#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iyl s ALA 3 N 0.00 -0.95 -0.41 0.00 0.00 -1.26 -1.92 121.76 117.22 3iyl s ALA 3 Ca 0.00 1.20 -0.08 0.00 0.00 0.00 0.00 51.96 53.08 3iyl s ALA 3 Cb 0.00 -0.71 0.08 0.00 0.00 0.00 0.00 23.12 22.49 3iyl s ALA 3 CO 0.00 -0.21 0.23 0.08 0.00 0.00 0.00 175.76 175.87 3iyl s VAL 4 N 0.61 4.01 0.00 0.00 1.01 -0.16 -4.66 120.40 121.22 3iyl s VAL 4 Ca -0.03 -1.48 0.00 0.00 0.00 0.00 0.00 61.98 60.46 3iyl s VAL 4 Cb -0.05 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.85 3iyl s VAL 4 CO -0.04 -0.50 0.00 0.49 0.00 0.00 0.00 175.10 175.05 3iyl n PHE 5 N 4.85 0.00 0.21 5.22 3.72 -1.17 -2.00 117.46 128.29 3iyl n PHE 5 Ca -0.09 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.42 3iyl n PHE 5 Cb 0.43 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 39.18 3iyl n PHE 5 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3iyl h GLY 6 N 0.00 0.00 -3.94 1.37 0.00 -1.11 -3.41 103.07 95.98 3iyl h GLY 6 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 3iyl h GLY 6 CO 0.00 0.00 0.31 -0.42 0.00 0.00 0.00 176.54 176.43 3iyl s ILE 7 N -3.24 4.26 -0.17 2.60 1.01 -0.85 -4.88 121.20 119.93 3iyl s ILE 7 Ca 0.06 1.99 -0.06 0.00 0.00 0.00 0.00 60.65 62.64 3iyl s ILE 7 Cb 0.06 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 3iyl s ILE 7 CO 0.67 0.46 0.04 -1.10 0.00 0.00 0.00 174.94 175.01 3iyl s GLN 8 N -0.85 3.81 -0.23 2.79 -1.52 -1.26 -0.98 119.66 121.42 3iyl s GLN 8 Ca 0.41 -0.37 -0.03 0.00 -1.95 0.00 0.00 55.36 53.43 3iyl s GLN 8 Cb -0.25 -3.13 0.00 0.00 -0.22 0.00 0.00 33.01 29.42 3iyl s GLN 8 CO 0.30 0.34 -0.06 -0.51 -0.25 0.00 0.00 175.29 175.11 3iyl s LEU 9 N 0.17 2.91 0.33 2.90 1.43 -0.81 -2.07 118.68 123.56 3iyl s LEU 9 Ca 0.03 -0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 52.32 3iyl s LEU 9 Cb -0.12 -1.70 -0.11 0.00 0.03 0.00 0.00 46.19 44.28 3iyl s LEU 9 CO 0.01 -0.05 1.52 0.68 0.23 0.00 0.00 176.35 178.74 3iyl s VAL 10 N 1.43 2.11 0.26 -1.59 -7.23 -0.25 -3.42 120.40 111.71 3iyl s VAL 10 Ca 0.05 0.10 -0.11 0.00 -1.81 0.00 0.00 61.98 60.21 3iyl s VAL 10 Cb -0.15 -3.07 0.37 0.00 0.56 0.00 0.00 36.38 34.10 3iyl s VAL 10 CO -0.04 0.02 1.57 -0.65 -0.31 0.00 0.00 175.10 175.68 3iyl h PRO 11 N 3.86 -0.01 -6.69 4.82 0.11 -1.92 -3.38 132.00 128.79 3iyl h PRO 11 Ca -0.49 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.10 3iyl h PRO 11 Cb 1.23 0.00 0.06 0.00 0.11 0.00 0.00 31.00 32.40 3iyl h PRO 11 CO 0.71 -0.00 0.86 0.15 -0.21 0.00 0.00 178.00 179.51 3iyl s LYS 12 N -6.18 4.20 -0.18 1.05 -0.14 -1.25 -3.11 119.74 114.13 3iyl s LYS 12 Ca -0.15 2.41 -0.08 0.00 -1.36 0.00 0.00 55.97 56.80 3iyl s LYS 12 Cb 0.24 -3.11 -0.04 0.00 -1.68 0.00 0.00 37.83 33.24 3iyl s LYS 12 CO 0.76 -0.58 0.10 -0.51 -0.76 0.00 0.00 175.35 174.36 3iyl s LEU 13 N 0.41 4.03 -0.20 3.17 1.43 0.20 -4.17 118.68 123.54 3iyl s LEU 13 Ca 0.66 0.19 -0.06 0.00 -1.03 0.00 0.00 54.13 53.89 3iyl s LEU 13 Cb -0.45 -2.02 0.10 0.00 0.03 0.00 0.00 46.19 43.85 3iyl s LEU 13 CO 0.38 0.21 0.41 0.21 0.23 0.00 0.00 176.35 177.78 3iyl s ASN 14 N 0.17 -0.17 0.14 2.29 2.47 0.83 -2.05 114.94 118.64 3iyl s ASN 14 Ca 0.07 0.87 0.03 0.00 0.42 0.00 0.00 52.86 54.25 3iyl s ASN 14 Cb -0.12 1.29 -0.04 0.00 -1.45 0.00 0.00 41.25 40.93 3iyl s ASN 14 CO -0.00 -0.24 -0.06 0.42 -3.72 0.00 0.00 177.10 173.50 3iyl s THR 15 N 2.60 0.88 0.64 -5.21 -4.23 -1.26 -4.43 115.64 104.62 3iyl s THR 15 Ca 0.01 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.34 3iyl s THR 15 Cb -0.12 -1.89 -0.02 0.00 1.34 0.00 0.00 72.50 71.81 3iyl s THR 15 CO -0.13 -0.69 1.28 -0.94 -0.54 0.00 0.00 174.62 173.59 3iyl s SER 16 N -3.14 4.73 0.00 3.99 1.04 -1.26 -4.70 113.70 114.36 3iyl s SER 16 Ca 0.18 2.57 0.16 0.00 0.48 0.00 0.00 55.95 59.34 3iyl s SER 16 Cb 0.05 -2.61 0.20 0.00 0.10 0.00 0.00 66.02 63.75 3iyl s SER 16 CO 0.00 -1.92 1.09 0.35 0.98 0.00 0.00 173.24 173.75 3iyl n THR 17 N -1.84 0.22 -3.77 2.02 -2.24 -1.26 -4.76 114.28 102.65 3iyl n THR 17 Ca 0.15 -0.61 -0.09 0.00 -2.27 0.00 0.00 64.05 61.23 3iyl n THR 17 Cb 0.48 1.16 -0.06 0.00 -2.10 0.00 0.00 70.33 69.81 3iyl n THR 17 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3iyl s THR 18 N -1.28 0.11 -0.10 4.28 -4.23 -1.26 -4.89 115.64 108.27 3iyl s THR 18 Ca 0.22 -0.95 0.03 0.00 -1.18 0.00 0.00 61.69 59.82 3iyl s THR 18 Cb 0.14 -1.31 0.00 0.00 1.34 0.00 0.00 72.50 72.68 3iyl s THR 18 CO 0.21 -0.49 -0.21 0.00 -0.54 0.00 0.00 174.62 173.59 3iyl s ARG 19 N -3.85 2.78 0.12 3.99 3.03 -1.24 -1.46 118.95 122.32 3iyl s ARG 19 Ca 0.05 -0.78 -0.31 0.00 2.03 0.00 0.00 55.73 56.72 3iyl s ARG 19 Cb 0.03 -2.14 -0.08 0.00 -1.03 0.00 0.00 34.95 31.73 3iyl s ARG 19 CO -0.10 0.12 1.36 -0.98 -1.13 0.00 0.00 175.30 174.57 3iyl s ARG 20 N 0.48 4.34 0.21 3.89 1.70 -0.93 -4.92 118.95 123.70 3iyl s ARG 20 Ca -0.16 2.05 -0.32 0.00 -0.47 0.00 0.00 55.73 56.82 3iyl s ARG 20 Cb -0.17 -3.25 -0.13 0.00 -0.57 0.00 0.00 34.95 30.83 3iyl s ARG 20 CO 0.06 -0.40 1.61 0.25 -1.08 0.00 0.00 175.30 175.74 3iyl n THR 21 N 3.83 0.30 -1.68 4.99 -2.24 -1.26 -4.78 114.28 113.44 3iyl n THR 21 Ca 0.11 -0.08 -0.47 0.00 -2.27 0.00 0.00 64.05 61.35 3iyl n THR 21 Cb 0.43 -1.75 -0.04 0.00 -2.10 0.00 0.00 70.33 66.87 3iyl n THR 21 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3iyl n PHE 22 N 3.18 2.38 -3.90 4.78 7.35 -1.26 -4.95 117.46 125.04 3iyl n PHE 22 Ca 0.14 -0.07 -0.36 0.00 -0.76 0.00 0.00 57.45 56.41 3iyl n PHE 22 Cb 0.32 -2.69 -0.13 0.00 0.35 0.00 0.00 39.48 37.34 3iyl n PHE 22 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 3iyl s LEU 23 N 3.88 3.31 -0.00 -2.13 0.20 -1.26 -5.09 118.68 117.59 3iyl s LEU 23 Ca 0.91 -0.22 -0.25 0.00 0.69 0.00 0.00 54.13 55.26 3iyl s LEU 23 Cb -0.63 -1.86 -0.04 0.00 -0.43 0.00 0.00 46.19 43.22 3iyl s LEU 23 CO 0.48 0.01 0.75 -2.16 -0.29 0.00 0.00 176.35 175.15 3iyl s PRO 24 N 1.33 4.47 0.19 0.98 0.04 -1.26 -5.01 135.00 135.74 3iyl s PRO 24 Ca 0.04 1.02 -0.32 0.00 0.04 0.00 0.00 61.00 61.78 3iyl s PRO 24 Cb -0.15 -3.40 -0.11 0.00 0.04 0.00 0.00 34.50 30.88 3iyl s PRO 24 CO 0.02 0.17 1.67 -1.17 0.04 0.00 0.00 177.00 177.72 3iyl s LEU 25 N 0.38 4.37 1.00 -3.56 2.96 -1.26 -4.85 118.68 117.72 3iyl s LEU 25 Ca 0.39 2.76 -0.12 0.00 -0.22 0.00 0.00 54.13 56.95 3iyl s LEU 25 Cb -0.19 -3.60 0.19 0.00 0.50 0.00 0.00 46.19 43.09 3iyl s LEU 25 CO 0.21 -0.92 1.08 -0.13 -1.32 0.00 0.00 176.35 175.28 3iyl s ARG 26 N 1.25 0.44 0.35 1.98 0.52 -1.26 -1.80 118.95 120.42 3iyl s ARG 26 Ca 0.73 0.87 0.15 0.00 -0.52 0.00 0.00 55.73 56.97 3iyl s ARG 26 Cb -0.47 -1.71 0.62 0.00 0.52 0.00 0.00 34.95 33.91 3iyl s ARG 26 CO 0.32 -2.82 1.73 0.35 0.02 0.00 0.00 175.30 174.90 3iyl h PHE 27 N -1.97 0.00 0.00 -0.53 3.04 -0.98 -2.68 116.94 113.82 3iyl h PHE 27 Ca -0.53 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.42 3iyl h PHE 27 Cb 1.30 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.81 3iyl h PHE 27 CO 0.37 0.44 -0.00 0.38 -2.02 0.00 0.00 178.31 177.48 3iyl h ASP 28 N 0.00 -0.00 -0.97 0.41 2.03 -1.85 -2.68 116.42 113.35 3iyl h ASP 28 Ca -0.00 -0.77 0.12 0.00 -0.73 0.00 0.00 57.03 55.65 3iyl h ASP 28 Cb 0.88 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 39.29 3iyl h ASP 28 CO 0.06 0.77 0.60 -0.07 -1.03 0.00 0.00 179.24 179.57 3iyl h LEU 29 N -0.77 0.87 -1.43 0.15 -0.00 -1.89 0.49 115.31 112.73 3iyl h LEU 29 Ca -0.00 0.05 -0.05 0.00 -0.00 0.00 0.00 57.88 57.89 3iyl h LEU 29 Cb 0.77 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.30 3iyl h LEU 29 CO 0.00 0.45 -0.12 0.25 -0.00 0.00 0.00 178.44 179.01 3iyl h LEU 30 N 0.93 0.21 -0.59 1.67 7.12 -1.53 0.14 115.31 123.26 3iyl h LEU 30 Ca 0.49 -0.04 -0.15 0.00 0.13 0.00 0.00 57.88 58.31 3iyl h LEU 30 Cb 0.51 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.57 3iyl h LEU 30 CO -0.28 0.36 -0.70 -0.07 -0.13 0.00 0.00 178.44 177.62 3iyl h LEU 31 N 0.21 0.04 0.14 2.25 -0.00 0.22 -2.67 115.31 115.50 3iyl h LEU 31 Ca 0.04 -0.03 -0.28 0.00 -0.00 0.00 0.00 57.88 57.62 3iyl h LEU 31 Cb 0.36 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 3iyl h LEU 31 CO 0.02 0.73 -1.39 0.44 -0.00 0.00 0.00 178.44 178.23 3iyl h ASP 32 N 0.02 0.45 -0.50 -0.43 3.32 -0.38 -1.91 116.42 116.99 3iyl h ASP 32 Ca -0.01 -0.88 0.10 0.00 0.02 0.00 0.00 57.03 56.26 3iyl h ASP 32 Cb 1.24 -0.15 -0.08 0.00 0.22 0.00 0.00 39.33 40.56 3iyl h ASP 32 CO 0.09 1.62 -0.01 -0.09 -1.72 0.00 0.00 179.24 179.14 3iyl h ARG 33 N -0.23 0.11 -0.27 3.56 2.43 -0.80 -2.11 114.38 117.06 3iyl h ARG 33 Ca -0.29 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 58.77 3iyl h ARG 33 Cb 1.82 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 31.34 3iyl h ARG 33 CO 0.10 0.07 -0.26 -0.07 -1.51 0.00 0.00 179.97 178.30 3iyl h LEU 34 N 0.11 0.70 -5.22 3.80 3.38 -1.58 -3.31 115.31 113.19 3iyl h LEU 34 Ca 0.25 -0.47 -0.75 0.00 0.09 0.00 0.00 57.88 57.01 3iyl h LEU 34 Cb 0.38 -0.20 -0.25 0.00 0.09 0.00 0.00 40.66 40.68 3iyl h LEU 34 CO -0.42 1.02 1.03 0.00 0.09 0.00 0.00 178.44 180.16 3iyl n GLN 35 N -4.31 3.31 -4.00 1.13 6.02 -0.72 -4.47 117.38 114.35 3iyl n GLN 35 Ca -0.04 -3.61 -0.21 0.00 -0.01 0.00 0.00 57.00 53.12 3iyl n GLN 35 Cb 0.45 -2.31 -0.02 0.00 1.02 0.00 0.00 30.24 29.38 3iyl n GLN 35 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3iyl s SER 36 N -0.92 6.17 0.13 1.08 1.04 -0.85 -4.85 113.70 115.50 3iyl s SER 36 Ca 0.50 0.01 -0.29 0.00 0.48 0.00 0.00 55.95 56.65 3iyl s SER 36 Cb 0.38 -1.77 -0.06 0.00 0.10 0.00 0.00 66.02 64.67 3iyl s SER 36 CO -0.33 -0.06 1.58 0.71 0.98 0.00 0.00 173.24 176.12 3iyl h THR 37 N 1.24 0.13 -3.26 2.02 1.35 -1.93 -3.39 112.91 109.08 3iyl h THR 37 Ca -0.51 0.00 -0.66 0.00 -0.55 0.00 0.00 66.41 64.68 3iyl h THR 37 Cb 1.23 0.13 -0.31 0.00 -1.73 0.00 0.00 68.15 67.48 3iyl h THR 37 CO 0.61 0.00 -0.80 0.21 -0.25 0.00 0.00 175.52 175.29 3iyl s ASN 38 N -4.89 3.68 0.22 5.36 2.47 -1.26 -4.99 114.94 115.53 3iyl s ASN 38 Ca -0.15 -0.49 0.08 0.00 0.42 0.00 0.00 52.86 52.72 3iyl s ASN 38 Cb 0.09 -1.58 0.15 0.00 -1.45 0.00 0.00 41.25 38.46 3iyl s ASN 38 CO 0.64 0.05 1.49 -0.07 -3.72 0.00 0.00 177.10 175.49 3iyl h LEU 39 N 7.58 0.04 -9.03 3.21 -0.00 -1.92 -3.40 115.31 111.80 3iyl h LEU 39 Ca -0.37 -0.03 -0.60 0.00 -0.00 0.00 0.00 57.88 56.88 3iyl h LEU 39 Cb 1.17 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 3iyl h LEU 39 CO 0.59 0.78 1.35 1.57 -0.00 0.00 0.00 178.44 182.73 3iyl n HIS 40 N -3.66 2.08 0.00 1.13 -0.00 -1.26 0.66 115.22 114.17 3iyl n HIS 40 Ca -0.01 -0.07 0.00 0.00 0.46 0.00 0.00 57.72 58.10 3iyl n HIS 40 Cb 0.73 -2.69 0.00 0.00 -0.12 0.00 0.00 29.99 27.91 3iyl n HIS 40 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3iyl n GLY 41 N 5.39 3.08 0.17 1.57 0.00 0.49 -4.80 105.19 111.10 3iyl n GLY 41 Ca 0.29 -0.88 -0.16 0.00 0.00 0.00 0.00 46.02 45.26 3iyl n GLY 41 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3iyl h VAL 42 N 0.00 1.36 0.00 1.61 2.07 -1.06 -3.43 116.25 116.79 3iyl h VAL 42 Ca 0.00 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.64 3iyl h VAL 42 Cb 0.00 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 3iyl h VAL 42 CO 0.00 0.57 -0.13 -0.11 0.02 0.00 0.00 177.57 177.92 3iyl n LEU 43 N -4.18 1.11 -4.71 2.57 7.94 0.21 -4.97 117.00 114.97 3iyl n LEU 43 Ca -0.08 0.15 -0.25 0.00 -1.11 0.00 0.00 56.01 54.72 3iyl n LEU 43 Cb 0.63 -0.37 -0.08 0.00 0.53 0.00 0.00 43.42 44.14 3iyl n LEU 43 CO 0.47 -0.67 -0.19 -0.72 -1.11 0.00 0.00 177.39 175.17 3iyl s TYR 44 N -2.02 2.60 -0.26 1.96 -0.85 -1.20 -1.01 117.35 116.57 3iyl s TYR 44 Ca -0.04 -0.55 -0.03 0.00 -0.52 0.00 0.00 57.07 55.93 3iyl s TYR 44 Cb 0.01 -1.85 0.15 0.00 0.38 0.00 0.00 41.96 40.64 3iyl s TYR 44 CO 0.06 0.26 0.46 0.50 -1.52 0.00 0.00 175.55 175.30 3iyl s ARG 45 N -3.86 0.42 -0.10 -3.49 3.52 -0.38 0.19 118.95 115.25 3iyl s ARG 45 Ca 0.39 0.74 -0.36 0.00 -0.13 0.00 0.00 55.73 56.37 3iyl s ARG 45 Cb 0.03 -0.08 -0.13 0.00 -1.56 0.00 0.00 34.95 33.21 3iyl s ARG 45 CO 0.22 -0.60 1.77 0.00 -0.81 0.00 0.00 175.30 175.88 3iyl n ALA 46 N 5.39 0.53 -0.09 6.12 0.00 -1.26 -2.24 120.51 128.95 3iyl n ALA 46 Ca -0.03 0.35 -0.12 0.00 0.00 0.00 0.00 53.44 53.64 3iyl n ALA 46 Cb 0.50 -2.38 -0.04 0.00 0.00 0.00 0.00 19.45 17.53 3iyl n ALA 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3iyl h LEU 47 N 7.96 0.54 -6.10 0.00 7.12 -1.65 -3.37 115.31 119.81 3iyl h LEU 47 Ca -0.47 -0.38 -0.57 0.00 0.13 0.00 0.00 57.88 56.59 3iyl h LEU 47 Cb 1.29 -0.15 -0.40 0.00 -0.53 0.00 0.00 40.66 40.87 3iyl h LEU 47 CO 0.93 0.79 -0.98 -0.90 -0.13 0.00 0.00 178.44 178.15 3iyl n ASP 48 N -4.51 0.92 -4.68 1.25 5.75 -1.25 -5.04 116.55 108.98 3iyl n ASP 48 Ca -0.03 -2.83 -0.42 0.00 -0.01 0.00 0.00 54.79 51.49 3iyl n ASP 48 Cb 0.32 -0.64 -0.03 0.00 -1.03 0.00 0.00 41.12 39.74 3iyl n ASP 48 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3iyl s PHE 49 N -1.35 2.95 -0.10 2.11 2.19 -1.26 -4.25 117.98 118.27 3iyl s PHE 49 Ca 0.36 0.96 -0.29 0.00 0.33 0.00 0.00 56.93 58.28 3iyl s PHE 49 Cb 0.15 -3.57 -0.01 0.00 -1.31 0.00 0.00 43.02 38.28 3iyl s PHE 49 CO -0.10 -2.01 1.00 1.21 1.83 0.00 0.00 175.22 177.16 3iyl s ASN 50 N 1.78 7.24 0.06 6.13 2.47 0.55 -4.97 114.94 128.21 3iyl s ASN 50 Ca 0.60 1.53 -0.36 0.00 0.42 0.00 0.00 52.86 55.05 3iyl s ASN 50 Cb -0.28 -2.55 -0.20 0.00 -1.45 0.00 0.00 41.25 36.77 3iyl s ASN 50 CO 0.24 -0.44 1.54 -0.65 -3.72 0.00 0.00 177.10 174.07 3iyl h PRO 51 N 7.10 -1.24 -0.40 0.43 0.11 -1.94 -3.28 132.00 132.79 3iyl h PRO 51 Ca -0.31 0.08 0.04 0.00 0.11 0.00 0.00 66.00 65.92 3iyl h PRO 51 Cb 1.15 0.28 -0.05 0.00 0.11 0.00 0.00 31.00 32.49 3iyl h PRO 51 CO 0.85 -0.82 -0.23 0.28 -0.21 0.00 0.00 178.00 177.86 3iyl n VAL 52 N -5.51 -0.27 -4.79 3.15 0.31 -1.26 -4.41 118.33 105.54 3iyl n VAL 52 Ca -0.16 1.39 -0.27 0.00 -0.01 0.00 0.00 64.34 65.29 3iyl n VAL 52 Cb 0.51 -1.76 -0.15 0.00 -0.91 0.00 0.00 33.84 31.54 3iyl n VAL 52 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3iyl s ASP 53 N -4.36 2.64 -0.78 4.52 1.01 -1.23 -5.02 116.67 113.44 3iyl s ASP 53 Ca -0.05 -0.51 -0.27 0.00 0.71 0.00 0.00 52.55 52.43 3iyl s ASP 53 Cb 0.04 -0.24 -0.24 0.00 1.01 0.00 0.00 42.92 43.49 3iyl s ASP 53 CO 0.25 0.20 1.93 0.54 0.21 0.00 0.00 175.17 178.29 3iyl n ARG 54 N 1.97 0.47 -4.36 8.23 1.74 -1.26 -4.27 116.66 119.17 3iyl n ARG 54 Ca -0.17 -1.67 -0.19 0.00 -0.77 0.00 0.00 57.85 55.06 3iyl n ARG 54 Cb 0.53 -3.43 -0.15 0.00 -1.02 0.00 0.00 32.46 28.40 3iyl n ARG 54 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3iyl s SER 55 N 7.44 1.06 -0.08 0.55 0.15 -1.26 -4.18 113.70 117.37 3iyl s SER 55 Ca 0.74 -0.16 -0.03 0.00 0.70 0.00 0.00 55.95 57.19 3iyl s SER 55 Cb 0.03 -0.14 0.05 0.00 -1.71 0.00 0.00 66.02 64.24 3iyl s SER 55 CO 0.22 0.10 0.14 0.00 1.20 0.00 0.00 173.24 174.90 3iyl s ALA 56 N -0.15 -0.06 0.05 5.45 0.00 -1.26 -0.33 121.76 125.47 3iyl s ALA 56 Ca 0.03 0.43 -0.30 0.00 0.00 0.00 0.00 51.96 52.12 3iyl s ALA 56 Cb -0.04 -0.81 -0.18 0.00 0.00 0.00 0.00 23.12 22.10 3iyl s ALA 56 CO -0.00 -0.60 1.50 1.15 0.00 0.00 0.00 175.76 177.81 3iyl h THR 57 N 6.38 0.45 -3.30 0.00 2.02 -1.85 -3.39 112.91 113.21 3iyl h THR 57 Ca -0.13 -0.16 -0.50 0.00 0.77 0.00 0.00 66.41 66.39 3iyl h THR 57 Cb 1.12 0.52 -0.18 0.00 -1.74 0.00 0.00 68.15 67.87 3iyl h THR 57 CO 0.16 0.03 -0.77 -0.69 0.37 0.00 0.00 175.52 174.61 3iyl s VAL 58 N -5.63 1.74 -0.10 3.16 1.01 -1.26 -2.52 120.40 116.80 3iyl s VAL 58 Ca -0.16 -1.92 -0.03 0.00 0.00 0.00 0.00 61.98 59.88 3iyl s VAL 58 Cb 0.03 -1.82 0.04 0.00 0.00 0.00 0.00 36.38 34.63 3iyl s VAL 58 CO 0.59 -0.36 0.04 -0.63 0.00 0.00 0.00 175.10 174.75 3iyl s ILE 59 N -2.15 0.15 0.07 2.22 1.01 -0.57 -1.67 121.20 120.27 3iyl s ILE 59 Ca 0.15 0.05 -0.24 0.00 0.00 0.00 0.00 60.65 60.61 3iyl s ILE 59 Cb -0.05 -0.50 -0.06 0.00 0.01 0.00 0.00 42.46 41.85 3iyl s ILE 59 CO 0.06 0.05 0.74 -1.58 0.00 0.00 0.00 174.94 174.20 3iyl s GLN 60 N 2.05 4.48 0.26 2.79 0.74 -0.95 -1.56 119.66 127.47 3iyl s GLN 60 Ca 0.03 1.03 0.09 0.00 0.05 0.00 0.00 55.36 56.57 3iyl s GLN 60 Cb -0.14 -3.32 -0.04 0.00 1.10 0.00 0.00 33.01 30.61 3iyl s GLN 60 CO -0.06 0.40 0.00 0.95 -0.55 0.00 0.00 175.29 176.03 3iyl s THR 61 N -0.44 3.50 0.46 -0.34 -4.23 -0.97 -1.25 115.64 112.38 3iyl s THR 61 Ca 0.36 -1.87 0.07 0.00 -1.18 0.00 0.00 61.69 59.08 3iyl s THR 61 Cb -0.21 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 70.77 3iyl s THR 61 CO 0.23 -0.36 0.42 -0.31 -0.54 0.00 0.00 174.62 174.06 3iyl s TYR 62 N -2.28 2.31 0.00 3.99 2.02 -0.18 -4.58 117.35 118.62 3iyl s TYR 62 Ca 0.31 -0.61 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 3iyl s TYR 62 Cb -0.07 -2.10 0.00 0.00 -0.40 0.00 0.00 41.96 39.39 3iyl s TYR 62 CO 0.20 -0.30 0.00 -0.35 -1.57 0.00 0.00 175.55 173.53 3iyl n PRO 63 N -1.66 0.00 0.00 -1.71 -0.04 -1.26 0.26 135.00 130.59 3iyl n PRO 63 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 3iyl n PRO 63 Cb 0.62 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.08 3iyl n PRO 63 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3iyl n PRO 64 N 0.00 0.00 -0.01 0.54 -0.04 -1.26 -1.42 135.00 132.80 3iyl n PRO 64 Ca 0.00 0.01 -0.02 0.00 -0.04 0.00 0.00 63.50 63.45 3iyl n PRO 64 Cb 0.00 -1.51 -0.01 0.00 -0.04 0.00 0.00 33.50 31.94 3iyl n PRO 64 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3iyl n LEU 65 N -0.81 2.94 0.28 1.53 7.94 -0.55 -4.60 117.00 123.73 3iyl n LEU 65 Ca 0.00 -0.02 0.18 0.00 -1.11 0.00 0.00 56.01 55.07 3iyl n LEU 65 Cb 0.01 -0.10 0.95 0.00 0.53 0.00 0.00 43.42 44.81 3iyl n LEU 65 CO 0.00 0.54 1.15 -0.55 -1.11 0.00 0.00 177.39 177.42 3iyl h ASN 66 N 0.00 0.00 -0.08 1.96 -1.07 0.10 -1.84 115.58 114.65 3iyl h ASN 66 Ca -0.07 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.29 3iyl h ASN 66 Cb 1.10 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.35 3iyl h ASN 66 CO -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 177.43 177.47 3iyl h ALA 67 N 1.79 0.11 -1.71 4.14 0.00 -1.80 0.54 119.26 122.33 3iyl h ALA 67 Ca 0.04 -0.21 -0.64 0.00 0.00 0.00 0.00 54.91 54.10 3iyl h ALA 67 Cb 0.32 -0.03 0.10 0.00 0.00 0.00 0.00 17.79 18.17 3iyl h ALA 67 CO -0.00 -0.17 0.09 1.87 0.00 0.00 0.00 179.25 181.04 3iyl n TRP 68 N -4.80 1.00 -3.79 0.00 -0.00 -0.69 -3.77 117.44 105.38 3iyl n TRP 68 Ca -0.07 0.74 -0.28 0.00 -0.00 0.00 0.00 57.50 57.89 3iyl n TRP 68 Cb 0.23 -2.21 -0.16 0.00 -0.00 0.00 0.00 31.31 29.16 3iyl n TRP 68 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 3iyl s SER 69 N -0.38 3.19 0.87 5.87 1.04 -1.26 -3.63 113.70 119.40 3iyl s SER 69 Ca 0.66 -0.93 -0.14 0.00 0.48 0.00 0.00 55.95 56.02 3iyl s SER 69 Cb -0.81 -0.77 -0.01 0.00 0.10 0.00 0.00 66.02 64.54 3iyl s SER 69 CO 0.56 -0.29 0.35 -2.65 0.98 0.00 0.00 173.24 172.20 3iyl n PRO 70 N 4.94 -0.06 -3.16 4.02 -0.02 -1.26 -4.94 135.00 134.51 3iyl n PRO 70 Ca -0.10 0.02 -0.22 0.00 -2.02 0.00 0.00 63.50 61.19 3iyl n PRO 70 Cb 0.46 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 3iyl n PRO 70 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3iyl s HIS 71 N -2.19 3.23 0.30 6.00 -3.43 -1.26 -4.86 115.29 113.07 3iyl s HIS 71 Ca 0.59 0.13 0.03 0.00 -0.80 0.00 0.00 55.06 55.01 3iyl s HIS 71 Cb -0.26 -2.18 0.77 0.00 -1.43 0.00 0.00 32.58 29.48 3iyl s HIS 71 CO 0.65 -0.21 1.63 1.12 -2.00 0.00 0.00 174.74 175.93 3iyl h HIS 72 N 0.57 0.31 -0.04 0.38 2.07 -2.00 -0.86 115.15 115.58 3iyl h HIS 72 Ca -0.47 0.05 0.01 0.00 -2.85 0.00 0.00 60.37 57.12 3iyl h HIS 72 Cb 1.25 0.01 -0.00 0.00 2.57 0.00 0.00 27.41 31.24 3iyl h HIS 72 CO 0.45 -0.28 0.07 0.00 -3.07 0.00 0.00 177.93 175.11 3iyl h ALA 73 N 1.84 1.42 0.07 6.11 0.00 -1.94 -1.83 119.26 124.92 3iyl h ALA 73 Ca 0.58 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 55.20 3iyl h ALA 73 Cb 1.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3iyl h ALA 73 CO -0.72 -0.10 -1.53 0.35 0.00 0.00 0.00 179.25 177.25 3iyl h PHE 74 N 0.00 0.26 0.29 0.00 3.57 -1.50 -3.37 116.94 116.19 3iyl h PHE 74 Ca 0.02 -0.19 -0.01 0.00 3.53 0.00 0.00 57.97 61.31 3iyl h PHE 74 Cb 0.17 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.90 3iyl h PHE 74 CO 0.00 1.25 -0.14 0.82 -2.23 0.00 0.00 178.31 178.02 3iyl h ILE 75 N 0.04 0.72 -3.05 1.41 2.04 -1.33 -3.35 117.51 113.98 3iyl h ILE 75 Ca -0.23 -0.62 -0.54 0.00 1.00 0.00 0.00 64.86 64.46 3iyl h ILE 75 Cb 1.98 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 39.09 3iyl h ILE 75 CO 0.13 0.12 0.70 -1.83 0.00 0.00 0.00 178.15 177.27 3iyl s GLU 76 N -4.63 4.35 -0.42 2.37 -1.05 -0.80 -3.52 118.70 114.99 3iyl s GLU 76 Ca -0.14 1.83 -0.02 0.00 -0.15 0.00 0.00 54.97 56.48 3iyl s GLU 76 Cb 0.02 -3.48 -0.03 0.00 -0.44 0.00 0.00 34.13 30.21 3iyl s GLU 76 CO 0.55 -0.43 0.37 -1.71 0.95 0.00 0.00 175.26 174.99 3iyl n ASN 77 N 4.79 -3.95 -4.75 0.83 5.15 -1.26 -4.80 115.26 111.26 3iyl n ASN 77 Ca 0.11 -0.27 -0.34 0.00 -0.60 0.00 0.00 54.58 53.48 3iyl n ASN 77 Cb 0.45 -2.47 0.06 0.00 -0.53 0.00 0.00 39.78 37.30 3iyl n ASN 77 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 3iyl s PRO 78 N -3.53 2.58 0.55 1.20 0.02 -1.23 -4.91 135.00 129.67 3iyl s PRO 78 Ca 0.18 1.57 -0.02 0.00 0.02 0.00 0.00 61.00 62.74 3iyl s PRO 78 Cb -0.02 -1.91 0.02 0.00 0.02 0.00 0.00 34.50 32.61 3iyl s PRO 78 CO 0.30 -1.46 0.81 -0.48 -0.33 0.00 0.00 177.00 175.84 3iyl s LEU 79 N -4.88 3.33 0.28 -5.54 2.34 -1.26 -4.15 118.68 108.81 3iyl s LEU 79 Ca 0.71 0.37 -0.04 0.00 0.06 0.00 0.00 54.13 55.22 3iyl s LEU 79 Cb -0.25 -3.20 -0.05 0.00 -0.56 0.00 0.00 46.19 42.13 3iyl s LEU 79 CO 0.42 -1.02 0.54 -1.81 -1.06 0.00 0.00 176.35 173.41 3iyl s ASP 80 N -4.33 6.43 0.18 1.48 1.01 -1.26 -0.84 116.67 119.35 3iyl s ASP 80 Ca 0.53 0.67 0.07 0.00 0.71 0.00 0.00 52.55 54.53 3iyl s ASP 80 Cb -0.10 -2.13 0.36 0.00 1.01 0.00 0.00 42.92 42.06 3iyl s ASP 80 CO 0.41 -0.19 1.03 0.00 0.21 0.00 0.00 175.17 176.63 3iyl n TYR 81 N -0.95 0.22 0.01 4.23 4.19 -1.26 -1.36 117.16 122.24 3iyl n TYR 81 Ca -0.02 0.12 -0.00 0.00 3.31 0.00 0.00 57.90 61.30 3iyl n TYR 81 Cb 0.54 -0.45 -0.00 0.00 0.49 0.00 0.00 39.34 39.92 3iyl n TYR 81 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3iyl h ARG 82 N 0.00 -0.02 0.00 2.98 3.08 -1.93 -3.19 114.38 115.30 3iyl h ARG 82 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3iyl h ARG 82 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3iyl h ARG 82 CO 0.00 -0.01 0.00 -0.40 -1.07 0.00 0.00 179.97 178.49 3iyl n ASP 83 N -2.13 0.38 -0.02 7.04 5.75 -0.84 -2.81 116.55 123.91 3iyl n ASP 83 Ca -0.00 0.59 -0.13 0.00 -0.01 0.00 0.00 54.79 55.24 3iyl n ASP 83 Cb 0.01 -0.67 -0.10 0.00 -1.03 0.00 0.00 41.12 39.33 3iyl n ASP 83 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 3iyl h TRP 84 N 0.00 0.07 -0.70 2.11 2.91 -1.33 1.06 115.95 120.07 3iyl h TRP 84 Ca 0.00 -0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.01 3iyl h TRP 84 Cb 0.31 -0.01 -0.04 0.00 -0.51 0.00 0.00 29.16 28.92 3iyl h TRP 84 CO 0.00 0.57 0.46 1.79 -1.03 0.00 0.00 178.44 180.23 3iyl h THR 85 N -0.45 1.18 -0.48 2.65 1.35 -1.51 -1.78 112.91 113.87 3iyl h THR 85 Ca 0.00 -0.33 -0.01 0.00 -0.55 0.00 0.00 66.41 65.52 3iyl h THR 85 Cb 0.56 0.14 -0.02 0.00 -1.73 0.00 0.00 68.15 67.10 3iyl h THR 85 CO 0.01 0.17 0.25 -0.08 -0.25 0.00 0.00 175.52 175.62 3iyl h GLU 86 N 0.95 0.67 0.17 4.72 4.81 -1.37 0.45 114.58 124.97 3iyl h GLU 86 Ca 0.26 -0.09 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3iyl h GLU 86 Cb -0.11 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.11 3iyl h GLU 86 CO -0.06 0.54 -0.32 0.35 -0.73 0.00 0.00 179.01 178.79 3iyl h PHE 87 N 0.63 -0.87 0.20 0.92 3.57 0.17 -1.76 116.94 119.80 3iyl h PHE 87 Ca 0.17 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 3iyl h PHE 87 Cb 0.07 0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.18 3iyl h PHE 87 CO -0.02 -0.43 -0.09 0.82 -2.23 0.00 0.00 178.31 176.36 3iyl h ILE 88 N -0.58 0.90 0.00 1.41 2.04 -1.24 0.69 117.51 120.73 3iyl h ILE 88 Ca 0.02 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.16 3iyl h ILE 88 Cb 0.58 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 3iyl h ILE 88 CO -0.16 0.16 0.53 0.45 0.00 0.00 0.00 178.15 179.13 3iyl h HIS 89 N -0.64 0.00 0.00 1.37 3.86 -0.07 0.64 115.15 120.31 3iyl h HIS 89 Ca -0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3iyl h HIS 89 Cb 0.46 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.93 3iyl h HIS 89 CO 0.04 0.00 -0.10 -3.47 0.86 0.00 0.00 177.93 175.26 3iyl n ASP 90 N -2.39 0.27 -0.20 2.45 -0.08 -0.67 -4.22 116.55 111.71 3iyl n ASP 90 Ca -0.01 0.22 0.12 0.00 -1.51 0.00 0.00 54.79 53.61 3iyl n ASP 90 Cb 0.55 -0.55 0.43 0.00 2.34 0.00 0.00 41.12 43.89 3iyl n ASP 90 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 3iyl h ARG 91 N -0.14 0.56 -0.83 -0.67 2.47 0.10 0.15 114.38 116.02 3iyl h ARG 91 Ca 0.00 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.66 3iyl h ARG 91 Cb 0.10 -0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 28.25 3iyl h ARG 91 CO 0.00 0.37 0.40 0.00 0.56 0.00 0.00 179.97 181.31 3iyl h ALA 92 N 1.62 1.15 0.31 0.04 0.00 0.01 0.11 119.26 122.51 3iyl h ALA 92 Ca 0.39 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3iyl h ALA 92 Cb 0.69 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3iyl h ALA 92 CO -0.15 0.65 -0.15 1.25 0.00 0.00 0.00 179.25 180.85 3iyl h LEU 93 N 1.18 -0.36 -2.40 0.00 5.85 -1.28 -2.74 115.31 115.56 3iyl h LEU 93 Ca 0.29 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3iyl h LEU 93 Cb 0.11 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3iyl h LEU 93 CO -0.04 0.12 0.19 0.00 -0.34 0.00 0.00 178.44 178.37 3iyl h ALA 94 N -0.83 1.19 0.22 1.25 0.00 -0.70 0.83 119.26 121.22 3iyl h ALA 94 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.52 3iyl h ALA 94 Cb 0.45 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.26 3iyl h ALA 94 CO 0.07 -0.19 -1.64 0.35 0.00 0.00 0.00 179.25 177.84 3iyl h PHE 95 N 0.00 0.84 -0.51 0.00 3.04 -0.79 -3.16 116.94 116.37 3iyl h PHE 95 Ca 0.00 -0.62 0.10 0.00 3.98 0.00 0.00 57.97 61.44 3iyl h PHE 95 Cb 0.38 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.83 3iyl h PHE 95 CO 0.00 1.64 0.35 0.28 -2.02 0.00 0.00 178.31 178.55 3iyl h VAL 96 N 0.13 0.86 0.58 1.41 2.07 -0.52 -1.35 116.25 119.42 3iyl h VAL 96 Ca -0.31 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 3iyl h VAL 96 Cb 2.14 0.61 0.01 0.00 -1.52 0.00 0.00 31.29 32.52 3iyl h VAL 96 CO 0.22 0.04 -0.28 1.23 0.02 0.00 0.00 177.57 178.80 3iyl h GLY 97 N 0.23 -0.82 -0.56 2.17 0.00 -1.44 0.28 103.07 102.92 3iyl h GLY 97 Ca 0.24 0.30 0.17 0.00 0.00 0.00 0.00 47.33 48.04 3iyl h GLY 97 CO -0.04 -0.30 -0.14 -2.08 0.00 0.00 0.00 176.54 173.98 3iyl h VAL 98 N -0.89 0.23 -0.06 4.60 2.07 -1.38 -0.31 116.25 120.51 3iyl h VAL 98 Ca -0.08 -0.01 -0.17 0.00 0.82 0.00 0.00 66.70 67.26 3iyl h VAL 98 Cb 0.60 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3iyl h VAL 98 CO 0.13 0.00 -0.70 0.25 0.02 0.00 0.00 177.57 177.28 3iyl h LEU 99 N 0.02 0.33 0.00 2.57 6.46 -1.25 -3.30 115.31 120.14 3iyl h LEU 99 Ca 0.40 -0.21 -0.15 0.00 -0.12 0.00 0.00 57.88 57.80 3iyl h LEU 99 Cb 0.66 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 3iyl h LEU 99 CO -0.79 0.92 -0.79 0.00 -0.62 0.00 0.00 178.44 177.17 3iyl h THR 100 N 0.19 1.11 0.00 1.05 1.03 0.81 -3.15 112.91 113.95 3iyl h THR 100 Ca -0.02 -2.61 0.00 0.00 -0.01 0.00 0.00 66.41 63.77 3iyl h THR 100 Cb 1.25 2.53 0.00 0.00 -1.07 0.00 0.00 68.15 70.86 3iyl h THR 100 CO 0.11 0.63 0.00 0.00 -0.01 0.00 0.00 175.52 176.25 3iyl n GLN 101 N -3.23 0.23 0.00 0.00 10.64 -0.25 -1.98 117.38 122.79 3iyl n GLN 101 Ca -0.00 0.35 0.11 0.00 -1.83 0.00 0.00 57.00 55.62 3iyl n GLN 101 Cb 0.82 -1.86 -0.02 0.00 -0.86 0.00 0.00 30.24 28.32 3iyl n GLN 101 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 3iyl n ARG 102 N -2.27 0.11 -3.11 2.61 3.00 -1.21 -4.64 116.66 111.15 3iyl n ARG 102 Ca 0.03 -0.02 -0.18 0.00 -0.00 0.00 0.00 57.85 57.69 3iyl n ARG 102 Cb 0.31 -1.52 -0.05 0.00 0.00 0.00 0.00 32.46 31.20 3iyl n ARG 102 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3iyl n TYR 103 N -1.65 -2.02 -1.43 -0.14 4.01 -0.84 -5.11 117.16 109.98 3iyl n TYR 103 Ca 0.03 -2.57 -0.56 0.00 -0.16 0.00 0.00 57.90 54.64 3iyl n TYR 103 Cb 0.37 0.70 -0.09 0.00 -0.31 0.00 0.00 39.34 40.01 3iyl n TYR 103 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3iyl n PRO 104 N 2.60 0.61 -0.25 -0.72 -0.04 -0.97 -4.70 135.00 131.53 3iyl n PRO 104 Ca 0.23 0.18 -0.01 0.00 -0.04 0.00 0.00 63.50 63.87 3iyl n PRO 104 Cb 0.52 -1.98 0.06 0.00 -0.04 0.00 0.00 33.50 32.06 3iyl n PRO 104 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3iyl h LEU 105 N 9.85 -0.87 -0.93 1.53 6.46 -1.85 -2.42 115.31 127.09 3iyl h LEU 105 Ca -0.25 0.23 0.27 0.00 -0.12 0.00 0.00 57.88 58.02 3iyl h LEU 105 Cb 1.36 0.51 -0.15 0.00 -0.73 0.00 0.00 40.66 41.65 3iyl h LEU 105 CO 1.03 -0.27 0.29 0.71 -0.62 0.00 0.00 178.44 179.59 3iyl h THR 106 N -0.05 0.24 0.12 1.05 1.35 -1.98 -2.24 112.91 111.39 3iyl h THR 106 Ca 0.32 -0.06 -0.33 0.00 -0.55 0.00 0.00 66.41 65.80 3iyl h THR 106 Cb 0.55 0.04 -0.01 0.00 -1.73 0.00 0.00 68.15 67.00 3iyl h THR 106 CO -0.76 0.03 -1.72 -0.61 -0.25 0.00 0.00 175.52 172.22 3iyl h GLN 107 N 0.18 0.25 -2.13 4.72 5.75 -1.82 -3.42 115.11 118.64 3iyl h GLN 107 Ca 0.62 -0.42 -0.58 0.00 -0.15 0.00 0.00 58.65 58.12 3iyl h GLN 107 Cb 1.33 0.16 -0.40 0.00 1.07 0.00 0.00 27.48 29.64 3iyl h GLN 107 CO -0.70 1.09 -0.85 0.27 -2.65 0.00 0.00 178.83 175.99 3iyl n ASN 108 N -3.43 1.90 -0.08 -0.69 6.94 -0.96 -4.80 115.26 114.15 3iyl n ASN 108 Ca -0.22 -3.05 -0.08 0.00 -0.02 0.00 0.00 54.58 51.22 3iyl n ASN 108 Cb 1.05 -0.65 -0.13 0.00 -2.36 0.00 0.00 39.78 37.69 3iyl n ASN 108 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3iyl n ALA 109 N 1.20 1.63 -0.03 -2.53 0.00 -0.89 -4.46 120.51 115.43 3iyl n ALA 109 Ca 0.25 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.63 3iyl n ALA 109 Cb 0.47 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.80 3iyl n ALA 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3iyl n GLN 110 N -2.59 0.90 -4.00 0.00 6.02 -1.26 -2.33 117.38 114.12 3iyl n GLN 110 Ca -0.26 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.44 3iyl n GLN 110 Cb 1.01 -1.05 -0.17 0.00 1.02 0.00 0.00 30.24 31.06 3iyl n GLN 110 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3iyl s ARG 111 N 0.18 2.00 0.08 -1.09 3.52 -1.26 -4.96 118.95 117.42 3iyl s ARG 111 Ca 0.00 -0.44 -0.31 0.00 -0.13 0.00 0.00 55.73 54.85 3iyl s ARG 111 Cb 0.00 -1.90 -0.09 0.00 -1.56 0.00 0.00 34.95 31.40 3iyl s ARG 111 CO 0.00 -0.24 1.80 0.71 -0.81 0.00 0.00 175.30 176.76 3iyl s TYR 112 N 1.55 2.05 0.73 5.12 2.02 -1.26 -1.94 117.35 125.62 3iyl s TYR 112 Ca 0.04 -0.00 -0.12 0.00 -0.37 0.00 0.00 57.07 56.62 3iyl s TYR 112 Cb -0.13 -4.12 0.04 0.00 -0.40 0.00 0.00 41.96 37.35 3iyl s TYR 112 CO -0.09 -4.69 1.09 0.95 -1.57 0.00 0.00 175.55 171.24 3iyl s THR 113 N 3.10 3.40 -0.50 -0.71 -4.23 -0.75 -2.44 115.64 113.51 3iyl s THR 113 Ca 0.80 0.50 -0.19 0.00 -1.18 0.00 0.00 61.69 61.62 3iyl s THR 113 Cb -0.43 -3.02 0.06 0.00 1.34 0.00 0.00 72.50 70.45 3iyl s THR 113 CO 0.36 -0.55 0.61 0.21 -0.54 0.00 0.00 174.62 174.71 3iyl s ASN 114 N -3.24 6.22 0.11 3.99 3.84 -0.85 -4.62 114.94 120.39 3iyl s ASN 114 Ca 0.62 -0.92 -0.10 0.00 0.21 0.00 0.00 52.86 52.67 3iyl s ASN 114 Cb -0.17 -2.28 0.09 0.00 -0.55 0.00 0.00 41.25 38.33 3iyl s ASN 114 CO 0.52 -0.88 0.78 -2.65 -2.79 0.00 0.00 177.10 172.09 3iyl n PRO 115 N 6.12 -0.14 0.12 0.43 -0.02 -1.26 -0.89 135.00 139.36 3iyl n PRO 115 Ca -0.07 0.78 -0.05 0.00 -2.02 0.00 0.00 63.50 62.14 3iyl n PRO 115 Cb 0.45 -1.15 -0.02 0.00 -0.02 0.00 0.00 33.50 32.76 3iyl n PRO 115 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3iyl h LEU 116 N 0.00 -0.25 -0.79 2.45 3.38 -1.93 -2.40 115.31 115.76 3iyl h LEU 116 Ca 0.16 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.28 3iyl h LEU 116 Cb 0.28 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.01 3iyl h LEU 116 CO -0.50 -0.17 0.37 1.62 0.09 0.00 0.00 178.44 179.85 3iyl h VAL 117 N -0.32 0.71 -0.97 1.22 3.04 -1.75 0.64 116.25 118.82 3iyl h VAL 117 Ca -0.03 -0.19 0.11 0.00 -1.01 0.00 0.00 66.70 65.59 3iyl h VAL 117 Cb 0.23 0.12 -0.08 0.00 -2.01 0.00 0.00 31.29 29.55 3iyl h VAL 117 CO 0.05 0.10 0.62 0.25 -1.01 0.00 0.00 177.57 177.57 3iyl h LEU 118 N 0.54 0.88 0.79 3.16 6.46 -1.05 1.46 115.31 127.55 3iyl h LEU 118 Ca 0.43 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 58.19 3iyl h LEU 118 Cb 0.62 -0.14 0.01 0.00 -0.73 0.00 0.00 40.66 40.41 3iyl h LEU 118 CO -0.37 0.49 -0.38 1.23 -0.62 0.00 0.00 178.44 178.79 3iyl h GLY 119 N 0.95 -1.11 1.54 3.75 0.00 -0.35 -0.91 103.07 106.95 3iyl h GLY 119 Ca 0.47 0.41 -0.01 0.00 0.00 0.00 0.00 47.33 48.20 3iyl h GLY 119 CO -0.23 -0.40 0.25 0.00 0.00 0.00 0.00 176.54 176.16 3iyl h ALA 120 N -1.27 1.59 0.00 3.60 0.00 -0.91 0.45 119.26 122.71 3iyl h ALA 120 Ca -0.11 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 3iyl h ALA 120 Cb 0.81 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3iyl h ALA 120 CO 0.18 0.35 -0.34 0.00 0.00 0.00 0.00 179.25 179.44 3iyl h ALA 121 N 1.65 1.31 0.11 0.00 0.00 0.21 0.43 119.26 122.97 3iyl h ALA 121 Ca 0.16 -0.31 -0.37 0.00 0.00 0.00 0.00 54.91 54.40 3iyl h ALA 121 Cb 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3iyl h ALA 121 CO -0.03 0.42 -2.05 0.34 0.00 0.00 0.00 179.25 177.94 3iyl n PHE 122 N -3.94 1.11 -0.09 0.00 -0.00 -0.35 -3.18 117.46 111.02 3iyl n PHE 122 Ca -0.02 0.24 -0.02 0.00 -0.00 0.00 0.00 57.45 57.65 3iyl n PHE 122 Cb 0.40 -1.14 0.22 0.00 -0.00 0.00 0.00 39.48 38.95 3iyl n PHE 122 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 3iyl h GLY 123 N 1.18 0.79 2.00 7.13 0.00 -0.11 -2.05 103.07 112.01 3iyl h GLY 123 Ca -0.44 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 46.30 3iyl h GLY 123 CO 0.06 0.44 -0.55 -0.55 0.00 0.00 0.00 176.54 175.94 3iyl h ASP 124 N 0.70 0.00 -0.38 0.19 5.19 -1.06 -2.64 116.42 118.42 3iyl h ASP 124 Ca 0.15 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.50 3iyl h ASP 124 Cb 0.34 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 3iyl h ASP 124 CO 0.01 0.55 0.00 0.15 -3.12 0.00 0.00 179.24 176.83 3iyl h PHE 125 N 0.00 0.74 0.05 4.55 3.04 -1.35 0.85 116.94 124.82 3iyl h PHE 125 Ca -0.01 -0.13 -0.00 0.00 3.98 0.00 0.00 57.97 61.81 3iyl h PHE 125 Cb 1.03 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 39.34 3iyl h PHE 125 CO 0.00 0.76 -0.03 -0.07 -2.02 0.00 0.00 178.31 176.96 3iyl h LEU 126 N 0.50 -0.06 0.00 0.59 3.38 -1.30 -0.74 115.31 117.68 3iyl h LEU 126 Ca 0.11 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3iyl h LEU 126 Cb 0.47 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3iyl h LEU 126 CO 0.02 0.10 0.00 0.59 0.09 0.00 0.00 178.44 179.24 3iyl n ASN 127 N -5.05 0.00 -1.75 -0.43 3.02 -1.00 -4.80 115.26 105.24 3iyl n ASN 127 Ca -0.08 0.07 -0.12 0.00 -0.03 0.00 0.00 54.58 54.42 3iyl n ASN 127 Cb 0.12 -0.14 0.02 0.00 -0.61 0.00 0.00 39.78 39.17 3iyl n ASN 127 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iyl n ALA 128 N -1.14 -0.53 -2.81 5.41 0.00 -0.28 -4.98 120.51 116.18 3iyl n ALA 128 Ca 0.02 0.16 -0.36 0.00 0.00 0.00 0.00 53.44 53.26 3iyl n ALA 128 Cb 0.02 -2.39 -0.06 0.00 0.00 0.00 0.00 19.45 17.02 3iyl n ALA 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3iyl s ARG 129 N -5.19 3.53 0.08 0.00 0.52 0.26 -5.02 118.95 113.13 3iyl s ARG 129 Ca 0.17 -0.09 -0.37 0.00 -0.52 0.00 0.00 55.73 54.93 3iyl s ARG 129 Cb -0.08 -3.14 -0.18 0.00 0.52 0.00 0.00 34.95 32.07 3iyl s ARG 129 CO 0.22 0.71 1.19 0.43 0.02 0.00 0.00 175.30 177.87 3iyl n SER 130 N 1.52 0.96 -0.91 0.23 7.64 -1.26 -4.39 113.62 117.41 3iyl n SER 130 Ca -0.15 1.14 0.07 0.00 1.01 0.00 0.00 58.87 60.94 3iyl n SER 130 Cb 0.54 -1.10 0.22 0.00 -1.01 0.00 0.00 64.21 62.86 3iyl n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3iyl n ILE 131 N 1.94 1.28 -0.02 0.44 3.06 -1.26 -4.74 119.36 120.06 3iyl n ILE 131 Ca 0.18 -1.14 -0.12 0.00 -2.50 0.00 0.00 62.75 59.17 3iyl n ILE 131 Cb 0.17 0.35 -0.06 0.00 0.54 0.00 0.00 39.64 40.64 3iyl n ILE 131 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 3iyl h ASP 132 N 2.61 -1.29 -0.81 9.51 5.19 -1.99 -3.10 116.42 126.54 3iyl h ASP 132 Ca 0.00 0.18 0.05 0.00 -0.62 0.00 0.00 57.03 56.63 3iyl h ASP 132 Cb 0.96 0.54 -0.05 0.00 0.18 0.00 0.00 39.33 40.95 3iyl h ASP 132 CO 0.06 -0.41 0.50 0.16 -3.12 0.00 0.00 179.24 176.43 3iyl h ILE 133 N -0.46 1.07 -0.78 0.35 3.07 -2.01 -3.02 117.51 115.74 3iyl h ILE 133 Ca 0.09 -0.33 0.01 0.00 1.55 0.00 0.00 64.86 66.18 3iyl h ILE 133 Cb 0.61 0.04 -0.04 0.00 -0.27 0.00 0.00 36.82 37.16 3iyl h ILE 133 CO -0.42 0.17 0.51 -0.26 -1.05 0.00 0.00 178.15 177.10 3iyl h PHE 134 N 0.95 0.99 -0.64 0.16 0.04 -1.90 -3.04 116.94 113.50 3iyl h PHE 134 Ca 0.34 0.02 0.06 0.00 2.80 0.00 0.00 57.97 61.19 3iyl h PHE 134 Cb 0.09 -0.33 -0.06 0.00 2.20 0.00 0.00 35.95 37.86 3iyl h PHE 134 CO -0.04 0.63 0.34 -0.07 -0.60 0.00 0.00 178.31 178.58 3iyl h LEU 135 N 1.06 0.49 -1.05 1.54 3.38 -1.55 -2.96 115.31 116.22 3iyl h LEU 135 Ca 0.28 0.03 0.39 0.00 0.09 0.00 0.00 57.88 58.68 3iyl h LEU 135 Cb -0.11 -0.06 -0.14 0.00 0.09 0.00 0.00 40.66 40.45 3iyl h LEU 135 CO -0.06 0.32 0.64 -0.90 0.09 0.00 0.00 178.44 178.53 3iyl n ASP 136 N -4.82 0.24 -2.46 -0.43 5.75 -1.15 -0.95 116.55 112.73 3iyl n ASP 136 Ca 0.08 1.31 -0.14 0.00 -0.01 0.00 0.00 54.79 56.03 3iyl n ASP 136 Cb 0.18 -0.64 0.03 0.00 -1.03 0.00 0.00 41.12 39.66 3iyl n ASP 136 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 3iyl n ARG 137 N -4.67 2.60 0.00 0.11 1.85 -1.12 -4.84 116.66 110.59 3iyl n ARG 137 Ca 0.34 -3.86 0.08 0.00 -1.00 0.00 0.00 57.85 53.41 3iyl n ARG 137 Cb 1.26 -1.90 0.43 0.00 -1.05 0.00 0.00 32.46 31.20 3iyl n ARG 137 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 3iyl n LEU 138 N -0.56 0.00 -4.34 2.89 0.00 -0.12 -4.72 117.00 110.15 3iyl n LEU 138 Ca 0.26 0.11 -0.17 0.00 0.00 0.00 0.00 56.01 56.21 3iyl n LEU 138 Cb 0.85 -0.11 -0.10 0.00 0.00 0.00 0.00 43.42 44.05 3iyl n LEU 138 CO 0.26 -0.06 -0.31 -0.36 0.00 0.00 0.00 177.39 176.92 3iyl s PHE 139 N -2.23 1.60 -0.27 1.96 0.40 -1.26 -2.01 117.98 116.17 3iyl s PHE 139 Ca 0.20 -0.98 -0.25 0.00 -0.60 0.00 0.00 56.93 55.29 3iyl s PHE 139 Cb 0.11 -0.95 0.13 0.00 0.51 0.00 0.00 43.02 42.81 3iyl s PHE 139 CO 0.20 -0.10 1.06 1.52 0.70 0.00 0.00 175.22 178.60 3iyl s TYR 140 N -3.48 -0.43 0.01 0.36 -0.85 -1.02 -4.76 117.35 107.18 3iyl s TYR 140 Ca 0.31 1.03 -0.30 0.00 -0.52 0.00 0.00 57.07 57.58 3iyl s TYR 140 Cb 0.07 0.38 -0.05 0.00 0.38 0.00 0.00 41.96 42.74 3iyl s TYR 140 CO 0.10 -0.22 1.23 0.34 -1.52 0.00 0.00 175.55 175.48 3iyl s ASP 141 N 0.08 7.03 0.51 -0.18 2.15 -1.26 -4.55 116.67 120.45 3iyl s ASP 141 Ca 0.03 1.96 0.41 0.00 0.43 0.00 0.00 52.55 55.38 3iyl s ASP 141 Cb -0.05 -2.57 1.60 0.00 -0.30 0.00 0.00 42.92 41.60 3iyl s ASP 141 CO -0.06 -0.55 1.62 -0.65 -0.17 0.00 0.00 175.17 175.36 3iyl h PRO 142 N 7.19 0.03 0.00 4.34 0.11 -1.97 -0.86 132.00 140.84 3iyl h PRO 142 Ca -0.38 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.73 3iyl h PRO 142 Cb 1.19 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3iyl h PRO 142 CO 0.85 0.02 -0.04 1.79 -0.21 0.00 0.00 178.00 180.41 3iyl h THR 143 N 0.03 0.89 -3.21 -1.15 1.35 -2.06 -3.40 112.91 105.36 3iyl h THR 143 Ca 0.84 0.00 -0.53 0.00 -0.55 0.00 0.00 66.41 66.17 3iyl h THR 143 Cb 3.11 0.89 0.01 0.00 -1.73 0.00 0.00 68.15 70.43 3iyl h THR 143 CO -0.17 0.00 0.61 -1.10 -0.25 0.00 0.00 175.52 174.61 3iyl s GLN 144 N -6.18 4.41 0.51 4.72 -0.21 -0.33 -4.94 119.66 117.64 3iyl s GLN 144 Ca -0.14 1.88 -0.19 0.00 0.02 0.00 0.00 55.36 56.93 3iyl s GLN 144 Cb 0.07 -3.29 -0.11 0.00 1.00 0.00 0.00 33.01 30.68 3iyl s GLN 144 CO 0.66 -0.27 0.46 -0.25 -2.12 0.00 0.00 175.29 173.77 3iyl n ASP 145 N 3.58 -1.27 -0.24 5.90 8.00 -1.26 -4.74 116.55 126.53 3iyl n ASP 145 Ca 0.09 0.78 -0.06 0.00 0.71 0.00 0.00 54.79 56.31 3iyl n ASP 145 Cb 0.45 -1.12 0.05 0.00 -0.02 0.00 0.00 41.12 40.48 3iyl n ASP 145 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 3iyl h SER 146 N 0.41 0.81 1.42 -2.24 0.87 -1.87 -1.99 113.55 110.96 3iyl h SER 146 Ca -0.43 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 3iyl h SER 146 Cb 1.40 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 3iyl h SER 146 CO 0.48 0.64 -0.12 1.55 -0.53 0.00 0.00 176.83 178.85 3iyl h PRO 147 N 0.91 0.00 0.14 2.24 0.13 -1.90 -3.32 132.00 130.21 3iyl h PRO 147 Ca 0.24 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 65.09 3iyl h PRO 147 Cb -0.02 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.14 3iyl h PRO 147 CO -0.04 0.00 -1.20 0.97 -0.23 0.00 0.00 178.00 177.50 3iyl h ILE 148 N 0.00 1.32 -0.34 -3.56 2.10 -1.76 -3.22 117.51 112.06 3iyl h ILE 148 Ca 0.00 -2.49 0.03 0.00 1.08 0.00 0.00 64.86 63.48 3iyl h ILE 148 Cb 0.77 2.83 -0.02 0.00 -1.09 0.00 0.00 36.82 39.31 3iyl h ILE 148 CO 0.00 0.75 0.23 0.74 -1.08 0.00 0.00 178.15 178.78 3iyl h THR 149 N 0.14 1.00 -0.22 2.19 2.02 -1.47 0.70 112.91 117.27 3iyl h THR 149 Ca -0.19 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 3iyl h THR 149 Cb 1.90 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.95 3iyl h THR 149 CO 0.23 0.06 0.01 0.00 0.37 0.00 0.00 175.52 176.19 3iyl h ALA 150 N 1.81 1.63 0.00 6.16 0.00 -1.68 -2.29 119.26 124.89 3iyl h ALA 150 Ca 0.14 -0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 3iyl h ALA 150 Cb 0.15 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3iyl h ALA 150 CO -0.03 0.28 -1.26 0.44 0.00 0.00 0.00 179.25 178.69 3iyl n ILE 151 N -4.37 1.52 -0.06 0.00 -5.35 0.12 -4.08 119.36 107.14 3iyl n ILE 151 Ca 0.00 -0.02 -0.07 0.00 -0.27 0.00 0.00 62.75 62.39 3iyl n ILE 151 Cb 0.18 -2.07 -0.01 0.00 -1.74 0.00 0.00 39.64 35.99 3iyl n ILE 151 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3iyl h THR 152 N -1.00 0.68 -0.99 7.28 1.03 0.12 -1.75 112.91 118.29 3iyl h THR 152 Ca -0.33 0.00 0.14 0.00 -0.01 0.00 0.00 66.41 66.21 3iyl h THR 152 Cb 1.24 0.68 -0.09 0.00 -1.07 0.00 0.00 68.15 68.91 3iyl h THR 152 CO -0.20 0.00 0.61 0.50 -0.01 0.00 0.00 175.52 176.42 3iyl h LYS 153 N -0.04 0.87 -1.46 0.00 1.63 -1.62 -3.44 116.57 112.51 3iyl h LYS 153 Ca 0.13 -0.05 0.11 0.00 -0.85 0.00 0.00 60.65 59.98 3iyl h LYS 153 Cb 0.24 -0.20 -0.28 0.00 -0.60 0.00 0.00 32.23 31.39 3iyl h LYS 153 CO -0.28 0.57 0.53 -0.06 -3.45 0.00 0.00 179.45 176.76 3iyl s PHE 154 N -5.93 -0.41 -1.05 1.91 0.08 -0.66 -5.05 117.98 106.87 3iyl s PHE 154 Ca -0.12 0.92 -0.02 0.00 0.12 0.00 0.00 56.93 57.84 3iyl s PHE 154 Cb 0.23 0.36 0.31 0.00 -0.57 0.00 0.00 43.02 43.35 3iyl s PHE 154 CO 0.80 -0.20 1.82 -2.30 -0.10 0.00 0.00 175.22 175.25 3iyl n PRO 155 N 2.57 5.30 -2.75 0.24 -0.02 -1.23 -4.34 135.00 134.77 3iyl n PRO 155 Ca -0.14 -4.58 -0.42 0.00 -2.02 0.00 0.00 63.50 56.33 3iyl n PRO 155 Cb 0.57 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 3iyl n PRO 155 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3iyl s TYR 156 N -3.97 2.69 -0.21 6.00 6.14 -1.00 -4.77 117.35 122.23 3iyl s TYR 156 Ca 0.39 -0.76 -0.01 0.00 0.64 0.00 0.00 57.07 57.33 3iyl s TYR 156 Cb 0.17 -4.45 0.15 0.00 0.42 0.00 0.00 41.96 38.25 3iyl s TYR 156 CO -0.10 -1.75 1.99 0.94 0.64 0.00 0.00 175.55 177.27 3iyl n GLN 157 N 7.98 1.54 0.00 4.97 7.27 -1.14 -1.92 117.38 136.06 3iyl n GLN 157 Ca 0.14 -1.05 0.00 0.00 0.07 0.00 0.00 57.00 56.16 3iyl n GLN 157 Cb 0.48 -1.41 0.00 0.00 2.41 0.00 0.00 30.24 31.72 3iyl n GLN 157 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 3iyl n TRP 158 N 0.70 0.00 -1.53 3.69 8.01 -1.26 -4.91 117.44 122.14 3iyl n TRP 158 Ca 0.20 0.00 -0.46 0.00 -1.31 0.00 0.00 57.50 55.93 3iyl n TRP 158 Cb 0.56 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.81 3iyl n TRP 158 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.69 174.31 3iyl n THR 159 N -1.99 0.24 -1.61 -0.99 5.66 -1.26 -4.88 114.28 109.45 3iyl n THR 159 Ca 0.00 -0.40 -0.47 0.00 -3.05 0.00 0.00 64.05 60.14 3iyl n THR 159 Cb 0.25 -2.17 -0.03 0.00 -1.55 0.00 0.00 70.33 66.83 3iyl n THR 159 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 3iyl n ILE 160 N 7.55 1.15 -1.03 1.09 5.41 -1.26 -1.75 119.36 130.51 3iyl n ILE 160 Ca 0.36 -0.29 -0.01 0.00 1.00 0.00 0.00 62.75 63.81 3iyl n ILE 160 Cb 0.36 -1.09 -0.00 0.00 -0.71 0.00 0.00 39.64 38.19 3iyl n ILE 160 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3iyl n ASP 161 N 1.87 -3.26 -2.67 4.38 8.00 -1.26 -4.86 116.55 118.75 3iyl n ASP 161 Ca 0.13 0.03 -0.04 0.00 0.71 0.00 0.00 54.79 55.61 3iyl n ASP 161 Cb 0.28 -0.85 0.07 0.00 -0.02 0.00 0.00 41.12 40.60 3iyl n ASP 161 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3iyl n SER 162 N 0.91 -1.41 -4.60 -2.24 2.88 -0.72 -4.15 113.62 104.28 3iyl n SER 162 Ca -0.01 -2.09 -0.43 0.00 -1.33 0.00 0.00 58.87 55.01 3iyl n SER 162 Cb 0.06 1.19 -0.02 0.00 -0.75 0.00 0.00 64.21 64.68 3iyl n SER 162 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 3iyl s ASN 163 N -0.45 6.44 -0.29 -3.46 0.01 -0.86 -4.60 114.94 111.73 3iyl s ASN 163 Ca 0.15 0.72 -0.12 0.00 -0.71 0.00 0.00 52.86 52.90 3iyl s ASN 163 Cb 0.23 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.30 3iyl s ASN 163 CO -0.11 -1.37 0.22 -0.69 -1.51 0.00 0.00 177.10 173.65 3iyl s VAL 164 N 5.09 5.29 0.00 1.60 1.01 -0.81 -0.99 120.40 131.58 3iyl s VAL 164 Ca 0.57 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.67 3iyl s VAL 164 Cb -0.12 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.67 3iyl s VAL 164 CO 0.32 0.18 0.00 0.35 0.00 0.00 0.00 175.10 175.95 3iyl n THR 165 N 5.08 0.00 -0.05 3.92 -2.24 0.36 -2.37 114.28 118.98 3iyl n THR 165 Ca -0.13 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.54 3iyl n THR 165 Cb 0.51 -0.68 0.03 0.00 -2.10 0.00 0.00 70.33 68.09 3iyl n THR 165 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3iyl h THR 166 N 0.23 1.29 0.00 4.28 1.35 -1.93 -3.37 112.91 114.77 3iyl h THR 166 Ca 0.00 -1.66 0.00 0.00 -0.55 0.00 0.00 66.41 64.20 3iyl h THR 166 Cb 0.00 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 3iyl h THR 166 CO 0.00 0.53 -1.11 -0.90 -0.25 0.00 0.00 175.52 173.79 3iyl n ASP 167 N -4.01 2.46 -4.09 5.36 5.75 -1.26 -4.88 116.55 115.88 3iyl n ASP 167 Ca -0.03 -0.17 -0.11 0.00 -0.01 0.00 0.00 54.79 54.47 3iyl n ASP 167 Cb 0.57 1.27 -0.11 0.00 -1.03 0.00 0.00 41.12 41.83 3iyl n ASP 167 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3iyl s SER 168 N -2.62 0.80 -0.45 -1.12 1.04 -1.26 0.11 113.70 110.20 3iyl s SER 168 Ca -0.01 -0.73 0.03 0.00 0.48 0.00 0.00 55.95 55.71 3iyl s SER 168 Cb 0.05 0.08 0.12 0.00 0.10 0.00 0.00 66.02 66.38 3iyl s SER 168 CO 0.33 -0.35 0.19 -0.69 0.98 0.00 0.00 173.24 173.70 3iyl s VAL 169 N -2.38 2.19 -0.59 5.02 1.01 0.30 -0.49 120.40 125.47 3iyl s VAL 169 Ca -0.02 -2.82 -0.28 0.00 0.00 0.00 0.00 61.98 58.86 3iyl s VAL 169 Cb -0.03 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.81 3iyl s VAL 169 CO -0.03 -0.76 1.41 -0.60 0.00 0.00 0.00 175.10 175.13 3iyl s ARG 170 N 0.25 3.25 0.15 2.72 3.52 -0.17 -2.84 118.95 125.84 3iyl s ARG 170 Ca 0.15 0.35 0.08 0.00 -0.13 0.00 0.00 55.73 56.19 3iyl s ARG 170 Cb -0.23 -4.14 -0.04 0.00 -1.56 0.00 0.00 34.95 28.97 3iyl s ARG 170 CO -0.04 -2.01 -0.19 0.95 -0.81 0.00 0.00 175.30 173.21 3iyl s THR 171 N 6.14 1.81 0.02 4.11 -4.23 -0.97 -2.03 115.64 120.49 3iyl s THR 171 Ca 0.50 -1.86 -0.30 0.00 -1.18 0.00 0.00 61.69 58.85 3iyl s THR 171 Cb -0.10 -1.80 -0.05 0.00 1.34 0.00 0.00 72.50 71.89 3iyl s THR 171 CO 0.23 -0.27 1.23 -0.55 -0.54 0.00 0.00 174.62 174.72 3iyl s SER 172 N -2.54 7.03 0.88 3.99 0.15 -1.26 -1.85 113.70 120.10 3iyl s SER 172 Ca 0.14 1.97 -0.15 0.00 0.70 0.00 0.00 55.95 58.61 3iyl s SER 172 Cb -0.06 -2.57 -0.06 0.00 -1.71 0.00 0.00 66.02 61.61 3iyl s SER 172 CO 0.06 -0.55 -0.05 0.00 1.20 0.00 0.00 173.24 173.91 3iyl n ALA 173 N 4.54 -3.46 -1.00 5.45 0.00 -1.23 -4.78 120.51 120.03 3iyl n ALA 173 Ca 0.10 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.03 3iyl n ALA 173 Cb 0.46 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3iyl n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iyl n GLY 174 N 2.33 -2.27 2.38 0.00 0.00 -1.25 -4.74 105.19 101.63 3iyl n GLY 174 Ca 0.04 -1.35 -0.20 0.00 0.00 0.00 0.00 46.02 44.51 3iyl n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iyl n LYS 176 N 1.90 0.00 -3.67 0.00 4.76 -1.26 -4.12 118.16 115.78 3iyl n LYS 176 Ca 0.21 0.04 -0.10 0.00 -2.87 0.00 0.00 58.31 55.59 3iyl n LYS 176 Cb 0.54 -1.54 -0.11 0.00 -1.84 0.00 0.00 35.03 32.08 3iyl n LYS 176 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3iyl s TYR 177 N -1.69 -0.66 0.03 2.13 2.02 -1.26 -2.30 117.35 115.63 3iyl s TYR 177 Ca 0.00 1.33 0.07 0.00 -0.37 0.00 0.00 57.07 58.11 3iyl s TYR 177 Cb 0.00 0.22 -0.03 0.00 -0.40 0.00 0.00 41.96 41.75 3iyl s TYR 177 CO 0.00 -0.41 -0.20 0.96 -1.57 0.00 0.00 175.55 174.33 3iyl s ILE 178 N 2.19 2.65 -0.31 2.71 -0.00 -0.60 -3.08 121.20 124.77 3iyl s ILE 178 Ca -0.04 -1.17 -0.04 0.00 -0.00 0.00 0.00 60.65 59.40 3iyl s ILE 178 Cb -0.11 -2.08 0.04 0.00 -0.00 0.00 0.00 42.46 40.31 3iyl s ILE 178 CO -0.12 0.39 0.04 0.42 -0.00 0.00 0.00 174.94 175.67 3iyl s THR 179 N -0.86 3.38 0.30 8.37 -4.23 -1.26 -1.51 115.64 119.82 3iyl s THR 179 Ca 0.13 -1.15 -0.29 0.00 -1.18 0.00 0.00 61.69 59.20 3iyl s THR 179 Cb -0.10 -2.87 -0.10 0.00 1.34 0.00 0.00 72.50 70.77 3iyl s THR 179 CO 0.04 -0.06 1.14 -0.76 -0.54 0.00 0.00 174.62 174.43 3iyl s LEU 180 N 1.35 4.50 -0.15 4.79 1.02 -1.05 -4.84 118.68 124.31 3iyl s LEU 180 Ca -0.02 2.35 -0.34 0.00 0.02 0.00 0.00 54.13 56.13 3iyl s LEU 180 Cb -0.19 -3.66 -0.16 0.00 0.02 0.00 0.00 46.19 42.20 3iyl s LEU 180 CO 0.00 -0.25 1.01 0.00 0.02 0.00 0.00 176.35 177.13 3iyl n TYR 181 N 1.03 0.84 0.00 0.29 4.19 -0.02 -3.17 117.16 120.32 3iyl n TYR 181 Ca -0.01 0.87 0.00 0.00 3.31 0.00 0.00 57.90 62.08 3iyl n TYR 181 Cb 0.44 -1.71 0.00 0.00 0.49 0.00 0.00 39.34 38.57 3iyl n TYR 181 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3iyl n GLY 182 N 1.92 1.61 3.74 2.98 0.00 -1.26 -4.75 105.19 109.43 3iyl n GLY 182 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 3iyl n GLY 182 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3iyl s TYR 183 N -2.00 3.26 -0.15 1.61 6.14 -1.19 -4.77 117.35 120.24 3iyl s TYR 183 Ca 0.00 0.24 -0.08 0.00 0.64 0.00 0.00 57.07 57.87 3iyl s TYR 183 Cb 0.00 -1.79 0.06 0.00 0.42 0.00 0.00 41.96 40.65 3iyl s TYR 183 CO 0.00 0.53 0.37 0.16 0.64 0.00 0.00 175.55 177.25 3iyl s ASP 184 N -1.19 -0.40 0.00 4.32 -4.77 -1.26 -5.00 116.67 108.36 3iyl s ASP 184 Ca 0.17 0.80 0.21 0.00 -3.30 0.00 0.00 52.55 50.42 3iyl s ASP 184 Cb -0.12 0.72 1.17 0.00 -1.09 0.00 0.00 42.92 43.61 3iyl s ASP 184 CO 0.06 -0.19 1.65 -0.81 0.70 0.00 0.00 175.17 176.58 3iyl n PRO 185 N 4.39 0.51 0.39 2.11 -0.04 -1.26 -3.65 135.00 137.44 3iyl n PRO 185 Ca -0.22 0.04 -0.15 0.00 -0.04 0.00 0.00 63.50 63.13 3iyl n PRO 185 Cb 0.54 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.43 3iyl n PRO 185 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3iyl h SER 186 N 0.00 -0.84 -2.66 3.54 0.87 -1.94 -3.44 113.55 109.08 3iyl h SER 186 Ca 0.00 0.03 -0.58 0.00 -1.23 0.00 0.00 61.79 60.00 3iyl h SER 186 Cb 0.08 0.22 0.08 0.00 -0.44 0.00 0.00 62.40 62.34 3iyl h SER 186 CO 0.00 -0.55 0.60 0.54 -0.53 0.00 0.00 176.83 176.90 3iyl n ARG 187 N -4.96 2.01 0.20 2.24 1.74 -1.24 -4.86 116.66 111.79 3iyl n ARG 187 Ca -0.12 0.72 0.14 0.00 -0.77 0.00 0.00 57.85 57.82 3iyl n ARG 187 Cb 0.39 -2.37 0.55 0.00 -1.02 0.00 0.00 32.46 30.01 3iyl n ARG 187 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3iyl h PRO 188 N 4.17 0.00 0.13 5.56 0.11 -1.92 -3.25 132.00 136.80 3iyl h PRO 188 Ca -0.45 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.37 3iyl h PRO 188 Cb 1.28 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.42 3iyl h PRO 188 CO 0.75 0.00 -1.21 0.77 -0.21 0.00 0.00 178.00 178.10 3iyl h SER 189 N 0.00 0.83 -2.43 -2.05 0.02 -1.96 -1.83 113.55 106.13 3iyl h SER 189 Ca 0.00 -0.84 -0.61 0.00 -0.84 0.00 0.00 61.79 59.50 3iyl h SER 189 Cb 0.51 -0.26 0.10 0.00 0.14 0.00 0.00 62.40 62.89 3iyl h SER 189 CO 0.00 1.59 0.20 0.35 -1.14 0.00 0.00 176.83 177.84 3iyl n THR 190 N -3.84 1.73 -1.83 -2.27 -2.24 -1.23 -4.72 114.28 99.89 3iyl n THR 190 Ca -0.14 -0.43 -0.41 0.00 -2.27 0.00 0.00 64.05 60.79 3iyl n THR 190 Cb 0.97 -1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 68.16 3iyl n THR 190 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3iyl s PRO 191 N -1.29 4.15 -0.43 -0.78 0.04 -1.26 -2.61 135.00 132.83 3iyl s PRO 191 Ca 0.62 2.52 -0.29 0.00 0.04 0.00 0.00 61.00 63.89 3iyl s PRO 191 Cb -0.72 -3.04 -0.09 0.00 0.04 0.00 0.00 34.50 30.70 3iyl s PRO 191 CO 0.58 -0.58 2.35 0.00 0.04 0.00 0.00 177.00 179.38 3iyl n ALA 192 N 2.12 1.09 0.08 8.56 0.00 -0.67 -4.59 120.51 127.09 3iyl n ALA 192 Ca 0.07 -0.52 -0.06 0.00 0.00 0.00 0.00 53.44 52.94 3iyl n ALA 192 Cb 0.38 -2.93 -0.06 0.00 0.00 0.00 0.00 19.45 16.84 3iyl n ALA 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iyl h THR 193 N 7.46 1.65 -0.40 0.00 1.03 -1.89 -3.47 112.91 117.29 3iyl h THR 193 Ca -0.28 -3.15 -0.12 0.00 -0.01 0.00 0.00 66.41 62.85 3iyl h THR 193 Cb 1.27 2.70 -0.04 0.00 -1.07 0.00 0.00 68.15 71.02 3iyl h THR 193 CO 1.10 0.90 -0.12 -1.22 -0.01 0.00 0.00 175.52 176.16 3iyl n TYR 194 N -3.43 -0.06 0.00 0.00 4.01 -1.26 -3.19 117.16 113.22 3iyl n TYR 194 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3iyl n TYR 194 Cb 0.87 -1.46 0.00 0.00 -0.31 0.00 0.00 39.34 38.44 3iyl n TYR 194 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iyl n GLY 195 N -2.00 2.91 0.00 2.72 0.00 -1.26 -4.83 105.19 102.73 3iyl n GLY 195 Ca -0.06 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.00 3iyl n GLY 195 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iyl n LYS 196 N -1.99 0.14 0.15 1.61 4.01 -1.19 -0.94 118.16 119.95 3iyl n LYS 196 Ca 0.00 0.19 0.13 0.00 -0.51 0.00 0.00 58.31 58.12 3iyl n LYS 196 Cb 0.00 -1.50 0.52 0.00 -0.51 0.00 0.00 35.03 33.54 3iyl n LYS 196 CO 0.00 0.00 0.00 1.12 -1.11 0.00 0.00 177.40 177.41 3iyl h HIS 197 N 0.00 0.00 -4.36 2.13 2.07 -1.77 -3.38 115.15 109.85 3iyl h HIS 197 Ca 0.00 0.00 -0.50 0.00 -2.85 0.00 0.00 60.37 57.02 3iyl h HIS 197 Cb 0.09 0.00 0.09 0.00 2.57 0.00 0.00 27.41 30.16 3iyl h HIS 197 CO 0.00 0.00 0.38 0.50 -3.07 0.00 0.00 177.93 175.74 3iyl s ARG 198 N -3.37 2.73 -0.15 5.12 6.06 -0.11 -4.58 118.95 124.65 3iyl s ARG 198 Ca 0.03 0.68 -0.22 0.00 -2.50 0.00 0.00 55.73 53.73 3iyl s ARG 198 Cb 0.09 -1.99 -0.19 0.00 0.06 0.00 0.00 34.95 32.92 3iyl s ARG 198 CO 0.40 -1.17 0.45 -1.35 -2.50 0.00 0.00 175.30 171.13 3iyl h PRO 199 N -0.76 0.00 -3.37 5.12 0.11 -1.86 -3.43 132.00 127.80 3iyl h PRO 199 Ca -0.45 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 64.97 3iyl h PRO 199 Cb 1.24 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 31.99 3iyl h PRO 199 CO 0.60 0.79 -0.26 -0.08 -0.21 0.00 0.00 178.00 178.84 3iyl s THR 200 N -2.16 3.91 -0.06 -1.15 -1.32 -1.26 -4.75 115.64 108.85 3iyl s THR 200 Ca -0.19 -3.60 0.10 0.00 -1.21 0.00 0.00 61.69 56.79 3iyl s THR 200 Cb 0.00 -3.48 -0.15 0.00 -1.51 0.00 0.00 72.50 67.36 3iyl s THR 200 CO 0.53 -1.00 0.24 0.00 -2.21 0.00 0.00 174.62 172.18 3iyl n TYR 201 N 2.69 0.00 -4.24 9.09 0.18 -1.26 -4.78 117.16 118.85 3iyl n TYR 201 Ca 0.16 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.77 3iyl n TYR 201 Cb 0.37 -0.21 -0.08 0.00 -0.38 0.00 0.00 39.34 39.04 3iyl n TYR 201 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3iyl s ALA 202 N -2.62 1.56 -0.41 -3.48 0.00 -1.26 -0.96 121.76 114.59 3iyl s ALA 202 Ca -0.03 -1.92 0.05 0.00 0.00 0.00 0.00 51.96 50.06 3iyl s ALA 202 Cb 0.07 1.42 0.17 0.00 0.00 0.00 0.00 23.12 24.77 3iyl s ALA 202 CO 0.42 -0.67 0.46 0.99 0.00 0.00 0.00 175.76 176.96 3iyl s THR 203 N -3.53 -0.44 -0.19 0.00 2.01 -0.57 -3.47 115.64 109.45 3iyl s THR 203 Ca 0.39 -1.08 -0.29 0.00 0.31 0.00 0.00 61.69 61.02 3iyl s THR 203 Cb 0.03 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 3iyl s THR 203 CO 0.24 -0.50 1.73 -0.69 -0.69 0.00 0.00 174.62 174.70 3iyl s VAL 204 N 1.21 3.53 -0.39 3.82 1.01 -0.77 -2.75 120.40 126.06 3iyl s VAL 204 Ca 0.21 0.60 -0.14 0.00 0.00 0.00 0.00 61.98 62.66 3iyl s VAL 204 Cb -0.09 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.77 3iyl s VAL 204 CO -0.06 -0.22 0.27 -0.36 0.00 0.00 0.00 175.10 174.73 3iyl s PHE 205 N 5.47 3.24 -0.02 5.22 0.08 -1.22 -2.28 117.98 128.48 3iyl s PHE 205 Ca 0.77 -0.65 -0.20 0.00 0.12 0.00 0.00 56.93 56.97 3iyl s PHE 205 Cb -0.28 -2.54 -0.05 0.00 -0.57 0.00 0.00 43.02 39.58 3iyl s PHE 205 CO 0.31 -0.58 0.57 0.71 -0.10 0.00 0.00 175.22 176.13 3iyl s TYR 206 N 1.65 3.67 0.16 0.36 2.02 -1.13 0.08 117.35 124.16 3iyl s TYR 206 Ca 0.04 1.15 0.11 0.00 -0.37 0.00 0.00 57.07 58.00 3iyl s TYR 206 Cb -0.19 -2.58 -0.04 0.00 -0.40 0.00 0.00 41.96 38.75 3iyl s TYR 206 CO 0.09 0.35 -0.23 1.52 -1.57 0.00 0.00 175.55 175.72 3iyl s TYR 207 N -0.17 2.37 -0.13 2.71 1.13 -0.93 -0.53 117.35 121.79 3iyl s TYR 207 Ca 0.30 -0.34 -0.13 0.00 -1.41 0.00 0.00 57.07 55.49 3iyl s TYR 207 Cb -0.18 -1.22 -0.11 0.00 -1.10 0.00 0.00 41.96 39.35 3iyl s TYR 207 CO 0.16 0.43 0.27 0.66 -2.51 0.00 0.00 175.55 174.56 3iyl h SER 208 N 3.47 0.00 -3.19 -0.18 4.64 0.38 -3.42 113.55 115.25 3iyl h SER 208 Ca -0.48 -0.40 -0.48 0.00 -0.47 0.00 0.00 61.79 59.96 3iyl h SER 208 Cb 1.19 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.14 3iyl h SER 208 CO 0.45 0.80 -0.62 0.42 -0.87 0.00 0.00 176.83 177.01 3iyl s THR 209 N -1.94 1.26 0.15 2.95 -4.23 -1.26 -5.02 115.64 107.56 3iyl s THR 209 Ca -0.11 -2.02 -0.16 0.00 -1.18 0.00 0.00 61.69 58.23 3iyl s THR 209 Cb -0.00 -2.74 0.02 0.00 1.34 0.00 0.00 72.50 71.12 3iyl s THR 209 CO 0.32 -0.05 1.80 -0.07 -0.54 0.00 0.00 174.62 176.08 3iyl h LEU 210 N 2.14 0.49 -1.89 4.79 3.38 -1.99 -1.34 115.31 120.89 3iyl h LEU 210 Ca -0.41 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 3iyl h LEU 210 Cb 1.24 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 3iyl h LEU 210 CO 0.70 0.38 -0.10 1.55 0.09 0.00 0.00 178.44 181.05 3iyl h PRO 211 N 0.56 0.00 0.00 1.13 0.13 -2.00 0.18 132.00 131.99 3iyl h PRO 211 Ca 0.15 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.22 3iyl h PRO 211 Cb -0.03 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.09 3iyl h PRO 211 CO -0.03 0.10 -0.27 0.00 -0.23 0.00 0.00 178.00 177.57 3iyl h ALA 212 N 1.90 1.35 0.25 -0.56 0.00 -1.67 -2.73 119.26 117.80 3iyl h ALA 212 Ca -0.00 -0.24 -0.33 0.00 0.00 0.00 0.00 54.91 54.33 3iyl h ALA 212 Cb 0.19 -0.04 0.04 0.00 0.00 0.00 0.00 17.79 17.97 3iyl h ALA 212 CO 0.01 0.34 -1.47 -0.09 0.00 0.00 0.00 179.25 178.04 3iyl h ARG 213 N 0.00 0.53 -0.19 0.00 2.43 0.25 -3.00 114.38 114.41 3iyl h ARG 213 Ca -0.00 -0.91 0.03 0.00 -0.81 0.00 0.00 59.98 58.29 3iyl h ARG 213 Cb 0.54 0.34 -0.03 0.00 -0.42 0.00 0.00 29.97 30.40 3iyl h ARG 213 CO 0.03 1.43 -0.00 0.77 -1.51 0.00 0.00 179.97 180.70 3iyl h SER 214 N 0.15 -0.08 -0.42 -3.80 0.02 -1.08 0.31 113.55 108.65 3iyl h SER 214 Ca -0.25 0.04 0.12 0.00 -0.84 0.00 0.00 61.79 60.86 3iyl h SER 214 Cb 2.16 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 64.76 3iyl h SER 214 CO 0.27 -0.01 0.31 -0.09 -1.14 0.00 0.00 176.83 176.17 3iyl h ARG 215 N 0.06 0.01 0.17 3.45 1.12 -1.57 0.53 114.38 118.15 3iyl h ARG 215 Ca 0.09 -0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.95 3iyl h ARG 215 Cb 0.11 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.07 3iyl h ARG 215 CO -0.15 0.01 -0.08 -0.07 -3.11 0.00 0.00 179.97 176.56 3iyl h LEU 216 N 0.01 -0.20 -0.63 3.80 3.38 -0.89 -2.84 115.31 117.93 3iyl h LEU 216 Ca 0.20 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.31 3iyl h LEU 216 Cb 0.80 0.05 -0.12 0.00 0.09 0.00 0.00 40.66 41.48 3iyl h LEU 216 CO -0.00 0.13 -0.15 -0.07 0.09 0.00 0.00 178.44 178.43 3iyl h LEU 217 N -0.78 -0.58 -0.50 1.67 -0.00 -0.78 0.73 115.31 115.08 3iyl h LEU 217 Ca -0.02 0.19 0.10 0.00 -0.00 0.00 0.00 57.88 58.15 3iyl h LEU 217 Cb 0.18 0.39 -0.09 0.00 -0.00 0.00 0.00 40.66 41.14 3iyl h LEU 217 CO 0.04 -0.21 -0.05 0.00 -0.00 0.00 0.00 178.44 178.22 3iyl h ALA 218 N 1.63 0.42 -0.10 1.53 0.00 -1.02 -1.32 119.26 120.40 3iyl h ALA 218 Ca 0.31 0.17 -0.11 0.00 0.00 0.00 0.00 54.91 55.28 3iyl h ALA 218 Cb 0.47 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3iyl h ALA 218 CO -0.65 -0.41 -0.42 -0.97 0.00 0.00 0.00 179.25 176.80 3iyl h ASN 219 N 0.06 0.23 -0.82 0.00 -0.73 -0.68 -3.15 115.58 110.49 3iyl h ASN 219 Ca 0.25 -0.10 -0.52 0.00 1.87 0.00 0.00 56.30 57.80 3iyl h ASN 219 Cb 0.38 -0.06 -0.28 0.00 0.27 0.00 0.00 38.32 38.62 3iyl h ASN 219 CO -0.46 0.63 0.32 0.00 -0.37 0.00 0.00 177.43 177.55 3iyl n LEU 220 N -4.02 6.28 0.09 0.34 -0.00 -0.20 -4.61 117.00 114.88 3iyl n LEU 220 Ca -0.02 -4.13 0.12 0.00 -0.00 0.00 0.00 56.01 51.99 3iyl n LEU 220 Cb 0.48 -0.76 0.45 0.00 -0.00 0.00 0.00 43.42 43.59 3iyl n LEU 220 CO 0.42 1.46 0.88 0.00 -0.00 0.00 0.00 177.39 180.14 3iyl n ALA 221 N -0.97 2.06 0.09 1.47 0.00 -0.58 -3.08 120.51 119.50 3iyl n ALA 221 Ca 0.53 -0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.94 3iyl n ALA 221 Cb 1.01 -1.43 -0.06 0.00 0.00 0.00 0.00 19.45 18.98 3iyl n ALA 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iyl h ALA 222 N 2.52 0.51 -2.78 0.00 0.00 -1.87 -3.42 119.26 114.22 3iyl h ALA 222 Ca 0.00 -0.73 -0.54 0.00 0.00 0.00 0.00 54.91 53.64 3iyl h ALA 222 Cb 0.55 -0.09 0.09 0.00 0.00 0.00 0.00 17.79 18.35 3iyl h ALA 222 CO 0.00 0.98 0.83 0.41 0.00 0.00 0.00 179.25 181.47 3iyl n GLY 223 N 1.30 1.25 0.13 0.00 0.00 -1.18 -4.88 105.19 101.82 3iyl n GLY 223 Ca -0.00 0.42 -0.01 0.00 0.00 0.00 0.00 46.02 46.43 3iyl n GLY 223 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3iyl n PRO 224 N 1.67 -0.09 -3.52 1.61 -0.02 -1.26 -4.64 135.00 128.74 3iyl n PRO 224 Ca 0.07 0.53 -0.09 0.00 -2.02 0.00 0.00 63.50 61.99 3iyl n PRO 224 Cb 0.37 -0.78 -0.03 0.00 -0.02 0.00 0.00 33.50 33.04 3iyl n PRO 224 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3iyl s THR 225 N -5.30 0.00 -0.25 3.45 2.01 -1.26 -4.47 115.64 109.83 3iyl s THR 225 Ca -0.05 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.94 3iyl s THR 225 Cb 0.06 -1.00 0.07 0.00 0.01 0.00 0.00 72.50 71.65 3iyl s THR 225 CO 0.24 0.00 0.03 -0.69 -0.69 0.00 0.00 174.62 173.51 3iyl s VAL 226 N -2.70 0.94 0.30 3.82 1.01 -1.22 -4.16 120.40 118.39 3iyl s VAL 226 Ca 0.04 -1.05 -0.20 0.00 0.00 0.00 0.00 61.98 60.77 3iyl s VAL 226 Cb -0.01 -1.48 -0.09 0.00 0.00 0.00 0.00 36.38 34.80 3iyl s VAL 226 CO -0.07 -0.35 0.81 -0.76 0.00 0.00 0.00 175.10 174.74 3iyl s LEU 227 N 1.64 4.21 -0.15 3.92 1.43 -0.61 -0.15 118.68 128.97 3iyl s LEU 227 Ca 0.02 1.51 -0.11 0.00 -1.03 0.00 0.00 54.13 54.52 3iyl s LEU 227 Cb -0.18 -3.95 0.05 0.00 0.03 0.00 0.00 46.19 42.14 3iyl s LEU 227 CO -0.13 -0.11 0.37 -0.70 0.23 0.00 0.00 176.35 176.01 3iyl s GLU 228 N -2.43 0.39 -0.52 1.70 2.12 -0.27 -1.91 118.70 117.78 3iyl s GLU 228 Ca 0.50 0.61 -0.26 0.00 0.36 0.00 0.00 54.97 56.19 3iyl s GLU 228 Cb -0.14 0.09 0.03 0.00 0.26 0.00 0.00 34.13 34.37 3iyl s GLU 228 CO 0.19 -0.10 0.99 -1.01 -0.54 0.00 0.00 175.26 174.80 3iyl s HIS 229 N 0.75 2.80 0.13 5.30 3.76 -1.26 -3.37 115.29 123.41 3iyl s HIS 229 Ca -0.05 0.25 -0.02 0.00 -0.15 0.00 0.00 55.06 55.09 3iyl s HIS 229 Cb -0.06 -4.14 -0.09 0.00 1.11 0.00 0.00 32.58 29.40 3iyl s HIS 229 CO -0.05 -1.30 1.31 0.74 -0.85 0.00 0.00 174.74 174.58 3iyl h PHE 230 N 9.27 0.50 -3.33 1.40 -1.00 -1.95 -3.36 116.94 118.46 3iyl h PHE 230 Ca -0.25 -0.28 -0.59 0.00 2.81 0.00 0.00 57.97 59.66 3iyl h PHE 230 Cb 1.07 -0.05 -0.08 0.00 3.61 0.00 0.00 35.95 40.49 3iyl h PHE 230 CO 0.92 1.11 0.56 0.34 -1.61 0.00 0.00 178.31 179.63 3iyl s ASP 231 N -7.04 6.82 -0.12 2.17 -1.08 -1.26 -4.59 116.67 111.57 3iyl s ASP 231 Ca -0.05 0.93 -0.03 0.00 -0.52 0.00 0.00 52.55 52.89 3iyl s ASP 231 Cb 0.09 -2.46 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 3iyl s ASP 231 CO 0.86 -0.65 0.11 -1.20 0.52 0.00 0.00 175.17 174.81 3iyl n SER 232 N 6.31 -0.89 -4.27 -0.34 7.64 -1.26 -4.82 113.62 115.97 3iyl n SER 232 Ca 0.07 -0.12 -0.34 0.00 1.01 0.00 0.00 58.87 59.49 3iyl n SER 232 Cb 0.47 -0.28 0.12 0.00 -1.01 0.00 0.00 64.21 63.51 3iyl n SER 232 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3iyl n PRO 233 N -0.55 -0.63 0.09 1.43 -0.04 -1.26 -4.79 135.00 129.25 3iyl n PRO 233 Ca -0.04 -0.16 -0.03 0.00 -0.04 0.00 0.00 63.50 63.22 3iyl n PRO 233 Cb 0.12 -1.60 -0.02 0.00 -0.04 0.00 0.00 33.50 31.97 3iyl n PRO 233 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3iyl h THR 234 N -1.59 0.00 -0.39 0.52 2.02 -1.93 -3.36 112.91 108.18 3iyl h THR 234 Ca -0.46 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.71 3iyl h THR 234 Cb 1.32 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 3iyl h THR 234 CO 0.33 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 175.00 3iyl n TYR 235 N -2.61 0.51 0.00 3.16 0.53 -1.26 -5.02 117.16 112.46 3iyl n TYR 235 Ca -0.03 -0.35 0.00 0.00 -1.02 0.00 0.00 57.90 56.50 3iyl n TYR 235 Cb 0.09 -0.01 0.00 0.00 -1.03 0.00 0.00 39.34 38.39 3iyl n TYR 235 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3iyl n GLY 236 N 1.06 4.14 3.50 2.72 0.00 -1.26 -4.08 105.19 111.27 3iyl n GLY 236 Ca 0.16 -1.57 -0.51 0.00 0.00 0.00 0.00 46.02 44.10 3iyl n GLY 236 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3iyl n PRO 237 N -1.94 1.21 -2.74 1.61 -0.02 -1.26 -4.75 135.00 127.11 3iyl n PRO 237 Ca 0.00 0.36 -0.17 0.00 -2.02 0.00 0.00 63.50 61.67 3iyl n PRO 237 Cb 0.00 -2.46 0.05 0.00 -0.02 0.00 0.00 33.50 31.08 3iyl n PRO 237 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3iyl n HIS 238 N 9.08 -2.24 -2.94 6.00 1.44 -1.26 -2.20 115.22 123.09 3iyl n HIS 238 Ca 0.38 -1.81 -0.14 0.00 -2.01 0.00 0.00 57.72 54.14 3iyl n HIS 238 Cb 0.23 -0.46 0.02 0.00 0.12 0.00 0.00 29.99 29.90 3iyl n HIS 238 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3iyl n LEU 239 N 0.00 -1.20 -4.54 2.39 4.77 0.11 -4.55 117.00 113.99 3iyl n LEU 239 Ca 0.12 -4.12 -0.56 0.00 -0.03 0.00 0.00 56.01 51.42 3iyl n LEU 239 Cb 0.51 0.80 -0.07 0.00 -2.33 0.00 0.00 43.42 42.33 3iyl n LEU 239 CO 0.33 2.11 0.70 -0.11 -1.33 0.00 0.00 177.39 179.08 3iyl n LEU 240 N 0.89 0.68 -3.83 2.23 7.94 -0.80 -3.37 117.00 120.74 3iyl n LEU 240 Ca 0.14 1.14 -0.30 0.00 -1.11 0.00 0.00 56.01 55.89 3iyl n LEU 240 Cb 0.64 -1.04 -0.15 0.00 0.53 0.00 0.00 43.42 43.40 3iyl n LEU 240 CO 0.11 -1.56 -0.36 -0.22 -1.11 0.00 0.00 177.39 174.25 3iyl s LEU 241 N 0.25 2.57 0.28 -1.96 0.20 -1.11 -1.57 118.68 117.34 3iyl s LEU 241 Ca 0.88 -1.50 -0.29 0.00 0.69 0.00 0.00 54.13 53.90 3iyl s LEU 241 Cb -1.13 -1.02 -0.10 0.00 -0.43 0.00 0.00 46.19 43.51 3iyl s LEU 241 CO 0.53 -0.35 1.25 -2.84 -0.29 0.00 0.00 176.35 174.64 3iyl s PRO 242 N 1.49 4.45 0.99 0.98 0.02 -1.26 -1.51 135.00 140.15 3iyl s PRO 242 Ca 0.05 2.05 -0.12 0.00 0.02 0.00 0.00 61.00 63.00 3iyl s PRO 242 Cb -0.18 -3.14 0.18 0.00 0.02 0.00 0.00 34.50 31.38 3iyl s PRO 242 CO -0.16 -0.09 1.08 1.14 -0.33 0.00 0.00 177.00 178.64 3iyl s GLN 243 N -1.22 0.51 0.27 5.54 0.00 -0.14 -4.77 119.66 119.86 3iyl s GLN 243 Ca 0.50 0.92 0.01 0.00 -0.00 0.00 0.00 55.36 56.78 3iyl s GLN 243 Cb -0.37 -1.71 0.37 0.00 0.00 0.00 0.00 33.01 31.30 3iyl s GLN 243 CO 0.45 -2.78 1.72 1.79 0.00 0.00 0.00 175.29 176.48 3iyl h THR 244 N -1.95 1.26 -3.00 3.63 1.35 -1.95 -3.40 112.91 108.85 3iyl h THR 244 Ca -0.52 -1.19 -0.52 0.00 -0.55 0.00 0.00 66.41 63.62 3iyl h THR 244 Cb 1.30 1.21 0.22 0.00 -1.73 0.00 0.00 68.15 69.15 3iyl h THR 244 CO 0.51 0.39 -0.87 0.61 -0.25 0.00 0.00 175.52 175.92 3iyl n GLY 245 N -0.44 -2.44 3.12 5.82 0.00 -1.26 -4.51 105.19 105.48 3iyl n GLY 245 Ca 0.00 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 3iyl n GLY 245 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3iyl s ASP 246 N -1.84 1.81 0.56 1.61 -4.77 -1.26 -1.25 116.67 111.53 3iyl s ASP 246 Ca 0.54 -0.28 -0.18 0.00 -3.30 0.00 0.00 52.55 49.32 3iyl s ASP 246 Cb -0.18 -0.27 -0.05 0.00 -1.09 0.00 0.00 42.92 41.32 3iyl s ASP 246 CO 0.69 0.17 1.12 -0.69 0.70 0.00 0.00 175.17 177.16 3iyl s VAL 247 N -0.25 3.24 -0.16 2.11 1.01 -0.43 -4.81 120.40 121.12 3iyl s VAL 247 Ca 0.04 0.72 -0.06 0.00 0.00 0.00 0.00 61.98 62.69 3iyl s VAL 247 Cb -0.07 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 3iyl s VAL 247 CO -0.00 -0.21 0.03 -0.76 0.00 0.00 0.00 175.10 174.15 3iyl s LEU 248 N -4.02 3.63 0.00 3.92 1.43 -1.26 -3.31 118.68 119.07 3iyl s LEU 248 Ca 0.71 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 3iyl s LEU 248 Cb -0.22 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.10 3iyl s LEU 248 CO 0.30 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.69 3iyl n GLY 249 N 3.30 3.79 0.18 -3.19 0.00 -1.26 -4.96 105.19 103.05 3iyl n GLY 249 Ca -0.17 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 3iyl n GLY 249 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3iyl h TYR 250 N 0.00 0.53 -3.96 1.61 0.05 -1.92 -3.46 116.97 109.83 3iyl h TYR 250 Ca 0.00 -0.22 -0.20 0.00 0.05 0.00 0.00 58.73 58.37 3iyl h TYR 250 Cb 0.00 -0.09 -0.21 0.00 1.01 0.00 0.00 36.73 37.44 3iyl h TYR 250 CO 0.00 0.95 -0.71 0.45 -1.05 0.00 0.00 178.16 177.80 3iyl s SER 251 N -6.94 0.37 0.38 3.88 0.15 -1.26 -4.42 113.70 105.85 3iyl s SER 251 Ca -0.06 -0.48 0.08 0.00 0.70 0.00 0.00 55.95 56.19 3iyl s SER 251 Cb 0.11 0.08 0.81 0.00 -1.71 0.00 0.00 66.02 65.31 3iyl s SER 251 CO 0.83 -0.26 1.96 0.28 1.20 0.00 0.00 173.24 177.25 3iyl h SER 252 N 4.71 0.59 -3.54 5.45 0.02 -1.99 -3.34 113.55 115.44 3iyl h SER 252 Ca -0.32 0.01 -0.62 0.00 -0.84 0.00 0.00 61.79 60.01 3iyl h SER 252 Cb 1.21 -0.12 -0.12 0.00 0.14 0.00 0.00 62.40 63.51 3iyl h SER 252 CO 0.42 0.37 0.26 -0.44 -1.14 0.00 0.00 176.83 176.30 3iyl s SER 253 N -6.20 6.50 -0.37 3.07 0.01 -1.26 -4.97 113.70 110.48 3iyl s SER 253 Ca -0.09 0.28 -0.40 0.00 1.31 0.00 0.00 55.95 57.05 3iyl s SER 253 Cb 0.19 -2.36 -0.15 0.00 0.21 0.00 0.00 66.02 63.91 3iyl s SER 253 CO 0.77 -0.65 1.96 0.18 0.41 0.00 0.00 173.24 175.90 3iyl n LEU 254 N 6.21 1.85 -4.69 2.44 4.77 -1.26 -4.89 117.00 121.44 3iyl n LEU 254 Ca 0.01 0.79 -0.41 0.00 -0.03 0.00 0.00 56.01 56.37 3iyl n LEU 254 Cb 0.48 -1.10 -0.04 0.00 -2.33 0.00 0.00 43.42 40.43 3iyl n LEU 254 CO 0.51 -0.63 0.62 -0.63 -1.33 0.00 0.00 177.39 175.93 3iyl s ILE 255 N 5.22 4.89 0.32 -0.08 1.01 -1.21 -4.91 121.20 126.43 3iyl s ILE 255 Ca 1.07 1.73 -0.29 0.00 0.00 0.00 0.00 60.65 63.15 3iyl s ILE 255 Cb -1.14 -4.18 -0.12 0.00 0.01 0.00 0.00 42.46 37.04 3iyl s ILE 255 CO 0.62 0.07 1.55 -1.54 0.00 0.00 0.00 174.94 175.64 3iyl n SER 256 N 4.81 3.75 -0.29 3.58 3.41 -1.26 -1.31 113.62 126.31 3iyl n SER 256 Ca 0.05 1.17 0.33 0.00 -0.26 0.00 0.00 58.87 60.15 3iyl n SER 256 Cb 0.49 -1.59 0.73 0.00 -0.26 0.00 0.00 64.21 63.58 3iyl n SER 256 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3iyl h GLN 257 N 4.18 0.03 -0.11 4.33 -0.00 -1.40 0.18 115.11 122.31 3iyl h GLN 257 Ca -0.48 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.16 3iyl h GLN 257 Cb 1.23 -0.01 -0.00 0.00 0.00 0.00 0.00 27.48 28.70 3iyl h GLN 257 CO 0.74 0.02 0.02 0.00 0.00 0.00 0.00 178.83 179.61 3iyl h ALA 258 N 1.46 0.15 0.00 3.38 0.00 -1.80 -2.88 119.26 119.57 3iyl h ALA 258 Ca 0.53 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 55.13 3iyl h ALA 258 Cb 2.07 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.79 3iyl h ALA 258 CO -0.03 -0.20 -0.77 0.00 0.00 0.00 0.00 179.25 178.25 3iyl h ALA 259 N 0.80 0.68 -0.70 0.00 0.00 -1.10 -3.26 119.26 115.69 3iyl h ALA 259 Ca 0.03 -0.70 -0.06 0.00 0.00 0.00 0.00 54.91 54.19 3iyl h ALA 259 Cb 0.28 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3iyl h ALA 259 CO 0.00 0.96 0.22 1.25 0.00 0.00 0.00 179.25 181.68 3iyl h LEU 260 N 0.00 1.02 -1.50 0.00 5.85 -1.02 -2.17 115.31 117.49 3iyl h LEU 260 Ca -0.01 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.54 3iyl h LEU 260 Cb 1.40 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 3iyl h LEU 260 CO 0.10 0.96 0.39 -0.07 -0.34 0.00 0.00 178.44 179.47 3iyl h LEU 261 N 1.03 0.56 0.48 2.25 3.38 -1.55 -0.93 115.31 120.53 3iyl h LEU 261 Ca 0.23 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 3iyl h LEU 261 Cb 0.30 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3iyl h LEU 261 CO -0.01 0.38 -0.23 0.24 0.09 0.00 0.00 178.44 178.92 3iyl h MET 262 N 0.65 -0.62 -0.30 1.13 2.86 -1.49 -2.29 114.93 114.87 3iyl h MET 262 Ca 0.24 0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.99 3iyl h MET 262 Cb 0.13 0.14 -0.07 0.00 0.06 0.00 0.00 31.60 31.86 3iyl h MET 262 CO -0.07 -0.33 -0.22 0.28 1.06 0.00 0.00 176.91 177.63 3iyl h VAL 263 N -0.84 0.41 -0.61 -2.22 2.07 -0.97 0.73 116.25 114.82 3iyl h VAL 263 Ca -0.07 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.60 3iyl h VAL 263 Cb 0.58 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3iyl h VAL 263 CO 0.11 0.00 0.43 1.05 0.02 0.00 0.00 177.57 179.17 3iyl h GLU 264 N -0.20 0.18 0.03 1.57 -0.00 -1.16 0.44 114.58 115.44 3iyl h GLU 264 Ca 0.16 -0.01 -0.23 0.00 -0.00 0.00 0.00 59.36 59.28 3iyl h GLU 264 Cb 0.44 -0.04 -0.02 0.00 -0.00 0.00 0.00 28.75 29.12 3iyl h GLU 264 CO -0.41 0.12 -1.21 0.66 -0.00 0.00 0.00 179.01 178.16 3iyl h SER 265 N 0.19 0.10 -0.76 3.06 4.64 -0.51 -3.32 113.55 116.94 3iyl h SER 265 Ca 0.30 -0.66 0.16 0.00 -0.47 0.00 0.00 61.79 61.12 3iyl h SER 265 Cb 0.91 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.91 3iyl h SER 265 CO -0.05 1.49 0.51 0.58 -0.87 0.00 0.00 176.83 178.50 3iyl h VAL 266 N -0.79 0.76 0.00 0.95 2.07 0.81 1.31 116.25 121.36 3iyl h VAL 266 Ca -0.31 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3iyl h VAL 266 Cb 1.41 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 3iyl h VAL 266 CO -0.12 0.06 0.00 0.80 0.02 0.00 0.00 177.57 178.34 3iyl n MET 267 N -4.46 0.77 -0.05 1.57 0.00 0.15 -2.15 117.12 112.95 3iyl n MET 267 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 57.70 57.77 3iyl n MET 267 Cb 0.58 -1.23 -0.03 0.00 0.00 0.00 0.00 33.22 32.55 3iyl n MET 267 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 3iyl n ASP 268 N -0.73 1.57 -0.12 6.12 10.43 0.44 -3.60 116.55 130.66 3iyl n ASP 268 Ca 0.08 0.25 0.28 0.00 2.57 0.00 0.00 54.79 57.97 3iyl n ASP 268 Cb 0.04 -0.58 0.69 0.00 1.84 0.00 0.00 41.12 43.11 3iyl n ASP 268 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3iyl h ALA 269 N -0.64 2.67 0.00 2.24 0.00 -1.29 1.84 119.26 124.08 3iyl h ALA 269 Ca -0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3iyl h ALA 269 Cb 0.78 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3iyl h ALA 269 CO -0.05 -1.17 -0.16 -0.07 0.00 0.00 0.00 179.25 177.80 3iyl h LEU 270 N 0.00 0.00 -1.23 0.00 3.38 -1.65 -2.25 115.31 113.56 3iyl h LEU 270 Ca 0.39 -0.89 -0.08 0.00 0.09 0.00 0.00 57.88 57.40 3iyl h LEU 270 Cb 1.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.61 3iyl h LEU 270 CO -0.00 1.04 -0.37 -0.09 0.09 0.00 0.00 178.44 179.10 3iyl h ARG 271 N -1.00 0.00 -0.01 1.13 2.43 -0.79 -1.43 114.38 114.72 3iyl h ARG 271 Ca -0.04 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.97 3iyl h ARG 271 Cb 0.99 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.55 3iyl h ARG 271 CO -0.03 0.37 -0.61 -0.44 -1.51 0.00 0.00 179.97 177.75 3iyl h ASP 272 N 0.00 0.56 -0.75 -3.80 5.19 0.26 -3.11 116.42 114.75 3iyl h ASP 272 Ca -0.00 -0.75 0.04 0.00 -0.62 0.00 0.00 57.03 55.70 3iyl h ASP 272 Cb 0.71 -0.17 -0.05 0.00 0.18 0.00 0.00 39.33 40.00 3iyl h ASP 272 CO 0.05 1.23 0.46 0.78 -3.12 0.00 0.00 179.24 178.64 3iyl h ASN 273 N -0.07 0.74 -0.96 6.45 2.35 -1.27 0.30 115.58 123.13 3iyl h ASN 273 Ca -0.07 0.01 0.15 0.00 -0.55 0.00 0.00 56.30 55.83 3iyl h ASN 273 Cb 1.32 -0.15 -0.16 0.00 0.05 0.00 0.00 38.32 39.39 3iyl h ASN 273 CO 0.12 0.50 -0.39 0.00 -1.65 0.00 0.00 177.43 176.01 3iyl h ALA 274 N 1.34 0.12 -0.13 -0.83 0.00 -1.19 -2.88 119.26 115.70 3iyl h ALA 274 Ca 0.32 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.49 3iyl h ALA 274 Cb 0.09 1.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3iyl h ALA 274 CO -0.14 -0.64 0.00 0.27 0.00 0.00 0.00 179.25 178.74 3iyl n ASN 275 N -5.46 2.14 -4.75 0.00 6.94 -1.02 -4.64 115.26 108.47 3iyl n ASN 275 Ca 0.09 -1.68 -0.41 0.00 -0.02 0.00 0.00 54.58 52.56 3iyl n ASN 275 Cb 0.39 -0.08 -0.02 0.00 -2.36 0.00 0.00 39.78 37.72 3iyl n ASN 275 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3iyl s ALA 276 N -0.82 3.69 0.35 -2.53 0.00 0.10 -4.99 121.76 117.57 3iyl s ALA 276 Ca 0.12 1.52 0.08 0.00 0.00 0.00 0.00 51.96 53.67 3iyl s ALA 276 Cb 0.07 -3.62 -0.07 0.00 0.00 0.00 0.00 23.12 19.50 3iyl s ALA 276 CO 0.10 -0.94 -0.05 -1.54 0.00 0.00 0.00 175.76 173.33 3iyl s SER 277 N 0.35 3.50 0.08 0.00 1.04 -1.26 -4.64 113.70 112.76 3iyl s SER 277 Ca 0.61 -1.26 -0.21 0.00 0.48 0.00 0.00 55.95 55.57 3iyl s SER 277 Cb -0.46 -0.31 -0.11 0.00 0.10 0.00 0.00 66.02 65.24 3iyl s SER 277 CO 0.49 -0.33 1.57 0.00 0.98 0.00 0.00 173.24 175.95 3iyl h ALA 278 N 2.00 0.22 0.00 5.32 0.00 -1.94 -3.12 119.26 121.74 3iyl h ALA 278 Ca -0.42 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 3iyl h ALA 278 Cb 1.24 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3iyl h ALA 278 CO 0.73 -0.15 -0.07 0.66 0.00 0.00 0.00 179.25 180.43 3iyl h SER 279 N 0.09 0.00 -3.62 0.00 4.64 -1.99 -3.42 113.55 109.25 3iyl h SER 279 Ca 0.05 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.86 3iyl h SER 279 Cb 0.25 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.31 3iyl h SER 279 CO -0.00 0.07 0.03 -0.89 -0.87 0.00 0.00 176.83 175.16 3iyl s THR 280 N -4.52 4.75 -0.23 2.95 2.01 -1.18 -5.07 115.64 114.36 3iyl s THR 280 Ca -0.04 0.82 0.00 0.00 0.31 0.00 0.00 61.69 62.78 3iyl s THR 280 Cb 0.15 -3.63 0.03 0.00 0.01 0.00 0.00 72.50 69.06 3iyl s THR 280 CO 0.59 -0.11 -0.11 0.00 -0.69 0.00 0.00 174.62 174.29 3iyl s ALA 281 N -1.89 2.56 0.25 7.40 0.00 -1.26 -4.27 121.76 124.55 3iyl s ALA 281 Ca 0.51 -1.46 0.02 0.00 0.00 0.00 0.00 51.96 51.03 3iyl s ALA 281 Cb -0.11 -1.52 -0.03 0.00 0.00 0.00 0.00 23.12 21.46 3iyl s ALA 281 CO 0.19 -0.77 0.41 0.08 0.00 0.00 0.00 175.76 175.67 3iyl s VAL 282 N 1.26 5.21 0.08 0.00 1.01 -0.54 -4.45 120.40 122.97 3iyl s VAL 282 Ca -0.01 -0.67 -0.32 0.00 0.00 0.00 0.00 61.98 60.98 3iyl s VAL 282 Cb -0.16 -3.82 -0.17 0.00 0.00 0.00 0.00 36.38 32.23 3iyl s VAL 282 CO -0.07 -0.33 1.62 0.71 0.00 0.00 0.00 175.10 177.03 3iyl h THR 283 N 1.19 0.31 -4.15 3.92 1.35 -1.86 -2.48 112.91 111.20 3iyl h THR 283 Ca -0.50 0.00 -0.69 0.00 -0.55 0.00 0.00 66.41 64.67 3iyl h THR 283 Cb 1.21 0.31 -0.28 0.00 -1.73 0.00 0.00 68.15 67.67 3iyl h THR 283 CO 0.64 0.00 -0.84 -0.13 -0.25 0.00 0.00 175.52 174.94 3iyl s ARG 284 N -6.04 2.47 0.00 4.72 0.52 -1.26 -4.45 118.95 114.91 3iyl s ARG 284 Ca -0.17 -0.82 0.13 0.00 -0.52 0.00 0.00 55.73 54.34 3iyl s ARG 284 Cb 0.04 -2.24 0.75 0.00 0.52 0.00 0.00 34.95 34.02 3iyl s ARG 284 CO 0.62 0.51 1.20 -0.11 0.02 0.00 0.00 175.30 177.54 3iyl n LEU 285 N 2.61 0.00 -3.61 2.53 -0.00 -1.26 -4.66 117.00 112.62 3iyl n LEU 285 Ca -0.17 0.02 -0.07 0.00 -0.00 0.00 0.00 56.01 55.79 3iyl n LEU 285 Cb 0.52 -0.02 -0.05 0.00 -0.00 0.00 0.00 43.42 43.87 3iyl n LEU 285 CO 0.25 -0.01 0.91 1.51 -0.00 0.00 0.00 177.39 180.05 3iyl s ASP 286 N -2.04 -0.25 0.00 1.96 1.47 -1.26 -4.69 116.67 111.86 3iyl s ASP 286 Ca 0.19 0.31 0.13 0.00 1.18 0.00 0.00 52.55 54.35 3iyl s ASP 286 Cb 0.09 0.25 0.09 0.00 -0.34 0.00 0.00 42.92 43.01 3iyl s ASP 286 CO 0.15 -0.21 0.89 0.00 0.68 0.00 0.00 175.17 176.68 3iyl n GLN 287 N 0.81 0.89 -2.02 2.11 1.13 -1.26 -4.80 117.38 114.24 3iyl n GLN 287 Ca -0.07 -1.22 -0.41 0.00 -1.94 0.00 0.00 57.00 53.36 3iyl n GLN 287 Cb 0.58 -1.24 -0.02 0.00 0.11 0.00 0.00 30.24 29.67 3iyl n GLN 287 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3iyl s SER 288 N -1.12 6.65 1.05 1.08 1.04 -1.26 -4.72 113.70 116.43 3iyl s SER 288 Ca 0.15 2.71 -0.15 0.00 0.48 0.00 0.00 55.95 59.13 3iyl s SER 288 Cb 0.11 -2.63 0.21 0.00 0.10 0.00 0.00 66.02 63.81 3iyl s SER 288 CO 0.17 -0.68 1.12 -1.22 0.98 0.00 0.00 173.24 173.61 3iyl n TYR 289 N 1.84 -3.95 -3.65 5.02 4.02 -1.26 -4.76 117.16 114.41 3iyl n TYR 289 Ca 0.05 -0.99 -0.05 0.00 -0.01 0.00 0.00 57.90 56.89 3iyl n TYR 289 Cb 0.40 -0.92 -0.07 0.00 -0.02 0.00 0.00 39.34 38.74 3iyl n TYR 289 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3iyl s HIS 290 N -3.36 -1.08 0.12 -0.72 2.46 -1.22 -4.94 115.29 106.56 3iyl s HIS 290 Ca 0.65 2.02 -0.30 0.00 0.47 0.00 0.00 55.06 57.89 3iyl s HIS 290 Cb -0.03 0.61 -0.07 0.00 -0.13 0.00 0.00 32.58 32.96 3iyl s HIS 290 CO 0.46 -0.55 1.24 -1.25 -2.47 0.00 0.00 174.74 172.17 3iyl s PRO 291 N 2.24 4.43 0.00 2.88 0.04 -1.26 -1.12 135.00 142.21 3iyl s PRO 291 Ca -0.07 1.87 0.00 0.00 0.04 0.00 0.00 61.00 62.84 3iyl s PRO 291 Cb -0.09 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.16 3iyl s PRO 291 CO -0.18 -0.23 0.00 0.28 0.04 0.00 0.00 177.00 176.91 3iyl n VAL 292 N 3.41 0.00 -3.69 -0.36 0.31 0.79 -4.90 118.33 113.89 3iyl n VAL 292 Ca 0.08 -0.44 -0.14 0.00 -0.01 0.00 0.00 64.34 63.83 3iyl n VAL 292 Cb 0.45 0.95 -0.07 0.00 -0.91 0.00 0.00 33.84 34.26 3iyl n VAL 292 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3iyl s THR 293 N -1.05 0.05 -1.47 2.52 2.01 -1.26 -4.91 115.64 111.52 3iyl s THR 293 Ca 0.00 -0.40 -0.11 0.00 0.31 0.00 0.00 61.69 61.48 3iyl s THR 293 Cb 0.00 -0.80 0.07 0.00 0.01 0.00 0.00 72.50 71.77 3iyl s THR 293 CO 0.00 -0.22 0.84 -1.20 -0.69 0.00 0.00 174.62 173.35 3iyl n SER 294 N 0.93 -4.94 -4.25 3.53 7.64 -1.26 -3.36 113.62 111.90 3iyl n SER 294 Ca -0.20 -0.60 -0.32 0.00 1.01 0.00 0.00 58.87 58.76 3iyl n SER 294 Cb 0.58 -3.97 -0.16 0.00 -1.01 0.00 0.00 64.21 59.64 3iyl n SER 294 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3iyl s PHE 295 N -3.20 2.63 -0.50 1.43 2.19 -1.26 -4.64 117.98 114.63 3iyl s PHE 295 Ca 0.55 -0.98 -0.27 0.00 0.33 0.00 0.00 56.93 56.56 3iyl s PHE 295 Cb -0.27 -1.76 0.03 0.00 -1.31 0.00 0.00 43.02 39.71 3iyl s PHE 295 CO 0.68 -0.39 1.03 0.34 1.83 0.00 0.00 175.22 178.71 3iyl s ASP 296 N 0.40 6.51 0.32 6.13 -1.08 -1.26 -4.92 116.67 122.76 3iyl s ASP 296 Ca -0.16 0.16 0.14 0.00 -0.52 0.00 0.00 52.55 52.17 3iyl s ASP 296 Cb -0.17 -2.49 0.50 0.00 -1.46 0.00 0.00 42.92 39.29 3iyl s ASP 296 CO 0.07 -1.20 1.67 1.55 0.52 0.00 0.00 175.17 177.78 3iyl h PRO 297 N 9.23 0.00 0.02 4.34 0.13 -2.00 -3.40 132.00 140.32 3iyl h PRO 297 Ca -0.24 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3iyl h PRO 297 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3iyl h PRO 297 CO 1.09 0.51 -0.01 0.66 -0.23 0.00 0.00 178.00 180.02 3iyl h SER 298 N 0.00 -0.02 -3.25 1.44 4.64 -2.02 -3.48 113.55 110.86 3iyl h SER 298 Ca -0.01 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.89 3iyl h SER 298 Cb 1.00 0.00 0.21 0.00 -0.31 0.00 0.00 62.40 63.31 3iyl h SER 298 CO 0.07 0.23 -0.00 0.42 -0.87 0.00 0.00 176.83 176.67 3iyl s THR 299 N -1.37 1.83 -0.35 2.95 -4.23 -1.26 -5.02 115.64 108.19 3iyl s THR 299 Ca -0.00 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.65 3iyl s THR 299 Cb 0.00 -2.13 0.40 0.00 1.34 0.00 0.00 72.50 72.11 3iyl s THR 299 CO 0.01 0.00 0.84 0.49 -0.54 0.00 0.00 174.62 175.42 3iyl n PHE 300 N -5.02 0.47 0.00 3.99 3.72 -1.26 -4.85 117.46 114.51 3iyl n PHE 300 Ca 0.05 -3.32 0.00 0.00 -0.05 0.00 0.00 57.45 54.13 3iyl n PHE 300 Cb 0.56 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 3iyl n PHE 300 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3iyl n ASN 301 N 0.13 0.00 -4.46 4.37 4.13 -1.26 -4.75 115.26 113.42 3iyl n ASN 301 Ca 0.17 0.00 -0.50 0.00 1.68 0.00 0.00 54.58 55.94 3iyl n ASN 301 Cb 0.73 -0.27 -0.04 0.00 -1.54 0.00 0.00 39.78 38.66 3iyl n ASN 301 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 3iyl n THR 302 N -2.17 1.56 -0.31 3.41 -1.04 -1.26 -4.70 114.28 109.76 3iyl n THR 302 Ca 0.00 -0.39 0.15 0.00 -2.04 0.00 0.00 64.05 61.77 3iyl n THR 302 Cb 0.00 -0.20 0.39 0.00 -1.82 0.00 0.00 70.33 68.71 3iyl n THR 302 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3iyl h LEU 303 N 1.68 0.64 0.52 -4.42 7.12 -1.97 -1.86 115.31 117.02 3iyl h LEU 303 Ca -0.35 0.07 -0.02 0.00 0.13 0.00 0.00 57.88 57.71 3iyl h LEU 303 Cb 1.42 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 41.48 3iyl h LEU 303 CO 0.60 0.26 -0.39 0.25 -0.13 0.00 0.00 178.44 179.02 3iyl h LEU 304 N 0.64 -1.03 -0.61 2.25 6.46 -1.86 0.26 115.31 121.42 3iyl h LEU 304 Ca 0.52 0.07 0.11 0.00 -0.12 0.00 0.00 57.88 58.47 3iyl h LEU 304 Cb 0.96 0.33 -0.09 0.00 -0.73 0.00 0.00 40.66 41.13 3iyl h LEU 304 CO -0.28 -0.58 0.14 1.56 -0.62 0.00 0.00 178.44 178.67 3iyl h GLN 305 N -0.89 0.27 -0.66 1.25 4.20 -1.69 0.72 115.11 118.31 3iyl h GLN 305 Ca -0.06 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 3iyl h GLN 305 Cb 0.76 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 3iyl h GLN 305 CO 0.01 0.18 0.30 0.00 -0.67 0.00 0.00 178.83 178.64 3iyl h ARG 306 N 0.28 0.96 0.02 1.46 3.08 -1.14 0.12 114.38 119.16 3iyl h ARG 306 Ca 0.32 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 3iyl h ARG 306 Cb 0.47 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3iyl h ARG 306 CO -0.40 0.78 -0.01 0.00 -1.07 0.00 0.00 179.97 179.28 3iyl h ALA 307 N 1.13 -0.02 -0.03 0.04 0.00 0.10 -2.46 119.26 118.02 3iyl h ALA 307 Ca 0.22 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3iyl h ALA 307 Cb 0.15 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 3iyl h ALA 307 CO -0.02 -0.35 -0.43 1.15 0.00 0.00 0.00 179.25 179.59 3iyl h THR 308 N -0.35 0.13 -1.16 0.00 2.02 0.53 0.99 112.91 115.08 3iyl h THR 308 Ca -0.00 0.00 0.33 0.00 0.77 0.00 0.00 66.41 67.51 3iyl h THR 308 Cb 0.34 0.13 -0.09 0.00 -1.74 0.00 0.00 68.15 66.79 3iyl h THR 308 CO 0.00 0.00 0.76 -1.13 0.37 0.00 0.00 175.52 175.53 3iyl h ASN 309 N -0.57 0.30 1.73 4.18 -0.73 -0.95 0.46 115.58 120.01 3iyl h ASN 309 Ca 0.05 0.08 -0.00 0.00 1.87 0.00 0.00 56.30 58.29 3iyl h ASN 309 Cb 0.66 0.04 -0.00 0.00 0.27 0.00 0.00 38.32 39.28 3iyl h ASN 309 CO -0.34 0.00 -0.27 0.25 -0.37 0.00 0.00 177.43 176.70 3iyl h LEU 310 N 0.24 0.00 -0.11 0.34 7.12 -0.39 -3.31 115.31 119.20 3iyl h LEU 310 Ca 0.65 0.00 -0.20 0.00 0.13 0.00 0.00 57.88 58.47 3iyl h LEU 310 Cb 1.96 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 42.06 3iyl h LEU 310 CO -0.27 0.02 -0.93 0.00 -0.13 0.00 0.00 178.44 177.13 3iyl h ALA 311 N 1.98 0.45 0.00 1.25 0.00 0.16 -1.06 119.26 122.03 3iyl h ALA 311 Ca -0.00 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.06 3iyl h ALA 311 Cb 1.02 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3iyl h ALA 311 CO 0.00 1.16 0.00 -0.07 0.00 0.00 0.00 179.25 180.35 3iyl h LEU 312 N 0.00 0.00 0.00 0.00 3.38 -1.55 -1.28 115.31 115.87 3iyl h LEU 312 Ca -0.01 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.58 3iyl h LEU 312 Cb 1.66 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.34 3iyl h LEU 312 CO 0.12 0.00 -2.43 -0.11 0.09 0.00 0.00 178.44 176.11 3iyl n LEU 313 N -2.45 1.91 0.00 1.67 -0.00 -1.12 -4.28 117.00 112.72 3iyl n LEU 313 Ca 0.00 -0.08 0.06 0.00 -0.00 0.00 0.00 56.01 55.99 3iyl n LEU 313 Cb 0.15 -0.41 0.28 0.00 -0.00 0.00 0.00 43.42 43.44 3iyl n LEU 313 CO 0.17 0.78 0.64 0.00 -0.00 0.00 0.00 177.39 178.98 3iyl n ALA 314 N -3.07 1.66 1.24 1.96 0.00 -0.42 -1.45 120.51 120.43 3iyl n ALA 314 Ca -0.41 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.11 3iyl n ALA 314 Cb 1.05 -1.19 0.38 0.00 0.00 0.00 0.00 19.45 19.69 3iyl n ALA 314 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3iyl n VAL 315 N -1.33 0.00 0.24 0.00 3.14 -0.83 -3.83 118.33 115.72 3iyl n VAL 315 Ca 0.05 -0.12 0.12 0.00 -2.96 0.00 0.00 64.34 61.43 3iyl n VAL 315 Cb 0.10 0.37 0.07 0.00 -1.06 0.00 0.00 33.84 33.32 3iyl n VAL 315 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 3iyl h GLN 316 N 1.12 0.00 0.00 1.45 1.08 -1.50 -3.44 115.11 113.82 3iyl h GLN 316 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3iyl h GLN 316 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 3iyl h GLN 316 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 3iyl n GLY 317 N 1.21 1.08 3.77 3.46 0.00 -1.25 -4.45 105.19 109.00 3iyl n GLY 317 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3iyl n GLY 317 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iyl s VAL 318 N -2.00 2.25 0.03 1.61 -7.23 -1.26 -0.12 120.40 113.68 3iyl s VAL 318 Ca 0.00 0.23 0.07 0.00 -1.81 0.00 0.00 61.98 60.47 3iyl s VAL 318 Cb 0.00 -3.13 -0.02 0.00 0.56 0.00 0.00 36.38 33.78 3iyl s VAL 318 CO 0.00 0.03 -0.21 -1.10 -0.31 0.00 0.00 175.10 173.51 3iyl s GLN 319 N -2.34 1.49 0.18 4.82 -0.21 -1.26 -4.72 119.66 117.63 3iyl s GLN 319 Ca 0.59 -0.93 -0.30 0.00 0.02 0.00 0.00 55.36 54.74 3iyl s GLN 319 Cb -0.42 -1.58 -0.08 0.00 1.00 0.00 0.00 33.01 31.93 3iyl s GLN 319 CO 0.55 0.41 1.19 0.45 -2.12 0.00 0.00 175.29 175.77 3iyl s SER 320 N -1.06 7.10 0.22 5.90 0.15 -1.26 -1.09 113.70 123.66 3iyl s SER 320 Ca 0.08 2.22 -0.08 0.00 0.70 0.00 0.00 55.95 58.87 3iyl s SER 320 Cb -0.09 -2.61 0.24 0.00 -1.71 0.00 0.00 66.02 61.86 3iyl s SER 320 CO 0.01 -0.36 1.87 1.05 1.20 0.00 0.00 173.24 177.01 3iyl h GLU 321 N 5.24 0.97 -6.41 5.44 4.11 -1.77 -3.38 114.58 118.78 3iyl h GLU 321 Ca -0.44 -0.06 -0.57 0.00 0.07 0.00 0.00 59.36 58.36 3iyl h GLU 321 Cb 1.21 -0.22 -0.06 0.00 0.50 0.00 0.00 28.75 30.19 3iyl h GLU 321 CO 0.74 0.64 0.94 0.45 0.07 0.00 0.00 179.01 181.85 3iyl s SER 322 N -5.83 6.70 -0.09 3.06 0.15 -1.26 -4.72 113.70 111.72 3iyl s SER 322 Ca -0.13 1.02 -0.36 0.00 0.70 0.00 0.00 55.95 57.19 3iyl s SER 322 Cb 0.17 -2.54 -0.13 0.00 -1.71 0.00 0.00 66.02 61.80 3iyl s SER 322 CO 0.78 -1.09 1.76 0.00 1.20 0.00 0.00 173.24 175.90 3iyl n ALA 323 N 7.58 0.54 -2.60 5.45 0.00 -1.26 -4.93 120.51 125.28 3iyl n ALA 323 Ca 0.14 0.35 -0.42 0.00 0.00 0.00 0.00 53.44 53.51 3iyl n ALA 323 Cb 0.47 -2.38 -0.05 0.00 0.00 0.00 0.00 19.45 17.49 3iyl n ALA 323 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3iyl s ILE 324 N 3.20 4.83 0.52 0.00 1.01 -1.26 -5.02 121.20 124.47 3iyl s ILE 324 Ca 0.91 1.04 -0.20 0.00 0.00 0.00 0.00 60.65 62.40 3iyl s ILE 324 Cb -0.81 -4.11 -0.09 0.00 0.01 0.00 0.00 42.46 37.46 3iyl s ILE 324 CO 0.53 -0.24 0.73 -0.81 0.00 0.00 0.00 174.94 175.15 3iyl n PRO 325 N 6.14 0.80 -0.27 2.79 -0.04 -1.26 -4.90 135.00 138.25 3iyl n PRO 325 Ca 0.02 0.30 -0.05 0.00 -0.04 0.00 0.00 63.50 63.73 3iyl n PRO 325 Cb 0.48 -1.84 0.06 0.00 -0.04 0.00 0.00 33.50 32.16 3iyl n PRO 325 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iyl h ALA 326 N 0.69 0.96 -2.93 0.55 0.00 -1.99 -3.26 119.26 113.27 3iyl h ALA 326 Ca -0.45 -0.08 -0.69 0.00 0.00 0.00 0.00 54.91 53.69 3iyl h ALA 326 Cb 1.38 -0.30 -0.37 0.00 0.00 0.00 0.00 17.79 18.50 3iyl h ALA 326 CO 0.51 0.41 -0.21 0.42 0.00 0.00 0.00 179.25 180.38 3iyl s ILE 327 N -6.02 4.02 0.06 0.00 1.01 -1.26 -5.07 121.20 113.94 3iyl s ILE 327 Ca -0.13 -3.85 -0.38 0.00 0.00 0.00 0.00 60.65 56.30 3iyl s ILE 327 Cb 0.15 -3.52 -0.18 0.00 0.01 0.00 0.00 42.46 38.92 3iyl s ILE 327 CO 0.79 -1.05 1.21 -2.65 0.00 0.00 0.00 174.94 173.24 3iyl n PRO 328 N 2.39 0.70 -4.22 2.79 -0.02 -1.23 -4.84 135.00 130.57 3iyl n PRO 328 Ca 0.20 0.25 -0.29 0.00 -2.02 0.00 0.00 63.50 61.63 3iyl n PRO 328 Cb 0.37 -1.82 -0.10 0.00 -0.02 0.00 0.00 33.50 31.93 3iyl n PRO 328 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3iyl s THR 329 N 0.23 3.41 0.30 3.45 -1.32 -1.26 -1.68 115.64 118.78 3iyl s THR 329 Ca 0.86 -1.28 0.06 0.00 -1.21 0.00 0.00 61.69 60.11 3iyl s THR 329 Cb -1.07 -2.61 0.33 0.00 -1.51 0.00 0.00 72.50 67.64 3iyl s THR 329 CO 0.51 0.09 1.64 0.24 -2.21 0.00 0.00 174.62 174.89 3iyl h MET 330 N 3.51 0.20 -0.42 7.08 2.86 -1.65 0.81 114.93 127.33 3iyl h MET 330 Ca -0.49 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.19 3iyl h MET 330 Cb 1.17 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.74 3iyl h MET 330 CO 0.53 0.13 0.16 1.03 1.06 0.00 0.00 176.91 179.82 3iyl h SER 331 N 0.21 0.18 0.12 1.22 0.87 -1.59 -0.49 113.55 114.06 3iyl h SER 331 Ca 0.61 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 61.21 3iyl h SER 331 Cb 1.29 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 3iyl h SER 331 CO -0.67 0.14 -0.06 -0.78 -0.53 0.00 0.00 176.83 174.93 3iyl h ASP 332 N 0.33 -0.14 -0.70 6.23 3.58 0.17 -2.01 116.42 123.89 3iyl h ASP 332 Ca 0.19 -0.29 0.12 0.00 0.42 0.00 0.00 57.03 57.48 3iyl h ASP 332 Cb 0.17 0.04 -0.09 0.00 1.72 0.00 0.00 39.33 41.17 3iyl h ASP 332 CO -0.19 0.23 0.26 0.58 -2.88 0.00 0.00 179.24 177.24 3iyl h VAL 333 N -0.53 0.69 -0.31 2.25 2.07 -0.34 0.12 116.25 120.20 3iyl h VAL 333 Ca -0.02 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 3iyl h VAL 333 Cb 0.42 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3iyl h VAL 333 CO 0.03 0.08 0.04 -0.09 0.02 0.00 0.00 177.57 177.64 3iyl h ARG 334 N 0.42 0.47 0.00 1.57 2.43 -1.07 0.23 114.38 118.43 3iyl h ARG 334 Ca 0.37 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 3iyl h ARG 334 Cb 0.53 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3iyl h ARG 334 CO -0.37 0.47 0.00 -1.13 -1.51 0.00 0.00 179.97 177.42 3iyl n SER 335 N -4.33 0.00 -0.12 -3.80 3.41 0.32 -1.06 113.62 108.04 3iyl n SER 335 Ca 0.01 0.21 -0.20 0.00 -0.26 0.00 0.00 58.87 58.63 3iyl n SER 335 Cb 0.20 -0.39 -0.10 0.00 -0.26 0.00 0.00 64.21 63.66 3iyl n SER 335 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3iyl n PHE 336 N -1.39 0.00 0.35 7.33 -0.00 -0.51 -3.51 117.46 119.73 3iyl n PHE 336 Ca 0.09 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.65 3iyl n PHE 336 Cb 0.23 -0.89 0.50 0.00 -0.00 0.00 0.00 39.48 39.32 3iyl n PHE 336 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.76 178.31 3iyl n VAL 337 N -3.54 0.90 -0.02 -2.13 3.14 0.70 -0.91 118.33 116.47 3iyl n VAL 337 Ca -0.44 0.34 -0.20 0.00 -2.96 0.00 0.00 64.34 61.07 3iyl n VAL 337 Cb 0.90 -1.28 -0.13 0.00 -1.06 0.00 0.00 33.84 32.27 3iyl n VAL 337 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3iyl h ALA 338 N 2.22 0.14 0.00 1.55 0.00 -1.27 -3.11 119.26 118.80 3iyl h ALA 338 Ca 0.00 -0.98 -0.02 0.00 0.00 0.00 0.00 54.91 53.90 3iyl h ALA 338 Cb 0.28 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 3iyl h ALA 338 CO 0.00 0.64 -0.11 0.00 0.00 0.00 0.00 179.25 179.78 3iyl h ARG 339 N -0.55 0.00 -0.13 0.00 3.08 -1.37 -2.13 114.38 113.29 3iyl h ARG 339 Ca -0.25 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.58 3iyl h ARG 339 Cb 1.55 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.61 3iyl h ARG 339 CO 0.01 0.11 -0.80 1.25 -1.07 0.00 0.00 179.97 179.46 3iyl h LEU 340 N 0.00 0.87 -0.65 3.04 6.46 -1.12 -1.14 115.31 122.77 3iyl h LEU 340 Ca -0.00 -0.59 -0.14 0.00 -0.12 0.00 0.00 57.88 57.03 3iyl h LEU 340 Cb 0.21 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 3iyl h LEU 340 CO 0.01 1.38 -0.49 0.24 -0.62 0.00 0.00 178.44 178.96 3iyl h MET 341 N 0.49 0.46 -6.27 1.25 2.86 -1.34 -3.39 114.93 108.99 3iyl h MET 341 Ca -0.06 -0.26 -0.68 0.00 -2.06 0.00 0.00 59.70 56.64 3iyl h MET 341 Cb 1.43 0.02 0.05 0.00 0.06 0.00 0.00 31.60 33.16 3iyl h MET 341 CO 0.16 0.85 0.53 0.00 1.06 0.00 0.00 176.91 179.51 3iyl n ALA 342 N -2.50 -0.75 -1.57 6.32 0.00 -0.85 -4.80 120.51 116.36 3iyl n ALA 342 Ca -0.02 0.50 -0.52 0.00 0.00 0.00 0.00 53.44 53.39 3iyl n ALA 342 Cb 0.56 -2.11 -0.06 0.00 0.00 0.00 0.00 19.45 17.84 3iyl n ALA 342 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3iyl n GLU 343 N 2.97 0.92 -0.77 0.00 1.02 -1.26 -3.00 120.64 120.51 3iyl n GLU 343 Ca 0.19 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 3iyl n GLU 343 Cb 0.19 -1.90 0.00 0.00 -0.02 0.00 0.00 31.44 29.70 3iyl n GLU 343 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iyl n GLY 344 N 2.22 2.08 3.37 0.62 0.00 -1.26 -4.50 105.19 107.71 3iyl n GLY 344 Ca 0.18 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 3iyl n GLY 344 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iyl s ASP 345 N -0.05 5.39 -0.10 1.61 1.11 -1.26 -4.70 116.67 118.68 3iyl s ASP 345 Ca 0.00 -0.78 -0.29 0.00 0.18 0.00 0.00 52.55 51.66 3iyl s ASP 345 Cb 0.00 -1.94 -0.06 0.00 1.07 0.00 0.00 42.92 41.98 3iyl s ASP 345 CO 0.00 -0.25 2.01 -2.16 1.18 0.00 0.00 175.17 175.95 3iyl s PRO 346 N 1.53 3.71 0.11 8.23 0.04 -1.26 -3.03 135.00 144.32 3iyl s PRO 346 Ca 0.02 2.25 -0.28 0.00 0.04 0.00 0.00 61.00 63.03 3iyl s PRO 346 Cb -0.18 -4.22 -0.16 0.00 0.04 0.00 0.00 34.50 29.98 3iyl s PRO 346 CO 0.04 -1.44 0.64 0.94 0.04 0.00 0.00 177.00 177.22 3iyl n GLN 347 N 8.01 0.00 0.00 4.56 0.00 -1.26 -4.90 117.38 123.79 3iyl n GLN 347 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.23 3iyl n GLN 347 Cb 0.43 -1.04 0.00 0.00 0.00 0.00 0.00 30.24 29.63 3iyl n GLN 347 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 3iyl n GLN 348 N 1.04 0.14 -0.01 3.69 6.02 -1.26 -4.78 117.38 122.22 3iyl n GLN 348 Ca 0.16 -0.37 -0.10 0.00 -0.01 0.00 0.00 57.00 56.68 3iyl n GLN 348 Cb 0.16 -0.86 -0.05 0.00 1.02 0.00 0.00 30.24 30.51 3iyl n GLN 348 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 3iyl h TRP 349 N 0.00 0.07 -3.36 1.08 6.55 -1.99 -3.38 115.95 114.92 3iyl h TRP 349 Ca 0.00 0.01 -0.72 0.00 0.95 0.00 0.00 58.89 59.12 3iyl h TRP 349 Cb 0.05 -0.01 -0.28 0.00 -0.86 0.00 0.00 29.16 28.06 3iyl h TRP 349 CO 0.00 0.03 -0.42 -0.06 -1.05 0.00 0.00 178.44 176.94 3iyl s PHE 350 N -6.19 3.37 0.76 0.49 0.08 -1.26 -4.61 117.98 110.62 3iyl s PHE 350 Ca -0.13 -1.65 -0.14 0.00 0.12 0.00 0.00 56.93 55.13 3iyl s PHE 350 Cb 0.08 -3.23 0.06 0.00 -0.57 0.00 0.00 43.02 39.35 3iyl s PHE 350 CO 0.68 -0.92 1.21 -2.14 -0.10 0.00 0.00 175.22 173.95 3iyl s PRO 351 N 1.41 1.93 0.11 0.24 0.02 -1.26 -4.93 135.00 132.51 3iyl s PRO 351 Ca 0.04 1.76 -0.13 0.00 0.02 0.00 0.00 61.00 62.69 3iyl s PRO 351 Cb -0.25 -1.81 -0.06 0.00 0.02 0.00 0.00 34.50 32.40 3iyl s PRO 351 CO 0.01 -2.00 0.49 -0.47 -0.33 0.00 0.00 177.00 174.70 3iyl s TYR 352 N -2.05 3.62 0.27 6.54 6.14 -1.26 -4.77 117.35 125.85 3iyl s TYR 352 Ca 0.74 0.98 0.06 0.00 0.64 0.00 0.00 57.07 59.49 3iyl s TYR 352 Cb -0.29 -2.30 -0.06 0.00 0.42 0.00 0.00 41.96 39.73 3iyl s TYR 352 CO 0.48 0.49 -0.03 1.03 0.64 0.00 0.00 175.55 178.15 3iyl s ARG 353 N -1.81 1.51 -0.01 4.97 1.81 -1.26 -5.07 118.95 119.10 3iyl s ARG 353 Ca 0.34 -1.77 0.20 0.00 -1.72 0.00 0.00 55.73 52.78 3iyl s ARG 353 Cb -0.15 -0.99 -0.22 0.00 -0.45 0.00 0.00 34.95 33.14 3iyl s ARG 353 CO 0.18 -0.02 0.57 0.28 -0.68 0.00 0.00 175.30 175.63 3iyl n VAL 354 N -0.55 0.69 -0.17 3.52 0.31 -1.26 -4.47 118.33 116.41 3iyl n VAL 354 Ca -0.05 -0.63 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 3iyl n VAL 354 Cb 0.64 -0.34 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 3iyl n VAL 354 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3iyl n ASP 355 N -2.59 1.30 -3.78 4.52 8.00 -1.26 -4.79 116.55 117.95 3iyl n ASP 355 Ca -0.11 -1.47 -0.13 0.00 0.71 0.00 0.00 54.79 53.79 3iyl n ASP 355 Cb 0.76 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.74 3iyl n ASP 355 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3iyl s GLN 356 N -0.47 0.23 -0.36 -1.24 -0.21 -1.26 -4.51 119.66 111.83 3iyl s GLN 356 Ca 0.00 0.35 -0.11 0.00 0.02 0.00 0.00 55.36 55.62 3iyl s GLN 356 Cb 0.00 0.05 0.02 0.00 1.00 0.00 0.00 33.01 34.08 3iyl s GLN 356 CO 0.00 -0.07 0.20 0.42 -2.12 0.00 0.00 175.29 173.72 3iyl s ILE 357 N 0.42 4.57 -0.07 1.08 1.01 0.55 -4.03 121.20 124.72 3iyl s ILE 357 Ca -0.03 -0.80 -0.30 0.00 0.00 0.00 0.00 60.65 59.53 3iyl s ILE 357 Cb -0.04 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 3iyl s ILE 357 CO -0.02 -0.19 1.32 -0.76 0.00 0.00 0.00 174.94 175.29 3iyl s LEU 358 N 1.56 4.26 -0.06 2.97 1.43 -1.26 -2.87 118.68 124.72 3iyl s LEU 358 Ca 0.02 1.90 0.05 0.00 -1.03 0.00 0.00 54.13 55.07 3iyl s LEU 358 Cb -0.19 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.47 3iyl s LEU 358 CO 0.07 -0.71 -0.21 -0.72 0.23 0.00 0.00 176.35 175.01 3iyl s TYR 359 N 2.86 2.54 0.20 0.29 1.13 -0.41 -4.84 117.35 119.12 3iyl s TYR 359 Ca 0.59 -0.52 -0.33 0.00 -1.41 0.00 0.00 57.07 55.40 3iyl s TYR 359 Cb -0.26 -1.63 -0.13 0.00 -1.10 0.00 0.00 41.96 38.84 3iyl s TYR 359 CO 0.22 -0.09 1.67 1.87 -2.51 0.00 0.00 175.55 176.71 3iyl n TRP 360 N 2.78 2.60 -0.18 -3.49 -0.00 -1.24 -3.24 117.44 114.67 3iyl n TRP 360 Ca -0.17 0.12 -0.09 0.00 -0.00 0.00 0.00 57.50 57.36 3iyl n TRP 360 Cb 0.52 -2.63 0.01 0.00 -0.00 0.00 0.00 31.31 29.21 3iyl n TRP 360 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 3iyl h PRO 361 N 6.41 0.82 -2.02 5.87 0.11 -1.81 -2.85 132.00 138.53 3iyl h PRO 361 Ca -0.44 -0.21 -0.06 0.00 0.11 0.00 0.00 66.00 65.41 3iyl h PRO 361 Cb 1.22 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3iyl h PRO 361 CO 0.93 0.80 -0.10 -1.91 -0.21 0.00 0.00 178.00 177.51 3iyl n GLU 362 N -4.43 1.22 -4.09 1.05 4.07 -1.26 -4.82 120.64 112.39 3iyl n GLU 362 Ca 0.01 -0.29 -0.14 0.00 -0.06 0.00 0.00 57.16 56.69 3iyl n GLU 362 Cb 0.24 -1.32 -0.13 0.00 -0.06 0.00 0.00 31.44 30.17 3iyl n GLU 362 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 3iyl s SER 363 N 2.02 0.69 0.33 4.31 0.15 -1.08 -4.92 113.70 115.20 3iyl s SER 363 Ca 0.19 -0.35 0.12 0.00 0.70 0.00 0.00 55.95 56.61 3iyl s SER 363 Cb 0.09 -0.00 1.01 0.00 -1.71 0.00 0.00 66.02 65.41 3iyl s SER 363 CO 0.00 -0.10 1.66 -0.65 1.20 0.00 0.00 173.24 175.35 3iyl h PRO 364 N 5.15 0.30 -6.37 5.44 0.11 -1.88 -3.42 132.00 131.34 3iyl h PRO 364 Ca -0.32 -0.02 -0.59 0.00 0.11 0.00 0.00 66.00 65.18 3iyl h PRO 364 Cb 1.20 -0.07 0.03 0.00 0.11 0.00 0.00 31.00 32.27 3iyl h PRO 364 CO 0.45 0.20 1.03 0.34 -0.21 0.00 0.00 178.00 179.80 3iyl n PHE 365 N -5.09 2.36 -3.80 0.65 -0.00 -1.26 -4.85 117.46 105.47 3iyl n PHE 365 Ca 0.30 0.03 -0.37 0.00 -0.00 0.00 0.00 57.45 57.41 3iyl n PHE 365 Cb 0.92 -2.65 -0.13 0.00 -0.00 0.00 0.00 39.48 37.62 3iyl n PHE 365 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 3iyl s VAL 366 N 3.10 3.77 0.24 -2.13 1.01 -1.26 -4.98 120.40 120.15 3iyl s VAL 366 Ca 0.88 -0.69 -0.31 0.00 0.00 0.00 0.00 61.98 61.86 3iyl s VAL 366 Cb -0.65 -2.91 -0.14 0.00 0.00 0.00 0.00 36.38 32.68 3iyl s VAL 366 CO 0.46 0.14 1.26 -0.81 0.00 0.00 0.00 175.10 176.15 3iyl n PRO 367 N 4.83 1.69 0.00 2.72 -0.04 -1.26 -4.96 135.00 137.98 3iyl n PRO 367 Ca -0.15 0.60 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 3iyl n PRO 367 Cb 0.48 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 3iyl n PRO 367 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3iyl n PRO 368 N 1.55 0.00 0.00 0.54 -0.04 -1.26 -5.02 135.00 130.77 3iyl n PRO 368 Ca 0.11 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 3iyl n PRO 368 Cb 0.30 -0.70 0.00 0.00 -0.04 0.00 0.00 33.50 33.06 3iyl n PRO 368 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3iyl n ILE 369 N -0.29 0.00 0.00 0.52 5.41 -1.26 -5.14 119.36 118.60 3iyl n ILE 369 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3iyl n ILE 369 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 3iyl n ILE 369 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3iyl n GLY 370 N -0.84 0.00 2.64 7.39 0.00 -1.26 -4.77 105.19 108.36 3iyl n GLY 370 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3iyl n GLY 370 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3iyl n PRO 371 N 0.00 4.79 0.00 1.61 -0.04 -1.26 -4.40 135.00 135.70 3iyl n PRO 371 Ca 0.00 -4.18 0.00 0.00 -0.04 0.00 0.00 63.50 59.28 3iyl n PRO 371 Cb 0.00 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 3iyl n PRO 371 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3iyl n PHE 372 N 0.25 0.00 -4.05 0.54 3.72 -1.26 -4.86 117.46 111.80 3iyl n PHE 372 Ca 0.51 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.59 3iyl n PHE 372 Cb 0.27 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.66 3iyl n PHE 372 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3iyl s TYR 373 N -1.20 3.36 -0.08 1.38 2.02 -1.26 -0.33 117.35 121.23 3iyl s TYR 373 Ca 0.00 -2.41 -0.14 0.00 -0.37 0.00 0.00 57.07 54.15 3iyl s TYR 373 Cb 0.00 -2.12 -0.05 0.00 -0.40 0.00 0.00 41.96 39.39 3iyl s TYR 373 CO 0.00 -0.89 0.34 0.00 -1.57 0.00 0.00 175.55 173.43 3iyl s ALA 374 N 1.08 3.67 -1.23 3.71 0.00 -1.14 -4.96 121.76 122.89 3iyl s ALA 374 Ca -0.05 -0.35 -0.08 0.00 0.00 0.00 0.00 51.96 51.48 3iyl s ALA 374 Cb -0.20 -2.35 -0.08 0.00 0.00 0.00 0.00 23.12 20.49 3iyl s ALA 374 CO -0.05 0.33 2.99 -0.35 0.00 0.00 0.00 175.76 178.68 3iyl n PRO 375 N 2.57 3.49 -2.23 0.00 -0.04 -1.26 -1.28 135.00 136.24 3iyl n PRO 375 Ca -0.13 -2.19 -0.41 0.00 -0.04 0.00 0.00 63.50 60.72 3iyl n PRO 375 Cb 0.52 -2.60 -0.03 0.00 -0.04 0.00 0.00 33.50 31.36 3iyl n PRO 375 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3iyl s PHE 376 N 1.24 3.23 -0.24 0.54 2.19 -1.20 -4.57 117.98 119.17 3iyl s PHE 376 Ca 0.66 1.41 0.02 0.00 0.33 0.00 0.00 56.93 59.36 3iyl s PHE 376 Cb 0.22 -3.57 0.05 0.00 -1.31 0.00 0.00 43.02 38.41 3iyl s PHE 376 CO -0.06 -1.58 -0.12 0.50 1.83 0.00 0.00 175.22 175.78 3iyl s ARG 377 N -1.17 2.33 1.07 10.12 3.52 -1.26 -3.72 118.95 129.84 3iyl s ARG 377 Ca 0.50 -1.22 -0.12 0.00 -0.13 0.00 0.00 55.73 54.76 3iyl s ARG 377 Cb -0.37 -2.80 0.22 0.00 -1.56 0.00 0.00 34.95 30.44 3iyl s ARG 377 CO 0.46 -0.50 1.00 -0.35 -0.81 0.00 0.00 175.30 175.09 3iyl n PRO 378 N 4.49 -1.59 0.04 5.12 -0.04 -1.26 -4.90 135.00 136.85 3iyl n PRO 378 Ca -0.15 -0.42 -0.02 0.00 -0.04 0.00 0.00 63.50 62.86 3iyl n PRO 378 Cb 0.44 -2.22 0.23 0.00 -0.04 0.00 0.00 33.50 31.91 3iyl n PRO 378 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3iyl h VAL 379 N -2.33 1.26 -1.26 0.52 2.07 -2.00 -3.40 116.25 111.11 3iyl h VAL 379 Ca -0.54 -1.22 -0.28 0.00 0.82 0.00 0.00 66.70 65.48 3iyl h VAL 379 Cb 1.31 1.36 -0.22 0.00 -1.52 0.00 0.00 31.29 32.22 3iyl h VAL 379 CO 0.45 0.39 -0.64 0.59 0.02 0.00 0.00 177.57 178.38 3iyl n ASN 380 N -4.13 -2.53 -4.70 0.57 3.02 -1.26 -5.12 115.26 101.11 3iyl n ASN 380 Ca -0.00 -2.82 -0.42 0.00 -0.03 0.00 0.00 54.58 51.30 3iyl n ASN 380 Cb 0.39 1.10 -0.03 0.00 -0.61 0.00 0.00 39.78 40.64 3iyl n ASN 380 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3iyl s PHE 381 N 0.57 3.32 -0.57 3.10 5.99 -1.26 -4.93 117.98 124.18 3iyl s PHE 381 Ca 0.31 1.28 0.25 0.00 0.00 0.00 0.00 56.93 58.78 3iyl s PHE 381 Cb 0.04 -3.40 0.74 0.00 0.00 0.00 0.00 43.02 40.40 3iyl s PHE 381 CO -0.11 -1.21 1.74 -1.00 -0.00 0.00 0.00 175.22 174.63 3iyl h PRO 382 N 7.16 0.00 -6.70 10.12 0.13 -1.99 -3.46 132.00 137.26 3iyl h PRO 382 Ca -0.38 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.26 3iyl h PRO 382 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 3iyl h PRO 382 CO 0.84 0.00 0.26 -0.06 -0.23 0.00 0.00 178.00 178.81 3iyl s PHE 383 N -3.19 3.82 0.48 1.56 0.40 -1.26 -5.05 117.98 114.74 3iyl s PHE 383 Ca 0.08 1.71 0.04 0.00 -0.60 0.00 0.00 56.93 58.16 3iyl s PHE 383 Cb 0.10 -2.84 -0.03 0.00 0.51 0.00 0.00 43.02 40.76 3iyl s PHE 383 CO 0.59 0.38 0.11 0.95 0.70 0.00 0.00 175.22 177.94 3iyl s THR 384 N -1.36 1.64 0.64 0.64 -4.23 -1.18 -4.96 115.64 106.83 3iyl s THR 384 Ca 0.43 -1.86 0.07 0.00 -1.18 0.00 0.00 61.69 59.15 3iyl s THR 384 Cb -0.21 -2.50 0.11 0.00 1.34 0.00 0.00 72.50 71.24 3iyl s THR 384 CO 0.26 0.00 0.88 0.42 -0.54 0.00 0.00 174.62 175.64 3iyl s THR 385 N -2.77 2.01 0.00 3.99 -4.23 -1.26 -0.63 115.64 112.75 3iyl s THR 385 Ca 0.23 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 3iyl s THR 385 Cb 0.03 -2.11 0.00 0.00 1.34 0.00 0.00 72.50 71.76 3iyl s THR 385 CO 0.13 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 3iyl n GLY 386 N -2.47 3.00 0.00 3.99 0.00 -0.87 -4.50 105.19 104.35 3iyl n GLY 386 Ca 0.17 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.22 3iyl n GLY 386 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iyl n SER 387 N 0.00 1.65 -3.68 1.61 3.41 -1.26 -3.48 113.62 111.87 3iyl n SER 387 Ca 0.00 -0.56 -0.12 0.00 -0.26 0.00 0.00 58.87 57.93 3iyl n SER 387 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 3iyl n SER 387 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3iyl s TYR 388 N 0.16 -0.51 -0.10 7.33 2.02 -1.26 -4.98 117.35 120.02 3iyl s TYR 388 Ca 0.00 1.09 -0.29 0.00 -0.37 0.00 0.00 57.07 57.50 3iyl s TYR 388 Cb 0.00 0.08 -0.01 0.00 -0.40 0.00 0.00 41.96 41.63 3iyl s TYR 388 CO 0.00 -0.36 0.99 0.95 -1.57 0.00 0.00 175.55 175.56 3iyl s THR 389 N 2.15 4.80 0.33 -0.71 -4.23 -1.26 -4.95 115.64 111.78 3iyl s THR 389 Ca -0.02 2.01 -0.29 0.00 -1.18 0.00 0.00 61.69 62.20 3iyl s THR 389 Cb -0.11 -4.30 -0.11 0.00 1.34 0.00 0.00 72.50 69.32 3iyl s THR 389 CO -0.10 0.03 1.49 -0.69 -0.54 0.00 0.00 174.62 174.80 3iyl s VAL 390 N 1.89 2.22 -0.07 2.29 1.01 -1.26 -5.03 120.40 121.46 3iyl s VAL 390 Ca 0.48 0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.72 3iyl s VAL 390 Cb -0.18 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 3iyl s VAL 390 CO 0.19 0.04 -0.23 -0.69 0.00 0.00 0.00 175.10 174.41 3iyl s VAL 391 N -0.67 1.95 0.74 2.92 1.01 -1.26 -5.13 120.40 119.95 3iyl s VAL 391 Ca 0.56 -0.99 -0.15 0.00 0.00 0.00 0.00 61.98 61.39 3iyl s VAL 391 Cb -0.45 -1.66 0.04 0.00 0.00 0.00 0.00 36.38 34.30 3iyl s VAL 391 CO 0.55 0.54 1.18 -0.81 0.00 0.00 0.00 175.10 176.56 3iyl n PRO 392 N 3.16 0.56 -1.79 2.72 -0.04 -1.26 -4.82 135.00 133.53 3iyl n PRO 392 Ca -0.18 0.26 -0.42 0.00 -0.04 0.00 0.00 63.50 63.11 3iyl n PRO 392 Cb 0.52 -2.42 -0.03 0.00 -0.04 0.00 0.00 33.50 31.53 3iyl n PRO 392 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3iyl s ASP 393 N -1.77 6.51 0.06 3.54 1.11 -1.26 -4.89 116.67 119.97 3iyl s ASP 393 Ca 0.77 2.56 -0.33 0.00 0.18 0.00 0.00 52.55 55.73 3iyl s ASP 393 Cb -0.33 -2.54 -0.12 0.00 1.07 0.00 0.00 42.92 41.00 3iyl s ASP 393 CO 0.47 -1.00 1.77 0.00 1.18 0.00 0.00 175.17 177.60 3iyl n ALA 394 N 6.94 1.45 0.35 5.23 0.00 -1.03 -4.87 120.51 128.57 3iyl n ALA 394 Ca 0.18 0.34 0.14 0.00 0.00 0.00 0.00 53.44 54.11 3iyl n ALA 394 Cb 0.41 -2.48 0.58 0.00 0.00 0.00 0.00 19.45 17.96 3iyl n ALA 394 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3iyl h SER 395 N 7.96 0.00 -5.04 0.00 4.64 -1.91 -2.94 113.55 116.26 3iyl h SER 395 Ca -0.47 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.77 3iyl h SER 395 Cb 1.25 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.17 3iyl h SER 395 CO 0.93 0.00 -0.13 0.00 -0.87 0.00 0.00 176.83 176.76 3iyl s ARG 396 N -3.47 0.91 -0.23 4.77 1.04 -1.26 -4.59 118.95 116.11 3iyl s ARG 396 Ca 0.03 -0.39 -0.36 0.00 -1.04 0.00 0.00 55.73 53.96 3iyl s ARG 396 Cb 0.09 0.40 -0.12 0.00 -2.04 0.00 0.00 34.95 33.28 3iyl s ARG 396 CO 0.43 -0.31 1.97 -0.35 -0.04 0.00 0.00 175.30 177.00 3iyl n PRO 397 N 0.50 1.53 -3.00 3.89 -0.04 -1.26 -4.59 135.00 132.02 3iyl n PRO 397 Ca -0.18 0.52 -0.40 0.00 -0.04 0.00 0.00 63.50 63.39 3iyl n PRO 397 Cb 0.60 -2.47 -0.05 0.00 -0.04 0.00 0.00 33.50 31.54 3iyl n PRO 397 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 3iyl s LEU 398 N 5.24 4.21 0.53 1.53 2.34 -1.23 -4.87 118.68 126.41 3iyl s LEU 398 Ca 1.00 1.07 -0.19 0.00 0.06 0.00 0.00 54.13 56.07 3iyl s LEU 398 Cb -0.83 -3.09 -0.07 0.00 -0.56 0.00 0.00 46.19 41.65 3iyl s LEU 398 CO 0.54 -0.28 1.09 0.00 -1.06 0.00 0.00 176.35 176.64 3iyl s ARG 399 N 1.69 3.51 -0.23 1.48 1.70 -1.26 -2.17 118.95 123.66 3iyl s ARG 399 Ca 0.35 1.47 -0.00 0.00 -0.47 0.00 0.00 55.73 57.08 3iyl s ARG 399 Cb -0.17 -2.04 0.07 0.00 -0.57 0.00 0.00 34.95 32.24 3iyl s ARG 399 CO 0.13 -0.69 -0.01 -1.17 -1.08 0.00 0.00 175.30 172.49 3iyl s LEU 400 N -3.76 2.22 0.38 -1.89 0.20 -0.09 -4.88 118.68 110.85 3iyl s LEU 400 Ca 0.70 -1.16 -0.27 0.00 0.69 0.00 0.00 54.13 54.08 3iyl s LEU 400 Cb -0.20 -0.99 -0.11 0.00 -0.43 0.00 0.00 46.19 44.45 3iyl s LEU 400 CO 0.25 -0.28 1.37 0.18 -0.29 0.00 0.00 176.35 177.58 3iyl n LEU 401 N 4.78 4.17 -4.58 -0.68 4.77 -1.26 -4.83 117.00 119.37 3iyl n LEU 401 Ca -0.09 1.19 -0.39 0.00 -0.03 0.00 0.00 56.01 56.69 3iyl n LEU 401 Cb 0.45 -1.54 -0.10 0.00 -2.33 0.00 0.00 43.42 39.90 3iyl n LEU 401 CO 0.16 -0.26 -0.02 -2.16 -1.33 0.00 0.00 177.39 173.77 3iyl s PRO 402 N -2.05 3.86 -0.14 3.23 0.04 -1.26 -5.05 135.00 133.63 3iyl s PRO 402 Ca 0.56 -0.21 -0.02 0.00 0.04 0.00 0.00 61.00 61.38 3iyl s PRO 402 Cb -0.52 -3.70 -0.02 0.00 0.04 0.00 0.00 34.50 30.30 3iyl s PRO 402 CO 0.62 -0.32 -0.09 -0.65 0.04 0.00 0.00 177.00 176.60 3iyl s GLN 403 N 1.95 3.48 0.51 4.56 -0.21 -1.26 -4.96 119.66 123.74 3iyl s GLN 403 Ca 0.11 -0.63 -0.08 0.00 0.02 0.00 0.00 55.36 54.79 3iyl s GLN 403 Cb -0.16 -2.75 -0.04 0.00 1.00 0.00 0.00 33.01 31.05 3iyl s GLN 403 CO 0.11 0.19 0.86 0.71 -2.12 0.00 0.00 175.29 175.04 3iyl s TYR 404 N 0.44 3.57 0.00 0.91 2.02 -1.26 -0.92 117.35 122.10 3iyl s TYR 404 Ca -0.07 0.99 0.00 0.00 -0.37 0.00 0.00 57.07 57.62 3iyl s TYR 404 Cb -0.15 -2.45 0.00 0.00 -0.40 0.00 0.00 41.96 38.96 3iyl s TYR 404 CO 0.04 -0.38 0.00 -2.13 -1.57 0.00 0.00 175.55 171.51 3iyl n ARG 405 N -2.27 2.52 -0.08 -0.62 0.63 0.48 -4.48 116.66 112.84 3iyl n ARG 405 Ca 0.02 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.87 3iyl n ARG 405 Cb 0.55 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.42 3iyl n ARG 405 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 3iyl n ASN 406 N -0.86 1.86 -4.73 6.15 2.85 -1.26 -4.62 115.26 114.65 3iyl n ASN 406 Ca 0.00 0.51 -0.40 0.00 -0.11 0.00 0.00 54.58 54.58 3iyl n ASN 406 Cb 0.00 -0.84 0.02 0.00 1.24 0.00 0.00 39.78 40.20 3iyl n ASN 406 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3iyl n ALA 407 N -3.90 1.58 -2.56 5.20 0.00 -1.26 -4.80 120.51 114.77 3iyl n ALA 407 Ca -0.14 0.22 -0.22 0.00 0.00 0.00 0.00 53.44 53.30 3iyl n ALA 407 Cb 0.41 -2.32 -0.15 0.00 0.00 0.00 0.00 19.45 17.39 3iyl n ALA 407 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3iyl s THR 408 N -1.22 1.13 0.36 0.00 -4.23 -1.26 -2.52 115.64 107.90 3iyl s THR 408 Ca 0.63 -0.62 -0.14 0.00 -1.18 0.00 0.00 61.69 60.39 3iyl s THR 408 Cb -0.47 -0.94 -0.08 0.00 1.34 0.00 0.00 72.50 72.35 3iyl s THR 408 CO 0.56 0.32 0.77 -0.63 -0.54 0.00 0.00 174.62 175.09 3iyl s ILE 409 N -0.34 4.69 -0.04 2.99 -1.09 0.07 -4.89 121.20 122.59 3iyl s ILE 409 Ca 0.06 0.89 -0.30 0.00 -2.23 0.00 0.00 60.65 59.07 3iyl s ILE 409 Cb -0.06 -3.65 -0.02 0.00 -1.58 0.00 0.00 42.46 37.15 3iyl s ILE 409 CO -0.01 -0.31 0.98 0.42 -1.23 0.00 0.00 174.94 174.79 3iyl s THR 410 N -2.13 4.85 0.19 2.92 -4.23 -1.26 -1.60 115.64 114.37 3iyl s THR 410 Ca 0.54 2.03 0.02 0.00 -1.18 0.00 0.00 61.69 63.10 3iyl s THR 410 Cb -0.10 -4.31 0.25 0.00 1.34 0.00 0.00 72.50 69.68 3iyl s THR 410 CO 0.22 0.11 0.93 0.52 -0.54 0.00 0.00 174.62 175.86 3iyl n VAL 411 N 4.12 -0.25 0.07 2.29 0.31 -1.26 0.26 118.33 123.87 3iyl n VAL 411 Ca 0.07 1.29 -0.12 0.00 -0.01 0.00 0.00 64.34 65.57 3iyl n VAL 411 Cb 0.50 -1.91 -0.06 0.00 -0.91 0.00 0.00 33.84 31.46 3iyl n VAL 411 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3iyl h GLN 412 N 0.00 -0.14 -0.05 5.55 4.20 -1.97 -2.04 115.11 120.66 3iyl h GLN 412 Ca 0.37 0.01 -0.21 0.00 0.06 0.00 0.00 58.65 58.88 3iyl h GLN 412 Cb 0.80 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.61 3iyl h GLN 412 CO -0.55 -0.09 -0.85 0.37 -0.67 0.00 0.00 178.83 177.04 3iyl h GLN 413 N -0.15 0.47 -0.20 1.46 4.15 -0.57 -3.03 115.11 117.24 3iyl h GLN 413 Ca 0.01 -0.44 0.00 0.00 0.77 0.00 0.00 58.65 58.99 3iyl h GLN 413 Cb 0.15 0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.96 3iyl h GLN 413 CO -0.04 1.09 0.00 0.00 -1.93 0.00 0.00 178.83 177.95 3iyl n ALA 414 N -2.54 2.46 -0.03 3.38 0.00 0.85 -2.40 120.51 122.22 3iyl n ALA 414 Ca -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.34 3iyl n ALA 414 Cb 0.78 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.22 3iyl n ALA 414 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3iyl n ASP 415 N -0.39 1.05 -0.03 0.00 8.00 -0.78 -4.24 116.55 120.16 3iyl n ASP 415 Ca 0.00 0.17 0.06 0.00 0.71 0.00 0.00 54.79 55.73 3iyl n ASP 415 Cb 0.05 -0.50 0.44 0.00 -0.02 0.00 0.00 41.12 41.09 3iyl n ASP 415 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 3iyl h ASP 416 N -0.41 0.45 -0.88 -2.24 2.03 -1.65 0.24 116.42 113.95 3iyl h ASP 416 Ca 0.00 -0.01 0.17 0.00 -0.73 0.00 0.00 57.03 56.47 3iyl h ASP 416 Cb 0.41 -0.11 -0.10 0.00 -0.83 0.00 0.00 39.33 38.70 3iyl h ASP 416 CO 0.00 0.31 0.45 0.00 -1.03 0.00 0.00 179.24 178.98 3iyl h ALA 417 N 1.73 1.38 -0.06 4.15 0.00 -1.72 1.09 119.26 125.83 3iyl h ALA 417 Ca 0.19 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 3iyl h ALA 417 Cb 0.10 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3iyl h ALA 417 CO -0.05 -0.15 -0.34 -0.92 0.00 0.00 0.00 179.25 177.80 3iyl h TYR 418 N 0.59 0.45 0.00 0.00 5.03 -0.90 -3.23 116.97 118.91 3iyl h TYR 418 Ca 0.51 -0.20 0.00 0.00 2.58 0.00 0.00 58.73 61.61 3iyl h TYR 418 Cb 0.80 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 39.01 3iyl h TYR 418 CO -0.09 0.95 0.00 0.39 -1.32 0.00 0.00 178.16 178.09 3iyl n GLU 419 N -4.42 0.59 -0.01 1.82 1.02 0.53 0.36 120.64 120.55 3iyl n GLU 419 Ca -0.09 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.16 3iyl n GLU 419 Cb 0.51 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.28 3iyl n GLU 419 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3iyl n ASP 420 N -1.01 0.39 -0.24 1.62 8.00 0.35 -4.55 116.55 121.10 3iyl n ASP 420 Ca 0.14 -0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.37 3iyl n ASP 420 Cb 0.07 1.69 0.00 0.00 -0.02 0.00 0.00 41.12 42.87 3iyl n ASP 420 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3iyl n THR 421 N -2.02 0.10 -3.17 -3.53 -2.24 -0.85 -5.09 114.28 97.47 3iyl n THR 421 Ca -0.02 -0.11 -0.30 0.00 -2.27 0.00 0.00 64.05 61.35 3iyl n THR 421 Cb 0.49 0.70 -0.04 0.00 -2.10 0.00 0.00 70.33 69.38 3iyl n THR 421 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iyl s ALA 422 N -0.13 3.49 -0.97 6.98 0.00 0.16 -2.51 121.76 128.77 3iyl s ALA 422 Ca 0.01 -0.32 -0.16 0.00 0.00 0.00 0.00 51.96 51.49 3iyl s ALA 422 Cb 0.01 -2.51 0.17 0.00 0.00 0.00 0.00 23.12 20.79 3iyl s ALA 422 CO 0.00 0.23 1.10 -0.51 0.00 0.00 0.00 175.76 176.57 3iyl s LEU 423 N -3.43 5.57 0.00 0.00 1.02 -1.07 -4.86 118.68 115.91 3iyl s LEU 423 Ca 0.48 -2.50 0.00 0.00 0.02 0.00 0.00 54.13 52.13 3iyl s LEU 423 Cb -0.11 -2.34 0.00 0.00 0.02 0.00 0.00 46.19 43.77 3iyl s LEU 423 CO 0.27 -0.82 0.36 -1.20 0.02 0.00 0.00 176.35 174.98 3iyl n SER 424 N 5.44 0.00 -3.41 2.29 7.64 -1.26 -3.79 113.62 120.53 3iyl n SER 424 Ca 0.24 0.36 -0.33 0.00 1.01 0.00 0.00 58.87 60.14 3iyl n SER 424 Cb 0.47 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.63 3iyl n SER 424 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3iyl n PRO 425 N -0.44 1.93 -2.60 1.43 -0.02 -1.24 -4.49 135.00 129.57 3iyl n PRO 425 Ca 0.00 -1.72 -0.43 0.00 -2.02 0.00 0.00 63.50 59.33 3iyl n PRO 425 Cb 0.00 -2.72 -0.02 0.00 -0.02 0.00 0.00 33.50 30.74 3iyl n PRO 425 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3iyl s LEU 426 N 0.71 3.72 0.20 2.45 2.96 -1.07 -4.53 118.68 123.11 3iyl s LEU 426 Ca 0.49 0.65 -0.31 0.00 -0.22 0.00 0.00 54.13 54.74 3iyl s LEU 426 Cb 0.13 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 43.17 3iyl s LEU 426 CO 0.03 -1.15 1.50 -0.63 -1.32 0.00 0.00 176.35 174.78 3iyl s ILE 427 N 4.25 2.66 0.00 6.68 1.01 -1.26 -2.05 121.20 132.49 3iyl s ILE 427 Ca 0.48 0.51 0.01 0.00 0.00 0.00 0.00 60.65 61.64 3iyl s ILE 427 Cb -0.09 -3.33 -0.00 0.00 0.01 0.00 0.00 42.46 39.05 3iyl s ILE 427 CO 0.27 0.06 -0.02 0.42 0.00 0.00 0.00 174.94 175.67 3iyl s THR 428 N 0.59 0.16 0.48 2.92 -4.23 -1.26 -4.90 115.64 109.40 3iyl s THR 428 Ca 0.65 -0.22 -0.16 0.00 -1.18 0.00 0.00 61.69 60.78 3iyl s THR 428 Cb -0.43 -0.17 -0.08 0.00 1.34 0.00 0.00 72.50 73.17 3iyl s THR 428 CO 0.37 -0.04 0.93 -0.89 -0.54 0.00 0.00 174.62 174.45 3iyl s THR 429 N -0.26 4.58 -0.22 3.99 2.01 -0.12 -4.86 115.64 120.76 3iyl s THR 429 Ca -0.02 1.11 -0.01 0.00 0.31 0.00 0.00 61.69 63.08 3iyl s THR 429 Cb -0.02 -3.71 -0.20 0.00 0.01 0.00 0.00 72.50 68.58 3iyl s THR 429 CO -0.00 -0.61 -0.04 1.41 -0.69 0.00 0.00 174.62 174.69 3iyl n HIS 430 N -1.41 0.40 -4.30 4.92 8.25 -1.26 -1.05 115.22 120.77 3iyl n HIS 430 Ca 0.06 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 3iyl n HIS 430 Cb 0.54 -1.05 0.00 0.00 1.12 0.00 0.00 29.99 30.60 3iyl n HIS 430 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3iyl n GLY 431 N 2.17 0.47 2.82 -1.41 0.00 -1.26 -3.12 105.19 104.86 3iyl n GLY 431 Ca -0.42 -0.89 -0.24 0.00 0.00 0.00 0.00 46.02 44.47 3iyl n GLY 431 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iyl s PHE 432 N 0.00 0.98 -0.07 1.61 0.08 -1.26 -4.84 117.98 114.47 3iyl s PHE 432 Ca 0.00 -0.38 0.15 0.00 0.12 0.00 0.00 56.93 56.81 3iyl s PHE 432 Cb 0.00 -0.96 0.12 0.00 -0.57 0.00 0.00 43.02 41.61 3iyl s PHE 432 CO 0.00 -0.40 1.47 0.00 -0.10 0.00 0.00 175.22 176.19 3iyl s VAL 434 N -3.02 1.34 0.00 0.00 1.01 -0.97 -2.42 120.40 116.34 3iyl s VAL 434 Ca 0.03 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.39 3iyl s VAL 434 Cb 0.08 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.27 3iyl s VAL 434 CO 0.75 0.40 0.00 0.35 0.00 0.00 0.00 175.10 176.59 3iyl n THR 435 N 3.59 0.00 -1.14 3.92 -2.24 -0.56 -1.48 114.28 116.37 3iyl n THR 435 Ca -0.21 -0.13 -0.30 0.00 -2.27 0.00 0.00 64.05 61.14 3iyl n THR 435 Cb 0.52 0.85 0.23 0.00 -2.10 0.00 0.00 70.33 69.83 3iyl n THR 435 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3iyl s GLY 436 N -0.36 1.59 0.00 3.38 0.00 -0.62 -4.95 107.32 106.36 3iyl s GLY 436 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.78 3iyl s GLY 436 CO 0.00 -0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.64 3iyl n GLY 437 N -1.14 -0.90 3.92 0.20 0.00 -1.26 -4.39 105.19 101.62 3iyl n GLY 437 Ca 0.13 -1.19 -0.20 0.00 0.00 0.00 0.00 46.02 44.76 3iyl n GLY 437 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iyl s VAL 438 N 0.00 3.91 -0.52 1.61 0.11 -1.26 -3.81 120.40 120.44 3iyl s VAL 438 Ca 0.00 -1.19 0.04 0.00 -2.93 0.00 0.00 61.98 57.90 3iyl s VAL 438 Cb 0.00 -3.33 0.39 0.00 -1.53 0.00 0.00 36.38 31.91 3iyl s VAL 438 CO 0.00 -0.18 1.15 0.33 -3.33 0.00 0.00 175.10 173.07 3iyl n PHE 439 N -1.48 3.54 -1.39 1.54 7.35 -1.12 -3.38 117.46 122.52 3iyl n PHE 439 Ca -0.02 -3.28 -0.38 0.00 -0.76 0.00 0.00 57.45 53.02 3iyl n PHE 439 Cb 0.59 -0.29 0.04 0.00 0.35 0.00 0.00 39.48 40.17 3iyl n PHE 439 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 3iyl n THR 440 N -0.41 1.79 -3.33 -2.13 -2.24 -1.26 -4.21 114.28 102.49 3iyl n THR 440 Ca 0.38 -0.48 -0.10 0.00 -2.27 0.00 0.00 64.05 61.58 3iyl n THR 440 Cb 0.55 -0.57 -0.07 0.00 -2.10 0.00 0.00 70.33 68.14 3iyl n THR 440 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3iyl s SER 441 N -1.20 0.52 0.68 3.42 1.04 -1.01 -4.82 113.70 112.33 3iyl s SER 441 Ca 0.66 -0.28 -0.13 0.00 0.48 0.00 0.00 55.95 56.68 3iyl s SER 441 Cb -0.43 1.03 0.01 0.00 0.10 0.00 0.00 66.02 66.73 3iyl s SER 441 CO 0.57 -0.35 1.08 -0.63 0.98 0.00 0.00 173.24 174.90 3iyl s ILE 442 N 2.52 3.56 -0.26 -1.02 1.01 -1.26 -3.34 121.20 122.42 3iyl s ILE 442 Ca 0.10 0.62 -0.07 0.00 0.00 0.00 0.00 60.65 61.30 3iyl s ILE 442 Cb -0.13 -3.18 0.12 0.00 0.01 0.00 0.00 42.46 39.28 3iyl s ILE 442 CO -0.27 -0.55 0.53 -0.31 0.00 0.00 0.00 174.94 174.34 3iyl s TYR 443 N -2.66 -1.12 -0.41 3.97 2.02 -0.41 -4.95 117.35 113.79 3iyl s TYR 443 Ca 0.63 1.83 -0.23 0.00 -0.37 0.00 0.00 57.07 58.92 3iyl s TYR 443 Cb -0.17 0.52 0.02 0.00 -0.40 0.00 0.00 41.96 41.93 3iyl s TYR 443 CO 0.47 -0.63 0.81 -0.51 -1.57 0.00 0.00 175.55 174.12 3iyl s ASP 444 N 2.76 6.50 -0.01 2.29 1.11 -1.26 -0.33 116.67 127.73 3iyl s ASP 444 Ca 0.00 0.17 -0.03 0.00 0.18 0.00 0.00 52.55 52.87 3iyl s ASP 444 Cb -0.13 -2.40 -0.28 0.00 1.07 0.00 0.00 42.92 41.18 3iyl s ASP 444 CO -0.17 -0.84 0.81 0.40 1.18 0.00 0.00 175.17 176.56 3iyl h ILE 445 N 5.88 1.10 0.00 0.77 1.08 -0.80 -3.21 117.51 122.32 3iyl h ILE 445 Ca -0.25 -2.75 0.00 0.00 -0.39 0.00 0.00 64.86 61.48 3iyl h ILE 445 Cb 1.09 2.74 0.00 0.00 -3.07 0.00 0.00 36.82 37.58 3iyl h ILE 445 CO 0.94 0.81 0.00 0.77 -0.69 0.00 0.00 178.15 179.99 3iyl h SER 446 N 0.07 0.00 0.74 1.72 4.64 -1.77 -3.33 113.55 115.62 3iyl h SER 446 Ca -0.26 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.02 3iyl h SER 446 Cb 2.02 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 64.12 3iyl h SER 446 CO 0.16 0.00 -0.36 1.23 -0.87 0.00 0.00 176.83 176.99 3iyl h GLY 447 N 3.65 -1.04 -5.04 -0.77 0.00 -1.81 -3.44 103.07 94.62 3iyl h GLY 447 Ca 0.00 0.39 -0.60 0.00 0.00 0.00 0.00 47.33 47.12 3iyl h GLY 447 CO 0.00 -0.38 0.75 1.22 0.00 0.00 0.00 176.54 178.13 3iyl n ASP 448 N -5.45 2.89 -0.54 0.19 9.92 -1.21 -4.89 116.55 117.46 3iyl n ASP 448 Ca -0.13 1.09 0.04 0.00 -0.53 0.00 0.00 54.79 55.26 3iyl n ASP 448 Cb 0.40 -1.39 0.12 0.00 -0.64 0.00 0.00 41.12 39.61 3iyl n ASP 448 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 3iyl n PRO 449 N 3.28 1.68 -4.19 -0.24 -0.02 -1.26 -4.84 135.00 129.41 3iyl n PRO 449 Ca 0.17 -1.01 -0.34 0.00 -2.02 0.00 0.00 63.50 60.30 3iyl n PRO 449 Cb 0.27 -1.24 -0.11 0.00 -0.02 0.00 0.00 33.50 32.40 3iyl n PRO 449 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3iyl s THR 450 N -1.63 4.41 0.15 3.45 2.01 -1.26 -5.06 115.64 117.70 3iyl s THR 450 Ca 0.19 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.71 3iyl s THR 450 Cb 0.10 -2.96 -0.07 0.00 0.01 0.00 0.00 72.50 69.59 3iyl s THR 450 CO 0.12 0.49 1.05 0.00 -0.69 0.00 0.00 174.62 175.59 3iyl s ALA 451 N 0.26 3.32 -0.26 7.40 0.00 -1.26 -1.94 121.76 129.29 3iyl s ALA 451 Ca 0.01 0.72 -0.02 0.00 0.00 0.00 0.00 51.96 52.67 3iyl s ALA 451 Cb -0.13 -3.33 0.08 0.00 0.00 0.00 0.00 23.12 19.75 3iyl s ALA 451 CO 0.01 -0.14 0.07 -0.47 0.00 0.00 0.00 175.76 175.23 3iyl s TYR 452 N -0.09 1.34 -0.48 0.00 6.14 0.30 -4.69 117.35 119.88 3iyl s TYR 452 Ca 0.49 -1.30 -0.29 0.00 0.64 0.00 0.00 57.07 56.61 3iyl s TYR 452 Cb -0.27 -1.35 -0.14 0.00 0.42 0.00 0.00 41.96 40.61 3iyl s TYR 452 CO 0.33 -0.76 1.68 -2.30 0.64 0.00 0.00 175.55 175.13 3iyl n PRO 453 N 4.96 0.00 0.14 4.97 -0.02 -1.26 -4.56 135.00 139.23 3iyl n PRO 453 Ca -0.06 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.50 3iyl n PRO 453 Cb 0.44 -1.08 0.42 0.00 -0.02 0.00 0.00 33.50 33.26 3iyl n PRO 453 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3iyl n PRO 454 N 5.65 0.10 0.08 0.52 -0.04 -1.26 -1.24 135.00 138.81 3iyl n PRO 454 Ca 0.42 0.58 -0.11 0.00 -0.04 0.00 0.00 63.50 64.36 3iyl n PRO 454 Cb -0.01 -1.97 -0.06 0.00 -0.04 0.00 0.00 33.50 31.42 3iyl n PRO 454 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iyl h ALA 455 N 1.62 0.37 -1.41 0.55 0.00 -1.86 -3.38 119.26 115.16 3iyl h ALA 455 Ca 0.00 -0.79 -0.72 0.00 0.00 0.00 0.00 54.91 53.40 3iyl h ALA 455 Cb 0.27 -0.06 -0.32 0.00 0.00 0.00 0.00 17.79 17.68 3iyl h ALA 455 CO 0.00 0.96 0.46 0.00 0.00 0.00 0.00 179.25 180.67 3iyl n GLN 456 N -3.60 3.90 -2.76 0.00 10.64 -0.38 -4.97 117.38 120.21 3iyl n GLN 456 Ca -0.05 -4.33 -0.22 0.00 -1.83 0.00 0.00 57.00 50.58 3iyl n GLN 456 Cb 0.88 -2.33 0.08 0.00 -0.86 0.00 0.00 30.24 28.02 3iyl n GLN 456 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3iyl s LEU 457 N -3.98 3.06 -0.83 2.61 2.01 -1.26 -4.94 118.68 115.36 3iyl s LEU 457 Ca 0.46 -0.52 -0.26 0.00 0.01 0.00 0.00 54.13 53.83 3iyl s LEU 457 Cb 0.32 -1.93 0.04 0.00 0.01 0.00 0.00 46.19 44.63 3iyl s LEU 457 CO -0.23 -1.60 1.33 -0.69 1.01 0.00 0.00 176.35 176.17 3iyl s VAL 458 N -2.92 3.80 0.59 -1.59 1.01 -1.26 -4.87 120.40 115.15 3iyl s VAL 458 Ca 0.64 -0.00 -0.19 0.00 0.00 0.00 0.00 61.98 62.43 3iyl s VAL 458 Cb -0.06 -4.96 -0.04 0.00 0.00 0.00 0.00 36.38 31.32 3iyl s VAL 458 CO 0.42 -1.88 1.18 -0.62 0.00 0.00 0.00 175.10 174.20 3iyl s ASP 459 N 4.14 5.30 -0.25 3.32 2.15 -1.26 -4.60 116.67 125.48 3iyl s ASP 459 Ca 0.38 2.31 -0.39 0.00 0.43 0.00 0.00 52.55 55.29 3iyl s ASP 459 Cb -0.06 -2.59 -0.18 0.00 -0.30 0.00 0.00 42.92 39.79 3iyl s ASP 459 CO 0.07 -1.51 1.22 0.00 -0.17 0.00 0.00 175.17 174.77 3iyl n ALA 460 N -1.58 -2.17 -1.79 3.66 0.00 -1.26 -4.81 120.51 112.56 3iyl n ALA 460 Ca 0.13 0.49 -0.41 0.00 0.00 0.00 0.00 53.44 53.64 3iyl n ALA 460 Cb 0.50 -1.65 -0.01 0.00 0.00 0.00 0.00 19.45 18.28 3iyl n ALA 460 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3iyl s PRO 461 N 1.47 4.17 0.01 0.00 0.04 -1.26 -4.94 135.00 134.48 3iyl s PRO 461 Ca 0.88 2.49 -0.02 0.00 0.04 0.00 0.00 61.00 64.40 3iyl s PRO 461 Cb -1.25 -3.03 -0.00 0.00 0.04 0.00 0.00 34.50 30.25 3iyl s PRO 461 CO 0.63 -0.53 1.03 -0.97 0.04 0.00 0.00 177.00 177.20 3iyl h ASN 462 N 4.36 -0.10 -1.02 6.66 -0.73 -1.99 -2.37 115.58 120.38 3iyl h ASN 462 Ca -0.48 0.01 0.41 0.00 1.87 0.00 0.00 56.30 58.12 3iyl h ASN 462 Cb 1.22 0.04 -0.16 0.00 0.27 0.00 0.00 38.32 39.69 3iyl h ASN 462 CO 0.74 -0.02 0.58 -0.90 -0.37 0.00 0.00 177.43 177.47 3iyl n ASP 463 N -2.97 0.31 -0.15 1.15 5.68 -1.26 -3.27 116.55 116.04 3iyl n ASP 463 Ca -0.00 1.52 -0.03 0.00 -0.50 0.00 0.00 54.79 55.78 3iyl n ASP 463 Cb 0.01 -0.74 -0.03 0.00 -1.14 0.00 0.00 41.12 39.22 3iyl n ASP 463 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3iyl n TYR 464 N -5.04 -0.13 -2.96 2.11 4.19 -0.89 -2.99 117.16 111.44 3iyl n TYR 464 Ca 0.36 0.44 -0.44 0.00 3.31 0.00 0.00 57.90 61.58 3iyl n TYR 464 Cb 1.28 -0.54 -0.04 0.00 0.49 0.00 0.00 39.34 40.53 3iyl n TYR 464 CO 0.00 0.00 0.00 -0.06 0.91 0.00 0.00 176.86 177.71 3iyl s PHE 465 N -5.19 2.81 -0.22 2.98 0.08 -1.20 -4.19 117.98 113.04 3iyl s PHE 465 Ca -0.04 -0.72 -0.27 0.00 0.12 0.00 0.00 56.93 56.01 3iyl s PHE 465 Cb 0.04 -4.17 0.11 0.00 -0.57 0.00 0.00 43.02 38.43 3iyl s PHE 465 CO 0.22 -1.50 0.96 0.34 -0.10 0.00 0.00 175.22 175.14 3iyl s ASP 466 N 3.65 -0.47 0.30 1.36 2.15 -1.16 -5.00 116.67 117.50 3iyl s ASP 466 Ca 0.18 0.75 0.05 0.00 0.43 0.00 0.00 52.55 53.96 3iyl s ASP 466 Cb -0.20 0.71 0.77 0.00 -0.30 0.00 0.00 42.92 43.90 3iyl s ASP 466 CO 0.09 -0.26 1.68 0.03 -0.17 0.00 0.00 175.17 176.53 3iyl h ARG 467 N 3.62 0.32 0.03 4.34 3.08 -1.93 0.42 114.38 124.27 3iyl h ARG 467 Ca -0.25 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 3iyl h ARG 467 Cb 1.17 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.14 3iyl h ARG 467 CO 0.19 0.21 -0.01 0.93 -1.07 0.00 0.00 179.97 180.22 3iyl h GLU 468 N 0.33 -0.04 0.08 0.04 5.08 -1.96 -2.40 114.58 115.71 3iyl h GLU 468 Ca 0.58 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.94 3iyl h GLU 468 Cb 1.16 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3iyl h GLU 468 CO -0.58 0.59 -0.04 -0.09 -1.00 0.00 0.00 179.01 177.89 3iyl h ARG 469 N -0.72 -0.10 -0.76 2.33 9.65 -1.72 -2.86 114.38 120.20 3iyl h ARG 469 Ca -0.00 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.93 3iyl h ARG 469 Cb 0.65 0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 29.20 3iyl h ARG 469 CO 0.01 0.21 0.47 0.52 2.80 0.00 0.00 179.97 183.97 3iyl h MET 470 N -0.41 0.86 -0.57 0.20 2.86 -0.32 0.15 114.93 117.70 3iyl h MET 470 Ca -0.01 -0.05 0.11 0.00 -2.06 0.00 0.00 59.70 57.69 3iyl h MET 470 Cb 0.35 -0.19 -0.09 0.00 0.06 0.00 0.00 31.60 31.72 3iyl h MET 470 CO 0.02 0.57 0.03 0.00 1.06 0.00 0.00 176.91 178.58 3iyl h ALA 471 N 1.34 0.58 -0.13 6.32 0.00 -1.38 0.16 119.26 126.15 3iyl h ALA 471 Ca 0.32 0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.33 3iyl h ALA 471 Cb 0.09 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3iyl h ALA 471 CO -0.14 -0.37 -0.16 0.00 0.00 0.00 0.00 179.25 178.58 3iyl h ARG 472 N 0.14 0.34 -0.73 0.00 3.08 -1.12 0.28 114.38 116.36 3iyl h ARG 472 Ca 0.30 -0.19 0.16 0.00 0.07 0.00 0.00 59.98 60.32 3iyl h ARG 472 Cb 0.46 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.48 3iyl h ARG 472 CO -0.46 0.75 0.50 -0.09 -1.07 0.00 0.00 179.97 179.60 3iyl h ARG 473 N -0.06 0.31 0.03 0.04 2.43 -0.02 0.13 114.38 117.24 3iyl h ARG 473 Ca 0.02 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 3iyl h ARG 473 Cb 0.71 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.19 3iyl h ARG 473 CO 0.04 0.21 -0.30 0.22 -1.51 0.00 0.00 179.97 178.63 3iyl h ASP 474 N 0.32 0.21 -0.31 -3.80 3.58 -0.56 -3.10 116.42 112.76 3iyl h ASP 474 Ca 0.36 -0.87 0.06 0.00 0.42 0.00 0.00 57.03 57.00 3iyl h ASP 474 Cb 0.95 -0.07 -0.06 0.00 1.72 0.00 0.00 39.33 41.87 3iyl h ASP 474 CO -0.10 1.06 -0.08 0.25 -2.88 0.00 0.00 179.24 177.49 3iyl h LEU 475 N -0.61 -0.31 -0.80 2.28 6.46 0.37 -1.14 115.31 121.56 3iyl h LEU 475 Ca -0.05 0.10 0.10 0.00 -0.12 0.00 0.00 57.88 57.90 3iyl h LEU 475 Cb 1.13 0.20 -0.07 0.00 -0.73 0.00 0.00 40.66 41.19 3iyl h LEU 475 CO 0.06 -0.11 0.45 0.15 -0.62 0.00 0.00 178.44 178.37 3iyl h PHE 476 N -0.01 0.81 -0.50 1.25 -0.00 -0.92 -1.82 116.94 115.75 3iyl h PHE 476 Ca 0.15 0.03 0.10 0.00 -0.00 0.00 0.00 57.97 58.25 3iyl h PHE 476 Cb 0.24 -0.24 -0.09 0.00 -0.00 0.00 0.00 35.95 35.85 3iyl h PHE 476 CO -0.30 0.32 -0.10 -0.09 -0.00 0.00 0.00 178.31 178.15 3iyl h ARG 477 N 0.75 0.02 0.00 1.11 2.43 -1.13 -1.50 114.38 116.06 3iyl h ARG 477 Ca 0.39 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.51 3iyl h ARG 477 Cb 0.37 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 3iyl h ARG 477 CO -0.25 0.02 -0.24 0.00 -1.51 0.00 0.00 179.97 177.98 3iyl h ARG 478 N 0.02 0.00 -0.15 0.20 3.08 -1.06 -3.07 114.38 113.40 3iyl h ARG 478 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 3iyl h ARG 478 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3iyl h ARG 478 CO -0.49 0.24 0.00 1.28 -1.07 0.00 0.00 179.97 179.92 3iyl n LEU 479 N -3.25 0.15 -4.18 3.04 4.77 -0.57 -4.54 117.00 112.42 3iyl n LEU 479 Ca 0.02 -0.07 -0.37 0.00 -0.03 0.00 0.00 56.01 55.55 3iyl n LEU 479 Cb 0.53 -0.07 -0.12 0.00 -2.33 0.00 0.00 43.42 41.43 3iyl n LEU 479 CO 0.35 0.04 -0.20 -0.60 -1.33 0.00 0.00 177.39 175.65 3iyl s ARG 480 N -1.78 2.30 -0.40 3.23 3.52 -1.16 -0.58 118.95 124.07 3iyl s ARG 480 Ca 0.00 -1.56 -0.37 0.00 -0.13 0.00 0.00 55.73 53.66 3iyl s ARG 480 Cb 0.00 -3.54 -0.14 0.00 -1.56 0.00 0.00 34.95 29.71 3iyl s ARG 480 CO 0.00 -0.92 2.19 0.00 -0.81 0.00 0.00 175.30 175.76 3iyl n ALA 481 N 4.70 0.84 -3.06 6.12 0.00 -0.55 -4.99 120.51 123.58 3iyl n ALA 481 Ca -0.07 -0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 3iyl n ALA 481 Cb 0.42 -2.42 0.03 0.00 0.00 0.00 0.00 19.45 17.48 3iyl n ALA 481 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3iyl n PRO 482 N 8.03 0.81 0.00 0.00 -0.04 -1.26 -4.80 135.00 137.74 3iyl n PRO 482 Ca 0.45 -1.63 0.00 0.00 -0.04 0.00 0.00 63.50 62.28 3iyl n PRO 482 Cb 0.16 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.51 3iyl n PRO 482 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3iyl n ARG 485 N -1.63 4.02 0.08 0.54 1.74 -1.26 -5.25 116.66 114.90 3iyl n ARG 485 Ca 0.08 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.20 3iyl n ARG 485 Cb 0.31 -0.33 0.47 0.00 -1.02 0.00 0.00 32.46 31.88 3iyl n ARG 485 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3iyl h SER 486 N 0.00 0.31 -1.10 0.55 4.64 -2.02 -0.47 113.55 115.46 3iyl h SER 486 Ca 0.00 -0.02 0.30 0.00 -0.47 0.00 0.00 61.79 61.60 3iyl h SER 486 Cb 0.00 -0.08 -0.10 0.00 -0.31 0.00 0.00 62.40 61.91 3iyl h SER 486 CO 0.00 0.27 0.72 0.00 -0.87 0.00 0.00 176.83 176.95 3iyl h ALA 487 N 1.78 2.40 0.00 5.18 0.00 -2.00 1.16 119.26 127.78 3iyl h ALA 487 Ca 0.09 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3iyl h ALA 487 Cb 0.05 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3iyl h ALA 487 CO -0.01 -0.84 -0.19 0.82 0.00 0.00 0.00 179.25 179.02 3iyl h ILE 488 N 0.30 0.00 0.02 0.00 2.04 -1.54 -3.16 117.51 115.18 3iyl h ILE 488 Ca 0.63 -0.85 0.01 0.00 1.00 0.00 0.00 64.86 65.66 3iyl h ILE 488 Cb 1.77 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 3iyl h ILE 488 CO -0.30 0.00 -0.33 0.11 0.00 0.00 0.00 178.15 177.63 3iyl h LYS 489 N -0.85 -0.42 -0.54 2.37 1.57 -0.74 0.68 116.57 118.64 3iyl h LYS 489 Ca 0.00 0.03 0.10 0.00 -1.87 0.00 0.00 60.65 58.91 3iyl h LYS 489 Cb 0.19 0.09 -0.11 0.00 0.08 0.00 0.00 32.23 32.49 3iyl h LYS 489 CO 0.00 -0.28 -0.30 -0.44 -0.57 0.00 0.00 179.45 177.87 3iyl h ASP 490 N -0.43 -1.02 -0.99 0.86 3.32 0.11 0.30 116.42 118.57 3iyl h ASP 490 Ca 0.00 0.21 0.02 0.00 0.02 0.00 0.00 57.03 57.28 3iyl h ASP 490 Cb 0.46 0.52 -0.05 0.00 0.22 0.00 0.00 39.33 40.47 3iyl h ASP 490 CO -0.21 -0.29 0.65 -0.09 -1.72 0.00 0.00 179.24 177.58 3iyl h ARG 491 N -0.16 1.28 -0.37 3.56 2.43 -1.43 -1.89 114.38 117.80 3iyl h ARG 491 Ca 0.23 -0.08 0.04 0.00 -0.81 0.00 0.00 59.98 59.37 3iyl h ARG 491 Cb 0.53 -0.29 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 3iyl h ARG 491 CO -0.63 0.84 0.13 0.00 -1.51 0.00 0.00 179.97 178.80 3iyl h ALA 492 N 1.39 0.43 -0.47 2.80 0.00 0.38 0.28 119.26 124.07 3iyl h ALA 492 Ca 0.37 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 3iyl h ALA 492 Cb -0.11 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3iyl h ALA 492 CO -0.09 -0.27 0.10 0.28 0.00 0.00 0.00 179.25 179.27 3iyl h VAL 493 N 0.28 1.21 0.00 0.00 2.07 -0.33 -2.37 116.25 117.10 3iyl h VAL 493 Ca 0.17 -0.78 -0.13 0.00 0.82 0.00 0.00 66.70 66.78 3iyl h VAL 493 Cb 0.15 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3iyl h VAL 493 CO -0.17 0.28 -0.62 -0.26 0.02 0.00 0.00 177.57 176.81 3iyl h PHE 494 N 0.70 0.00 -0.71 1.57 0.04 -0.57 0.38 116.94 118.35 3iyl h PHE 494 Ca 0.15 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.93 3iyl h PHE 494 Cb 0.29 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.40 3iyl h PHE 494 CO 0.01 0.62 0.47 -0.44 -0.60 0.00 0.00 178.31 178.38 3iyl h ASP 495 N 0.00 0.81 0.00 2.17 3.32 0.05 -1.04 116.42 121.73 3iyl h ASP 495 Ca -0.01 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 3iyl h ASP 495 Cb 1.27 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 3iyl h ASP 495 CO 0.08 0.59 -0.13 0.15 -1.72 0.00 0.00 179.24 178.21 3iyl h PHE 496 N 0.96 0.00 -0.31 4.55 3.04 -1.26 -3.31 116.94 120.62 3iyl h PHE 496 Ca 0.26 0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.30 3iyl h PHE 496 Cb -0.11 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.39 3iyl h PHE 496 CO 0.00 1.04 0.55 -0.07 -2.02 0.00 0.00 178.31 177.80 3iyl h LEU 497 N -1.00 0.00 -0.49 0.59 3.38 -0.01 0.75 115.31 118.53 3iyl h LEU 497 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3iyl h LEU 497 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3iyl h LEU 497 CO -0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.51 3iyl n ALA 498 N -2.10 1.73 0.34 1.53 0.00 -0.42 -2.55 120.51 119.04 3iyl n ALA 498 Ca 0.05 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.65 3iyl n ALA 498 Cb 0.68 -1.37 0.05 0.00 0.00 0.00 0.00 19.45 18.81 3iyl n ALA 498 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3iyl n SER 499 N -2.08 0.73 -0.98 0.00 3.41 0.26 -3.85 113.62 111.11 3iyl n SER 499 Ca 0.03 0.15 0.08 0.00 -0.26 0.00 0.00 58.87 58.87 3iyl n SER 499 Cb 0.24 0.47 0.23 0.00 -0.26 0.00 0.00 64.21 64.88 3iyl n SER 499 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3iyl n LEU 500 N -2.35 2.84 -4.63 1.04 4.77 -1.06 -4.90 117.00 112.72 3iyl n LEU 500 Ca 0.01 -1.42 -0.42 0.00 -0.03 0.00 0.00 56.01 54.15 3iyl n LEU 500 Cb 0.49 -0.37 -0.05 0.00 -2.33 0.00 0.00 43.42 41.17 3iyl n LEU 500 CO 0.39 0.64 0.59 0.54 -1.33 0.00 0.00 177.39 178.23 3iyl s VAL 501 N -1.44 4.83 -0.29 4.08 0.11 -1.25 -4.79 120.40 121.65 3iyl s VAL 501 Ca 0.34 1.34 -0.05 0.00 -2.93 0.00 0.00 61.98 60.67 3iyl s VAL 501 Cb 0.19 -4.11 0.02 0.00 -1.53 0.00 0.00 36.38 30.94 3iyl s VAL 501 CO 0.21 -0.15 0.05 0.21 -3.33 0.00 0.00 175.10 172.09 3iyl s ASN 502 N 1.49 4.97 0.36 3.54 2.47 -0.46 -4.92 114.94 122.38 3iyl s ASN 502 Ca 0.33 -0.82 0.19 0.00 0.42 0.00 0.00 52.86 52.98 3iyl s ASN 502 Cb -0.15 -1.82 0.40 0.00 -1.45 0.00 0.00 41.25 38.22 3iyl s ASN 502 CO 0.10 -0.20 1.60 1.55 -3.72 0.00 0.00 177.10 176.43 3iyl h PRO 503 N 8.17 0.00 -7.28 0.43 0.13 -1.86 -1.80 132.00 129.79 3iyl h PRO 503 Ca -0.30 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.31 3iyl h PRO 503 Cb 1.11 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.40 3iyl h PRO 503 CO 0.59 0.33 0.29 0.95 -0.23 0.00 0.00 178.00 179.93 3iyl s THR 504 N -3.23 2.67 0.13 1.56 -4.23 -1.26 -4.91 115.64 106.37 3iyl s THR 504 Ca 0.03 0.23 -0.05 0.00 -1.18 0.00 0.00 61.69 60.72 3iyl s THR 504 Cb 0.08 -2.52 -0.18 0.00 1.34 0.00 0.00 72.50 71.22 3iyl s THR 504 CO 0.70 -0.27 1.30 0.71 -0.54 0.00 0.00 174.62 176.52 3iyl h THR 505 N -1.31 1.38 -0.97 3.99 1.35 -2.00 -2.93 112.91 112.42 3iyl h THR 505 Ca -0.44 -2.38 0.18 0.00 -0.55 0.00 0.00 66.41 63.22 3iyl h THR 505 Cb 1.25 2.37 -0.17 0.00 -1.73 0.00 0.00 68.15 69.87 3iyl h THR 505 CO 0.47 0.72 -0.29 0.00 -0.25 0.00 0.00 175.52 176.17 3iyl n ALA 506 N -2.55 0.11 -2.86 6.62 0.00 -1.26 -3.99 120.51 116.57 3iyl n ALA 506 Ca -0.07 1.03 -0.04 0.00 0.00 0.00 0.00 53.44 54.36 3iyl n ALA 506 Cb 0.82 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.71 3iyl n ALA 506 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3iyl s ASN 507 N -5.29 -1.35 0.44 0.00 4.22 -1.25 -5.16 114.94 106.56 3iyl s ASN 507 Ca -0.14 -1.62 -0.24 0.00 -2.14 0.00 0.00 52.86 48.72 3iyl s ASN 507 Cb 0.24 1.82 -0.08 0.00 1.28 0.00 0.00 41.25 44.52 3iyl s ASN 507 CO 0.73 -0.08 1.23 -2.16 -2.04 0.00 0.00 177.10 174.79 3iyl s PRO 508 N 1.01 3.80 -0.19 3.55 0.04 -1.11 -4.83 135.00 137.27 3iyl s PRO 508 Ca 0.28 1.96 -0.05 0.00 0.04 0.00 0.00 61.00 63.24 3iyl s PRO 508 Cb -0.01 -2.55 0.07 0.00 0.04 0.00 0.00 34.50 32.06 3iyl s PRO 508 CO -0.06 -0.57 0.13 0.08 0.04 0.00 0.00 177.00 176.62 3iyl s VAL 509 N -1.40 -0.15 -1.14 -0.36 1.01 -0.68 -4.78 120.40 112.89 3iyl s VAL 509 Ca 0.61 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.39 3iyl s VAL 509 Cb -0.33 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.41 3iyl s VAL 509 CO 0.42 -0.30 0.00 0.18 0.00 0.00 0.00 175.10 175.39 3iyl n LEU 510 N 5.29 -1.59 -4.77 3.92 4.77 -1.26 -1.35 117.00 122.01 3iyl n LEU 510 Ca -0.06 -0.01 -0.41 0.00 -0.03 0.00 0.00 56.01 55.50 3iyl n LEU 510 Cb 0.49 -2.06 -0.00 0.00 -2.33 0.00 0.00 43.42 39.52 3iyl n LEU 510 CO 0.09 -0.15 1.11 -0.67 -1.33 0.00 0.00 177.39 176.43 3iyl n ASP 511 N -0.54 3.66 -2.05 -1.43 -0.08 -1.26 -4.68 116.55 110.16 3iyl n ASP 511 Ca -0.16 1.22 -0.26 0.00 -1.51 0.00 0.00 54.79 54.08 3iyl n ASP 511 Cb 0.62 -1.60 -0.03 0.00 2.34 0.00 0.00 41.12 42.44 3iyl n ASP 511 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3iyl n THR 512 N 0.39 0.18 -1.19 5.18 -2.24 -1.26 -1.28 114.28 114.06 3iyl n THR 512 Ca 0.02 -0.04 -0.06 0.00 -2.27 0.00 0.00 64.05 61.69 3iyl n THR 512 Cb 0.39 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.59 3iyl n THR 512 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3iyl n SER 513 N 0.73 -3.79 -4.77 3.42 7.64 -0.81 -4.89 113.62 111.15 3iyl n SER 513 Ca 0.09 0.16 -0.39 0.00 1.01 0.00 0.00 58.87 59.74 3iyl n SER 513 Cb 0.05 -1.86 -0.01 0.00 -1.01 0.00 0.00 64.21 61.38 3iyl n SER 513 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3iyl s PHE 514 N -2.24 2.86 0.46 1.43 -0.71 -0.40 -2.43 117.98 116.95 3iyl s PHE 514 Ca 0.00 1.44 -0.21 0.00 -1.04 0.00 0.00 56.93 57.13 3iyl s PHE 514 Cb 0.00 -3.61 -0.10 0.00 -1.21 0.00 0.00 43.02 38.10 3iyl s PHE 514 CO 0.00 -1.93 1.00 -1.54 -1.34 0.00 0.00 175.22 171.41 3iyl s SER 515 N -0.83 6.60 -0.03 1.98 1.04 -1.26 -2.53 113.70 118.67 3iyl s SER 515 Ca 0.57 1.84 0.02 0.00 0.48 0.00 0.00 55.95 58.86 3iyl s SER 515 Cb -0.36 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.21 3iyl s SER 515 CO 0.47 -0.60 -0.09 -0.32 0.98 0.00 0.00 173.24 173.68 3iyl s MET 516 N -3.17 0.95 -0.00 4.02 0.00 -0.65 -1.66 119.30 118.79 3iyl s MET 516 Ca 0.65 -0.30 -0.00 0.00 0.00 0.00 0.00 55.69 56.04 3iyl s MET 516 Cb -0.14 -0.89 -0.04 0.00 0.00 0.00 0.00 34.83 33.76 3iyl s MET 516 CO 0.17 0.11 0.08 0.00 0.00 0.00 0.00 175.02 175.38 3iyl s ALA 517 N 0.21 3.57 -0.05 4.11 0.00 -0.15 -0.03 121.76 129.42 3iyl s ALA 517 Ca -0.03 -0.88 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 3iyl s ALA 517 Cb -0.09 -1.57 0.04 0.00 0.00 0.00 0.00 23.12 21.50 3iyl s ALA 517 CO 0.00 0.69 0.11 -0.47 0.00 0.00 0.00 175.76 176.09 3iyl s TYR 518 N -1.19 -0.09 -0.15 0.00 5.04 -0.31 -2.82 117.35 117.83 3iyl s TYR 518 Ca 0.23 0.36 0.02 0.00 -2.44 0.00 0.00 57.07 55.24 3iyl s TYR 518 Cb -0.12 -0.15 0.01 0.00 0.35 0.00 0.00 41.96 42.05 3iyl s TYR 518 CO 0.14 -0.15 -0.21 -0.48 -1.34 0.00 0.00 175.55 173.51 3iyl s LEU 519 N 1.22 2.11 0.00 6.97 2.34 -1.22 0.19 118.68 130.29 3iyl s LEU 519 Ca -0.08 -0.62 0.00 0.00 0.06 0.00 0.00 54.13 53.49 3iyl s LEU 519 Cb -0.12 -1.45 0.00 0.00 -0.56 0.00 0.00 46.19 44.06 3iyl s LEU 519 CO -0.05 0.05 0.00 0.61 -1.06 0.00 0.00 176.35 175.90 3iyl n GLY 520 N 4.26 1.74 3.34 -3.48 0.00 -0.93 -3.64 105.19 106.48 3iyl n GLY 520 Ca -0.20 -1.08 -0.15 0.00 0.00 0.00 0.00 46.02 44.60 3iyl n GLY 520 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iyl s ALA 521 N 0.00 -1.13 0.00 4.61 0.00 -1.26 -4.78 121.76 119.20 3iyl s ALA 521 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.57 3iyl s ALA 521 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.24 3iyl s ALA 521 CO 0.00 -0.34 0.00 0.45 0.00 0.00 0.00 175.76 175.87 3iyl n SER 522 N 0.98 0.00 0.00 0.00 2.88 -1.26 -4.37 113.62 111.85 3iyl n SER 522 Ca -0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 3iyl n SER 522 Cb 0.57 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 3iyl n SER 522 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3iyl n ASP 529 N -2.47 0.00 -4.78 -3.46 -0.08 -1.26 -5.02 116.55 99.48 3iyl n ASP 529 Ca 0.00 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.93 3iyl n ASP 529 Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 3iyl n ASP 529 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 3iyl s GLU 530 N 0.00 3.68 0.18 -0.67 -1.05 -1.26 -4.91 118.70 114.67 3iyl s GLU 530 Ca 0.00 1.54 -0.31 0.00 -0.15 0.00 0.00 54.97 56.04 3iyl s GLU 530 Cb 0.00 -2.17 -0.16 0.00 -0.44 0.00 0.00 34.13 31.36 3iyl s GLU 530 CO 0.00 -0.56 0.91 -2.30 0.95 0.00 0.00 175.26 174.25 3iyl n PRO 531 N -0.89 0.65 0.27 -4.83 -0.02 -1.26 -4.80 135.00 124.12 3iyl n PRO 531 Ca 0.09 0.23 0.14 0.00 -2.02 0.00 0.00 63.50 61.94 3iyl n PRO 531 Cb 0.51 -1.54 0.79 0.00 -0.02 0.00 0.00 33.50 33.24 3iyl n PRO 531 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3iyl h VAL 532 N 2.03 0.53 -0.01 -1.45 2.07 -1.99 -2.34 116.25 115.09 3iyl h VAL 532 Ca -0.39 -0.38 -0.10 0.00 0.82 0.00 0.00 66.70 66.65 3iyl h VAL 532 Cb 1.39 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 3iyl h VAL 532 CO 0.63 0.08 -0.47 -0.29 0.02 0.00 0.00 177.57 177.54 3iyl h ILE 533 N 0.00 1.34 -0.72 4.57 2.10 -1.94 -3.16 117.51 119.70 3iyl h ILE 533 Ca -0.00 -1.63 0.10 0.00 1.08 0.00 0.00 64.86 64.40 3iyl h ILE 533 Cb 0.24 1.87 -0.07 0.00 -1.09 0.00 0.00 36.82 37.77 3iyl h ILE 533 CO 0.01 0.47 0.36 -0.07 -1.08 0.00 0.00 178.15 177.84 3iyl h LEU 534 N 0.02 0.47 -0.67 2.19 3.38 -1.76 -0.70 115.31 118.23 3iyl h LEU 534 Ca -0.00 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.12 3iyl h LEU 534 Cb 0.85 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.51 3iyl h LEU 534 CO 0.06 0.26 0.32 0.00 0.09 0.00 0.00 178.44 179.18 3iyl h ALA 535 N 1.44 0.92 -0.51 1.53 0.00 -1.70 -2.65 119.26 118.29 3iyl h ALA 535 Ca 0.36 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.22 3iyl h ALA 535 Cb 0.38 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3iyl h ALA 535 CO -0.27 -0.08 -0.10 -0.44 0.00 0.00 0.00 179.25 178.35 3iyl h ASP 536 N 0.55 0.97 -0.77 0.00 5.19 -1.29 -2.20 116.42 118.88 3iyl h ASP 536 Ca 0.33 -0.35 -0.01 0.00 -0.62 0.00 0.00 57.03 56.38 3iyl h ASP 536 Cb 0.35 -0.26 -0.04 0.00 0.18 0.00 0.00 39.33 39.56 3iyl h ASP 536 CO -0.27 1.10 0.44 0.40 -3.12 0.00 0.00 179.24 177.79 3iyl h ILE 537 N 0.82 1.23 0.00 0.35 1.08 -0.95 -0.52 117.51 119.52 3iyl h ILE 537 Ca 0.13 -0.54 0.00 0.00 -0.39 0.00 0.00 64.86 64.06 3iyl h ILE 537 Cb 0.66 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.60 3iyl h ILE 537 CO 0.05 0.24 0.00 0.03 -0.69 0.00 0.00 178.15 177.78 3iyl h ARG 538 N 1.06 0.00 0.00 2.37 3.08 -1.44 -2.55 114.38 116.89 3iyl h ARG 538 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3iyl h ARG 538 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3iyl h ARG 538 CO -0.05 0.00 -0.51 0.77 -1.07 0.00 0.00 179.97 179.11 3iyl h SER 539 N 0.00 0.00 -0.05 7.04 0.02 -0.59 -3.47 113.55 116.50 3iyl h SER 539 Ca 0.00 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 3iyl h SER 539 Cb 0.62 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 3iyl h SER 539 CO 0.00 0.05 -0.02 0.61 -1.14 0.00 0.00 176.83 176.33 3iyl n GLY 540 N 1.26 0.40 0.19 -3.77 0.00 -0.31 -4.89 105.19 98.08 3iyl n GLY 540 Ca 0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 46.02 45.93 3iyl n GLY 540 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3iyl h SER 541 N 0.00 -0.29 -2.35 1.61 0.87 -1.58 -3.37 113.55 108.44 3iyl h SER 541 Ca -0.02 0.13 -0.53 0.00 -1.23 0.00 0.00 61.79 60.14 3iyl h SER 541 Cb 0.37 0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.54 3iyl h SER 541 CO 0.03 -0.10 1.29 -0.63 -0.53 0.00 0.00 176.83 176.88 3iyl s ILE 542 N -6.19 3.47 0.10 2.23 1.01 -1.26 -4.93 121.20 115.64 3iyl s ILE 542 Ca -0.14 0.38 -0.34 0.00 0.00 0.00 0.00 60.65 60.56 3iyl s ILE 542 Cb 0.16 -3.92 -0.13 0.00 0.01 0.00 0.00 42.46 38.57 3iyl s ILE 542 CO 0.72 -0.78 1.66 -0.81 0.00 0.00 0.00 174.94 175.73 3iyl n PRO 543 N 8.84 2.21 0.00 2.79 -0.04 -1.26 -2.74 135.00 144.80 3iyl n PRO 543 Ca 0.20 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.46 3iyl n PRO 543 Cb 0.50 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 3iyl n PRO 543 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3iyl n GLY 544 N 3.70 1.98 3.67 0.55 0.00 -1.23 -4.60 105.19 109.26 3iyl n GLY 544 Ca 0.18 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3iyl n GLY 544 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iyl s LEU 545 N 0.00 4.15 0.74 0.99 2.96 -1.11 -4.24 118.68 122.17 3iyl s LEU 545 Ca 0.00 0.32 -0.11 0.00 -0.22 0.00 0.00 54.13 54.12 3iyl s LEU 545 Cb 0.00 -2.30 0.04 0.00 0.50 0.00 0.00 46.19 44.43 3iyl s LEU 545 CO 0.00 0.01 1.08 -2.16 -1.32 0.00 0.00 176.35 173.97 3iyl s PRO 546 N 1.08 2.51 -0.26 0.98 0.04 -1.26 -4.83 135.00 133.26 3iyl s PRO 546 Ca 0.13 1.11 -0.29 0.00 0.04 0.00 0.00 61.00 62.00 3iyl s PRO 546 Cb -0.14 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.47 3iyl s PRO 546 CO 0.06 -1.44 1.31 0.42 0.04 0.00 0.00 177.00 177.38 3iyl s ILE 547 N -2.91 4.15 0.48 0.56 1.01 -1.26 -4.79 121.20 118.43 3iyl s ILE 547 Ca 0.60 1.32 -0.23 0.00 0.00 0.00 0.00 60.65 62.35 3iyl s ILE 547 Cb -0.16 -4.08 -0.07 0.00 0.01 0.00 0.00 42.46 38.16 3iyl s ILE 547 CO 0.55 -0.37 1.24 -2.16 0.00 0.00 0.00 174.94 174.20 3iyl s PRO 548 N 4.02 3.61 0.09 2.79 0.04 -1.26 -1.93 135.00 142.36 3iyl s PRO 548 Ca 0.57 1.96 -0.35 0.00 0.04 0.00 0.00 61.00 63.22 3iyl s PRO 548 Cb -0.19 -2.42 -0.17 0.00 0.04 0.00 0.00 34.50 31.77 3iyl s PRO 548 CO 0.21 -0.72 1.58 -0.09 0.04 0.00 0.00 177.00 178.02 3iyl h ARG 549 N 1.97 -0.95 -3.38 4.56 9.65 -1.18 -3.45 114.38 121.61 3iyl h ARG 549 Ca -0.50 0.06 -0.14 0.00 -1.10 0.00 0.00 59.98 58.30 3iyl h ARG 549 Cb 1.26 0.22 -0.21 0.00 -1.39 0.00 0.00 29.97 29.85 3iyl h ARG 549 CO 0.60 -0.63 -0.44 -0.98 2.80 0.00 0.00 179.97 181.31 3iyl s ARG 550 N -5.92 0.49 -0.18 0.20 1.70 -1.26 -5.06 118.95 108.92 3iyl s ARG 550 Ca -0.18 -0.28 -0.01 0.00 -0.47 0.00 0.00 55.73 54.79 3iyl s ARG 550 Cb 0.04 0.21 -0.00 0.00 -0.57 0.00 0.00 34.95 34.63 3iyl s ARG 550 CO 0.61 -0.12 -0.11 0.42 -1.08 0.00 0.00 175.30 175.02 3iyl s ILE 551 N -1.20 2.96 -0.35 4.99 1.01 -1.26 -1.64 121.20 125.71 3iyl s ILE 551 Ca -0.13 -0.66 -0.07 0.00 0.00 0.00 0.00 60.65 59.79 3iyl s ILE 551 Cb -0.06 -2.29 0.04 0.00 0.01 0.00 0.00 42.46 40.15 3iyl s ILE 551 CO 0.02 0.48 0.12 -0.69 0.00 0.00 0.00 174.94 174.88 3iyl s VAL 552 N 1.05 3.94 0.44 2.92 1.01 0.96 -4.99 120.40 125.74 3iyl s VAL 552 Ca -0.00 -1.07 -0.14 0.00 0.00 0.00 0.00 61.98 60.76 3iyl s VAL 552 Cb -0.15 -3.22 -0.07 0.00 0.00 0.00 0.00 36.38 32.94 3iyl s VAL 552 CO -0.02 -0.19 0.86 -1.10 0.00 0.00 0.00 175.10 174.66 3iyl s GLN 553 N 1.43 3.89 0.00 2.72 -0.21 -1.26 -1.16 119.66 125.07 3iyl s GLN 553 Ca -0.01 0.72 0.00 0.00 0.02 0.00 0.00 55.36 56.09 3iyl s GLN 553 Cb -0.19 -2.28 0.00 0.00 1.00 0.00 0.00 33.01 31.54 3iyl s GLN 553 CO 0.04 -0.12 0.00 1.19 -2.12 0.00 0.00 175.29 174.28 3iyl n PHE 554 N -1.30 0.00 0.00 0.91 3.72 0.50 -3.89 117.46 117.40 3iyl n PHE 554 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 3iyl n PHE 554 Cb 0.54 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 3iyl n PHE 554 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iyl n GLY 555 N 0.00 -1.21 0.08 1.37 0.00 -1.26 -2.20 105.19 101.97 3iyl n GLY 555 Ca 0.00 -2.11 0.11 0.00 0.00 0.00 0.00 46.02 44.03 3iyl n GLY 555 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3iyl n TYR 556 N 0.00 0.63 -2.76 1.61 4.01 -1.26 -2.41 117.16 116.98 3iyl n TYR 556 Ca 0.00 0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.93 3iyl n TYR 556 Cb 0.00 -0.79 0.05 0.00 -0.31 0.00 0.00 39.34 38.29 3iyl n TYR 556 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3iyl n ASP 557 N -2.52 1.22 -0.21 7.72 5.75 -1.26 -4.96 116.55 122.29 3iyl n ASP 557 Ca -0.01 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 3iyl n ASP 557 Cb 0.55 -0.36 0.08 0.00 -1.03 0.00 0.00 41.12 40.36 3iyl n ASP 557 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 3iyl h VAL 558 N 5.70 0.39 0.00 2.12 3.04 -1.76 -3.41 116.25 122.32 3iyl h VAL 558 Ca -0.18 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 3iyl h VAL 558 Cb 1.37 0.36 0.00 0.00 -2.01 0.00 0.00 31.29 31.01 3iyl h VAL 558 CO 0.13 0.01 0.00 0.52 -1.01 0.00 0.00 177.57 177.22 3iyl n VAL 559 N -5.39 0.00 -0.12 1.51 0.31 -1.26 -4.57 118.33 108.81 3iyl n VAL 559 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 3iyl n VAL 559 Cb 0.34 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 3iyl n VAL 559 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3iyl n HIS 560 N -2.00 0.00 -4.32 3.52 8.25 -1.26 -5.10 115.22 114.31 3iyl n HIS 560 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.27 3iyl n HIS 560 Cb 0.00 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.02 3iyl n HIS 560 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3iyl s GLY 561 N 0.00 2.17 0.76 -1.41 0.00 -1.26 -4.83 107.32 102.76 3iyl s GLY 561 Ca 0.00 -1.82 -0.12 0.00 0.00 0.00 0.00 44.72 42.79 3iyl s GLY 561 CO 0.00 -1.54 1.10 -1.35 0.00 0.00 0.00 173.10 171.31 3iyl s SER 562 N -3.38 4.49 -0.40 1.64 1.04 -1.25 -4.77 113.70 111.07 3iyl s SER 562 Ca 0.37 1.91 -0.17 0.00 0.48 0.00 0.00 55.95 58.54 3iyl s SER 562 Cb 0.04 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.64 3iyl s SER 562 CO 0.21 -2.05 0.44 -0.76 0.98 0.00 0.00 173.24 172.07 3iyl s LEU 563 N -5.72 4.71 0.26 2.42 1.02 -1.26 -4.07 118.68 116.02 3iyl s LEU 563 Ca 0.63 -0.50 0.09 0.00 0.02 0.00 0.00 54.13 54.37 3iyl s LEU 563 Cb -0.19 -2.42 -0.04 0.00 0.02 0.00 0.00 46.19 43.56 3iyl s LEU 563 CO 0.53 -0.54 0.04 -0.76 0.02 0.00 0.00 176.35 175.64 3iyl s LEU 564 N 2.18 3.33 -0.41 1.79 1.43 -1.01 -4.91 118.68 121.08 3iyl s LEU 564 Ca 0.13 -0.54 0.04 0.00 -1.03 0.00 0.00 54.13 52.73 3iyl s LEU 564 Cb -0.17 -1.87 0.11 0.00 0.03 0.00 0.00 46.19 44.30 3iyl s LEU 564 CO 0.14 0.00 0.14 -1.81 0.23 0.00 0.00 176.35 175.05 3iyl s ASP 565 N -3.65 4.50 0.03 2.29 1.11 -1.26 -4.16 116.67 115.53 3iyl s ASP 565 Ca 0.31 -2.50 0.01 0.00 0.18 0.00 0.00 52.55 50.56 3iyl s ASP 565 Cb -0.07 -1.57 0.05 0.00 1.07 0.00 0.00 42.92 42.40 3iyl s ASP 565 CO 0.21 -0.32 0.80 0.18 1.18 0.00 0.00 175.17 177.22 3iyl n LEU 566 N 3.79 0.03 0.28 1.23 7.99 -1.26 -1.81 117.00 127.25 3iyl n LEU 566 Ca 0.04 0.28 -0.15 0.00 -0.01 0.00 0.00 56.01 56.18 3iyl n LEU 566 Cb 0.38 -0.28 -0.08 0.00 -0.11 0.00 0.00 43.42 43.33 3iyl n LEU 566 CO 0.26 -0.29 0.50 0.77 -1.51 0.00 0.00 177.39 177.13 3iyl h SER 567 N 0.00 -0.61 -1.67 -1.43 4.64 -1.86 -3.22 113.55 109.40 3iyl h SER 567 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3iyl h SER 567 Cb 0.50 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3iyl h SER 567 CO 0.00 -0.27 0.00 0.54 -0.87 0.00 0.00 176.83 176.23 3iyl n ARG 568 N -5.31 1.05 -1.97 4.77 1.74 -0.75 -4.32 116.66 111.87 3iyl n ARG 568 Ca -0.11 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.64 3iyl n ARG 568 Cb 0.33 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.78 3iyl n ARG 568 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iyl s ALA 569 N -3.29 2.72 0.01 7.54 0.00 -1.26 -4.86 121.76 122.61 3iyl s ALA 569 Ca 0.00 0.37 0.07 0.00 0.00 0.00 0.00 51.96 52.39 3iyl s ALA 569 Cb 0.00 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 3iyl s ALA 569 CO 0.00 -0.89 -0.20 0.08 0.00 0.00 0.00 175.76 174.76 3iyl s VAL 570 N -2.52 2.64 -0.44 0.00 1.01 -1.26 -4.84 120.40 114.99 3iyl s VAL 570 Ca 0.63 -1.08 0.09 0.00 0.00 0.00 0.00 61.98 61.62 3iyl s VAL 570 Cb -0.16 -2.05 0.58 0.00 0.00 0.00 0.00 36.38 34.76 3iyl s VAL 570 CO 0.39 0.45 1.42 -2.65 0.00 0.00 0.00 175.10 174.72 3iyl n PRO 571 N 1.94 3.66 -3.52 2.72 -0.02 -1.26 -4.97 135.00 133.55 3iyl n PRO 571 Ca -0.16 -2.27 -0.21 0.00 -2.02 0.00 0.00 63.50 58.84 3iyl n PRO 571 Cb 0.52 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.93 3iyl n PRO 571 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3iyl s THR 572 N -2.28 2.65 0.88 3.45 -4.23 -1.26 -5.13 115.64 109.71 3iyl s THR 572 Ca 0.39 -1.31 -0.11 0.00 -1.18 0.00 0.00 61.69 59.48 3iyl s THR 572 Cb 0.30 -2.96 0.17 0.00 1.34 0.00 0.00 72.50 71.36 3iyl s THR 572 CO 0.11 0.00 1.22 -0.83 -0.54 0.00 0.00 174.62 174.58 3iyl s GLY 573 N -4.16 1.77 0.80 3.99 0.00 -1.26 -4.99 107.32 103.47 3iyl s GLY 573 Ca 0.48 -1.37 -0.12 0.00 0.00 0.00 0.00 44.72 43.72 3iyl s GLY 573 CO 0.28 -0.67 1.14 -0.51 0.00 0.00 0.00 173.10 173.34 3iyl s THR 574 N -3.65 2.56 -0.02 0.90 -4.23 -1.24 -4.87 115.64 105.08 3iyl s THR 574 Ca 0.71 0.18 -0.12 0.00 -1.18 0.00 0.00 61.69 61.29 3iyl s THR 574 Cb -0.04 -3.08 0.02 0.00 1.34 0.00 0.00 72.50 70.73 3iyl s THR 574 CO 0.50 -0.24 0.25 -0.36 -0.54 0.00 0.00 174.62 174.24 3iyl s PHE 575 N -3.38 -0.13 0.10 3.99 0.08 0.57 -4.71 117.98 114.50 3iyl s PHE 575 Ca 0.61 0.22 -0.21 0.00 0.12 0.00 0.00 56.93 57.68 3iyl s PHE 575 Cb -0.12 0.05 -0.10 0.00 -0.57 0.00 0.00 43.02 42.28 3iyl s PHE 575 CO 0.52 -0.32 1.74 0.78 -0.10 0.00 0.00 175.22 177.84 3iyl h GLY 576 N 4.29 0.17 -6.01 4.36 0.00 -1.65 0.64 103.07 104.89 3iyl h GLY 576 Ca -0.29 -0.07 -0.67 0.00 0.00 0.00 0.00 47.33 46.30 3iyl h GLY 576 CO 0.39 0.07 -0.83 -2.27 0.00 0.00 0.00 176.54 173.90 3iyl s LEU 577 N -10.13 2.32 -0.60 3.11 0.20 -1.07 0.19 118.68 112.70 3iyl s LEU 577 Ca -0.13 -0.55 0.05 0.00 0.69 0.00 0.00 54.13 54.19 3iyl s LEU 577 Cb 0.07 -1.53 0.32 0.00 -0.43 0.00 0.00 46.19 44.62 3iyl s LEU 577 CO 0.68 0.05 0.91 0.52 -0.29 0.00 0.00 176.35 178.21 3iyl n VAL 578 N 4.32 2.94 -1.54 1.68 0.31 -0.78 -0.98 118.33 124.29 3iyl n VAL 578 Ca -0.20 -5.50 -0.46 0.00 -0.01 0.00 0.00 64.34 58.18 3iyl n VAL 578 Cb 0.51 -1.60 -0.05 0.00 -0.91 0.00 0.00 33.84 31.80 3iyl n VAL 578 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3iyl n TYR 579 N 0.06 1.80 -4.11 3.52 4.19 -1.13 -3.09 117.16 118.40 3iyl n TYR 579 Ca 0.31 0.03 -0.34 0.00 3.31 0.00 0.00 57.90 61.21 3iyl n TYR 579 Cb 0.39 -2.65 -0.11 0.00 0.49 0.00 0.00 39.34 37.46 3iyl n TYR 579 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3iyl s ALA 580 N 8.12 3.23 -0.04 2.98 0.00 -0.11 -3.38 121.76 132.56 3iyl s ALA 580 Ca 1.04 -0.82 0.05 0.00 0.00 0.00 0.00 51.96 52.23 3iyl s ALA 580 Cb -0.53 -1.81 0.08 0.00 0.00 0.00 0.00 23.12 20.86 3iyl s ALA 580 CO 0.40 0.10 0.93 -3.47 0.00 0.00 0.00 175.76 173.72 3iyl n ASP 581 N 3.72 1.13 -4.74 0.00 2.03 -1.24 -2.92 116.55 114.53 3iyl n ASP 581 Ca -0.17 -2.08 -0.35 0.00 0.52 0.00 0.00 54.79 52.72 3iyl n ASP 581 Cb 0.52 -0.17 0.07 0.00 -0.72 0.00 0.00 41.12 40.82 3iyl n ASP 581 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3iyl s LEU 582 N -1.03 3.45 0.27 -2.67 1.43 -1.26 -4.94 118.68 113.93 3iyl s LEU 582 Ca 0.09 2.33 -0.08 0.00 -1.03 0.00 0.00 54.13 55.43 3iyl s LEU 582 Cb 0.08 -4.59 -0.07 0.00 0.03 0.00 0.00 46.19 41.64 3iyl s LEU 582 CO 0.01 -1.94 0.58 -1.81 0.23 0.00 0.00 176.35 173.42 3iyl s ASP 583 N -1.94 6.56 0.17 2.29 1.01 -1.26 -4.76 116.67 118.74 3iyl s ASP 583 Ca 0.75 0.89 0.22 0.00 0.71 0.00 0.00 52.55 55.12 3iyl s ASP 583 Cb -0.29 -2.21 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 3iyl s ASP 583 CO 0.40 -0.15 0.97 0.00 0.21 0.00 0.00 175.17 176.61 3iyl n GLN 584 N -0.52 0.61 -3.90 8.23 1.13 -1.26 -5.06 117.38 116.61 3iyl n GLN 584 Ca 0.00 0.09 -0.16 0.00 -1.94 0.00 0.00 57.00 54.99 3iyl n GLN 584 Cb 0.53 -1.79 -0.06 0.00 0.11 0.00 0.00 30.24 29.03 3iyl n GLN 584 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3iyl n VAL 585 N -2.64 0.00 -2.28 5.09 0.31 -1.26 -4.92 118.33 112.64 3iyl n VAL 585 Ca -0.01 -1.99 -0.00 0.00 -0.01 0.00 0.00 64.34 62.33 3iyl n VAL 585 Cb 0.56 1.05 -0.01 0.00 -0.91 0.00 0.00 33.84 34.52 3iyl n VAL 585 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3iyl n ASP 591 N -1.80 0.23 0.00 4.52 5.75 -1.26 -5.26 116.55 118.74 3iyl n ASP 591 Ca 0.05 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 3iyl n ASP 591 Cb 0.53 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 3iyl n ASP 591 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 3iyl n MET 592 N 0.28 0.00 -0.01 0.11 1.56 -1.26 -4.72 117.12 113.08 3iyl n MET 592 Ca -0.06 0.00 -0.17 0.00 -0.27 0.00 0.00 57.70 57.21 3iyl n MET 592 Cb 0.94 -0.29 -0.10 0.00 2.15 0.00 0.00 33.22 35.92 3iyl n MET 592 CO 0.00 0.00 0.00 -1.00 -0.73 0.00 0.00 175.97 174.24 3iyl h PRO 593 N 0.00 0.43 0.00 2.12 0.13 -2.04 -0.94 132.00 131.70 3iyl h PRO 593 Ca 0.00 -0.41 -0.03 0.00 -0.87 0.00 0.00 66.00 64.69 3iyl h PRO 593 Cb 0.00 0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.23 3iyl h PRO 593 CO 0.00 1.06 -0.15 0.00 -0.23 0.00 0.00 178.00 178.68 3iyl h ALA 594 N 0.38 0.94 -0.02 -0.56 0.00 -1.99 -2.08 119.26 115.94 3iyl h ALA 594 Ca -0.06 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 3iyl h ALA 594 Cb 1.21 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3iyl h ALA 594 CO 0.11 0.19 -0.73 0.00 0.00 0.00 0.00 179.25 178.81 3iyl h ALA 595 N 1.85 0.74 -0.21 0.00 0.00 -1.83 -0.05 119.26 119.76 3iyl h ALA 595 Ca -0.00 -0.64 -0.15 0.00 0.00 0.00 0.00 54.91 54.12 3iyl h ALA 595 Cb 0.90 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3iyl h ALA 595 CO 0.02 0.86 -0.45 -0.91 0.00 0.00 0.00 179.25 178.77 3iyl h ASN 596 N 0.08 0.76 -0.73 0.00 -0.26 -0.82 -2.32 115.58 112.29 3iyl h ASN 596 Ca -0.02 -0.55 0.01 0.00 -0.56 0.00 0.00 56.30 55.17 3iyl h ASN 596 Cb 1.30 -0.22 -0.04 0.00 -1.06 0.00 0.00 38.32 38.30 3iyl h ASN 596 CO 0.11 1.17 0.48 -0.09 -1.06 0.00 0.00 177.43 178.04 3iyl h ARG 597 N 0.37 0.97 -0.11 0.81 9.65 -1.23 0.30 114.38 125.15 3iyl h ARG 597 Ca 0.00 -0.06 0.04 0.00 -1.10 0.00 0.00 59.98 58.86 3iyl h ARG 597 Cb 1.05 -0.22 -0.04 0.00 -1.39 0.00 0.00 29.97 29.38 3iyl h ARG 597 CO 0.10 0.64 -0.13 0.00 2.80 0.00 0.00 179.97 183.38 3iyl h ALA 598 N 1.27 -0.06 0.37 2.80 0.00 -0.85 0.82 119.26 123.60 3iyl h ALA 598 Ca 0.27 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3iyl h ALA 598 Cb -0.11 0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3iyl h ALA 598 CO -0.06 -0.59 -0.18 0.00 0.00 0.00 0.00 179.25 178.43 3iyl h ALA 599 N 0.88 -0.49 -0.96 0.00 0.00 -0.84 -0.03 119.26 117.82 3iyl h ALA 599 Ca 0.08 -0.17 0.20 0.00 0.00 0.00 0.00 54.91 55.02 3iyl h ALA 599 Cb 0.29 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 3iyl h ALA 599 CO -0.21 -0.65 0.61 0.82 0.00 0.00 0.00 179.25 179.82 3iyl h ILE 600 N -0.74 0.69 0.16 0.00 1.08 -0.33 -0.42 117.51 117.95 3iyl h ILE 600 Ca -0.05 -0.20 -0.01 0.00 -0.39 0.00 0.00 64.86 64.21 3iyl h ILE 600 Cb 0.51 0.06 0.00 0.00 -3.07 0.00 0.00 36.82 34.32 3iyl h ILE 600 CO 0.08 0.11 -0.08 0.00 -0.69 0.00 0.00 178.15 177.57 3iyl h ALA 601 N 1.62 -0.22 -0.37 1.87 0.00 -0.65 -2.59 119.26 118.92 3iyl h ALA 601 Ca 0.52 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 55.29 3iyl h ALA 601 Cb 1.05 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 3iyl h ALA 601 CO -0.27 -0.38 -0.13 0.52 0.00 0.00 0.00 179.25 178.99 3iyl h MET 602 N -0.71 -0.05 -0.37 0.00 2.86 -0.01 0.14 114.93 116.80 3iyl h MET 602 Ca -0.02 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3iyl h MET 602 Cb 0.50 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 3iyl h MET 602 CO 0.04 -0.03 0.22 1.25 1.06 0.00 0.00 176.91 179.44 3iyl h LEU 603 N -0.05 0.43 -1.10 1.22 6.46 -1.21 -0.37 115.31 120.69 3iyl h LEU 603 Ca 0.18 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.92 3iyl h LEU 603 Cb 0.33 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.11 3iyl h LEU 603 CO -0.41 0.34 0.49 1.23 -0.62 0.00 0.00 178.44 179.47 3iyl h GLY 604 N 0.55 1.19 1.23 3.75 0.00 -0.32 0.19 103.07 109.65 3iyl h GLY 604 Ca 0.13 -0.49 -0.16 0.00 0.00 0.00 0.00 47.33 46.81 3iyl h GLY 604 CO -0.02 0.48 -1.22 -0.91 0.00 0.00 0.00 176.54 174.86 3iyl h THR 605 N 1.13 0.62 -0.03 4.70 1.35 -0.72 -3.21 112.91 116.75 3iyl h THR 605 Ca 0.29 -2.10 -0.19 0.00 -0.55 0.00 0.00 66.41 63.86 3iyl h THR 605 Cb -0.04 2.15 -0.01 0.00 -1.73 0.00 0.00 68.15 68.51 3iyl h THR 605 CO -0.06 0.35 -0.80 0.00 -0.25 0.00 0.00 175.52 174.77 3iyl h ALA 606 N 1.41 0.59 -0.19 6.62 0.00 -0.83 -0.45 119.26 126.41 3iyl h ALA 606 Ca -0.13 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3iyl h ALA 606 Cb 1.56 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3iyl h ALA 606 CO 0.05 0.83 0.00 -0.11 0.00 0.00 0.00 179.25 180.03 3iyl n LEU 607 N -3.75 1.87 -0.02 0.00 0.00 0.66 -3.15 117.00 112.61 3iyl n LEU 607 Ca -0.04 -0.94 -0.03 0.00 0.00 0.00 0.00 56.01 55.00 3iyl n LEU 607 Cb 0.75 -0.38 -0.02 0.00 0.00 0.00 0.00 43.42 43.76 3iyl n LEU 607 CO 0.47 0.33 -0.66 1.67 0.00 0.00 0.00 177.39 179.21 3iyl n GLN 608 N 0.16 0.27 0.07 1.96 -0.06 -0.70 -4.63 117.38 114.45 3iyl n GLN 608 Ca 0.08 0.03 0.10 0.00 -2.00 0.00 0.00 57.00 55.21 3iyl n GLN 608 Cb 0.38 -1.10 0.42 0.00 -4.06 0.00 0.00 30.24 25.89 3iyl n GLN 608 CO 0.00 0.00 0.00 -1.33 -0.20 0.00 0.00 177.06 175.53 3iyl n MET 609 N -2.62 0.11 -2.53 3.69 2.81 -0.26 -4.80 117.12 113.52 3iyl n MET 609 Ca -0.09 0.31 -0.41 0.00 -1.81 0.00 0.00 57.70 55.71 3iyl n MET 609 Cb 0.59 -1.70 -0.04 0.00 -0.71 0.00 0.00 33.22 31.36 3iyl n MET 609 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3iyl s THR 610 N -3.16 3.90 0.65 2.03 -4.23 -1.23 -0.31 115.64 113.29 3iyl s THR 610 Ca 0.06 1.64 -0.18 0.00 -1.18 0.00 0.00 61.69 62.04 3iyl s THR 610 Cb 0.10 -4.05 -0.01 0.00 1.34 0.00 0.00 72.50 69.88 3iyl s THR 610 CO 0.37 0.28 1.22 0.41 -0.54 0.00 0.00 174.62 176.36 3iyl n THR 611 N 2.39 4.58 -1.62 3.99 -1.04 0.22 -4.60 114.28 118.22 3iyl n THR 611 Ca 0.03 -0.48 -0.43 0.00 -2.04 0.00 0.00 64.05 61.12 3iyl n THR 611 Cb 0.46 -1.41 -0.03 0.00 -1.82 0.00 0.00 70.33 67.53 3iyl n THR 611 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3iyl n ALA 612 N -1.98 1.64 -0.73 2.41 0.00 -1.26 0.01 120.51 120.59 3iyl n ALA 612 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3iyl n ALA 612 Cb 0.48 -2.80 0.00 0.00 0.00 0.00 0.00 19.45 17.13 3iyl n ALA 612 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iyl n GLY 613 N 5.31 1.40 0.00 0.00 0.00 -0.88 -4.88 105.19 106.13 3iyl n GLY 613 Ca 0.27 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3iyl n GLY 613 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iyl n GLY 614 N -1.02 1.90 2.54 -0.02 0.00 0.10 -4.52 105.19 104.17 3iyl n GLY 614 Ca 0.00 -2.03 -0.28 0.00 0.00 0.00 0.00 46.02 43.71 3iyl n GLY 614 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iyl s VAL 615 N 2.05 -0.05 0.06 1.61 1.01 0.50 -3.00 120.40 122.59 3iyl s VAL 615 Ca 0.00 -1.03 -0.26 0.00 0.00 0.00 0.00 61.98 60.68 3iyl s VAL 615 Cb 0.00 -1.01 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 3iyl s VAL 615 CO 0.00 -0.78 0.83 -0.94 0.00 0.00 0.00 175.10 174.20 3iyl s SER 616 N 1.79 7.30 -0.58 3.32 1.04 -1.25 -1.86 113.70 123.45 3iyl s SER 616 Ca 0.12 1.55 0.06 0.00 0.48 0.00 0.00 55.95 58.16 3iyl s SER 616 Cb -0.18 -2.50 0.24 0.00 0.10 0.00 0.00 66.02 63.68 3iyl s SER 616 CO -0.24 -0.01 0.67 0.52 0.98 0.00 0.00 173.24 175.16 3iyl n VAL 617 N 2.83 1.51 -1.24 5.02 0.31 -1.18 -0.99 118.33 124.58 3iyl n VAL 617 Ca -0.01 -4.87 -0.29 0.00 -0.01 0.00 0.00 64.34 59.16 3iyl n VAL 617 Cb 0.50 -2.06 0.15 0.00 -0.91 0.00 0.00 33.84 31.52 3iyl n VAL 617 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3iyl s LEU 618 N -2.07 1.99 -0.28 7.52 1.98 -0.95 -0.94 118.68 125.94 3iyl s LEU 618 Ca 0.38 1.31 -0.02 0.00 -2.89 0.00 0.00 54.13 52.91 3iyl s LEU 618 Cb 0.14 -3.64 0.09 0.00 0.66 0.00 0.00 46.19 43.45 3iyl s LEU 618 CO -0.05 -2.79 0.09 -0.75 -1.89 0.00 0.00 176.35 170.96 3iyl s LYS 619 N -4.99 0.60 0.34 1.98 2.20 -1.15 -1.78 119.74 116.94 3iyl s LYS 619 Ca 0.64 -0.81 -0.26 0.00 -0.36 0.00 0.00 55.97 55.19 3iyl s LYS 619 Cb -0.18 -1.85 -0.10 0.00 -1.51 0.00 0.00 37.83 34.19 3iyl s LYS 619 CO 0.57 -0.91 0.96 0.08 -0.36 0.00 0.00 175.35 175.69 3iyl s VAL 620 N 1.77 4.15 -0.13 4.02 1.01 -0.30 -4.78 120.40 126.14 3iyl s VAL 620 Ca 0.07 1.74 -0.01 0.00 0.00 0.00 0.00 61.98 63.78 3iyl s VAL 620 Cb -0.17 -3.95 -0.24 0.00 0.00 0.00 0.00 36.38 32.02 3iyl s VAL 620 CO -0.23 0.11 0.30 0.59 0.00 0.00 0.00 175.10 175.87 3iyl n ASN 621 N 0.44 1.83 -3.57 3.32 4.13 -1.26 -1.39 115.26 118.77 3iyl n ASN 621 Ca 0.02 0.18 -0.28 0.00 1.68 0.00 0.00 54.58 56.18 3iyl n ASN 621 Cb 0.50 -0.60 -0.11 0.00 -1.54 0.00 0.00 39.78 38.03 3iyl n ASN 621 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3iyl s PHE 622 N -2.56 1.80 -0.18 3.10 0.08 -1.26 -3.05 117.98 115.91 3iyl s PHE 622 Ca -0.21 -2.54 -0.27 0.00 0.12 0.00 0.00 56.93 54.02 3iyl s PHE 622 Cb 0.07 -1.49 -0.31 0.00 -0.57 0.00 0.00 43.02 40.72 3iyl s PHE 622 CO 0.75 -0.75 1.64 -0.35 -0.10 0.00 0.00 175.22 176.42 3iyl n PRO 623 N 2.80 0.36 -2.64 0.24 -0.04 -1.26 -4.88 135.00 129.59 3iyl n PRO 623 Ca 0.23 -1.17 -0.34 0.00 -0.04 0.00 0.00 63.50 62.19 3iyl n PRO 623 Cb 0.42 -2.57 -0.05 0.00 -0.04 0.00 0.00 33.50 31.26 3iyl n PRO 623 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3iyl s THR 624 N 6.42 4.05 -1.28 0.52 -4.23 -1.26 -4.75 115.64 115.10 3iyl s THR 624 Ca 0.63 1.26 0.00 0.00 -1.18 0.00 0.00 61.69 62.40 3iyl s THR 624 Cb 0.14 -3.52 0.00 0.00 1.34 0.00 0.00 72.50 70.47 3iyl s THR 624 CO 0.28 -0.29 0.40 -2.11 -0.54 0.00 0.00 174.62 172.35 3iyl n ARG 625 N -0.88 0.62 -0.08 3.99 1.85 -1.26 -0.49 116.66 120.40 3iyl n ARG 625 Ca 0.08 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.85 3iyl n ARG 625 Cb 0.53 -1.22 -0.11 0.00 -1.05 0.00 0.00 32.46 30.61 3iyl n ARG 625 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3iyl n ALA 626 N -0.01 1.62 0.01 2.89 0.00 -1.26 -4.41 120.51 119.36 3iyl n ALA 626 Ca 0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 53.44 52.46 3iyl n ALA 626 Cb 0.11 -0.04 -0.10 0.00 0.00 0.00 0.00 19.45 19.42 3iyl n ALA 626 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3iyl n PHE 627 N -2.66 0.94 1.08 0.00 -0.00 0.35 -3.96 117.46 113.19 3iyl n PHE 627 Ca -0.26 0.32 0.09 0.00 -0.00 0.00 0.00 57.45 57.60 3iyl n PHE 627 Cb 0.96 -1.10 0.53 0.00 -0.00 0.00 0.00 39.48 39.87 3iyl n PHE 627 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.76 177.67 3iyl n TRP 628 N -2.92 0.00 -0.11 -5.13 7.02 -0.23 -0.97 117.44 115.10 3iyl n TRP 628 Ca -0.13 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.19 3iyl n TRP 628 Cb 0.91 -0.11 -0.10 0.00 -2.42 0.00 0.00 31.31 29.58 3iyl n TRP 628 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 3iyl n THR 629 N -1.11 1.28 -0.18 -0.99 -2.24 -1.26 -3.82 114.28 105.96 3iyl n THR 629 Ca 0.12 -0.47 -0.08 0.00 -2.27 0.00 0.00 64.05 61.35 3iyl n THR 629 Cb 0.10 -1.35 0.07 0.00 -2.10 0.00 0.00 70.33 67.04 3iyl n THR 629 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3iyl h GLN 630 N -0.10 0.99 -0.07 -0.78 1.08 -1.60 -2.17 115.11 112.46 3iyl h GLN 630 Ca -0.51 -0.30 -0.03 0.00 -1.45 0.00 0.00 58.65 56.35 3iyl h GLN 630 Cb 1.75 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 29.08 3iyl h GLN 630 CO -0.11 0.97 -0.08 -0.24 -0.95 0.00 0.00 178.83 178.42 3iyl h VAL 631 N 0.90 1.38 0.00 -0.54 3.04 -1.27 -0.80 116.25 118.96 3iyl h VAL 631 Ca 0.16 -1.28 0.00 0.00 -1.01 0.00 0.00 66.70 64.58 3iyl h VAL 631 Cb 0.54 2.08 0.00 0.00 -2.01 0.00 0.00 31.29 31.90 3iyl h VAL 631 CO 0.03 0.35 0.00 0.49 -1.01 0.00 0.00 177.57 177.43 3iyl n PHE 632 N -4.69 0.00 -0.07 3.17 3.72 -1.21 -2.18 117.46 116.20 3iyl n PHE 632 Ca -0.07 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.20 3iyl n PHE 632 Cb 0.32 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.82 3iyl n PHE 632 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3iyl n ASN 633 N -0.86 1.51 0.26 4.37 2.85 -0.82 -4.04 115.26 118.53 3iyl n ASN 633 Ca 0.13 0.25 -0.15 0.00 -0.11 0.00 0.00 54.58 54.70 3iyl n ASN 633 Cb 0.06 -0.58 -0.08 0.00 1.24 0.00 0.00 39.78 40.42 3iyl n ASN 633 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 3iyl h LEU 634 N -0.67 -0.57 -3.60 1.20 3.38 -1.19 -3.24 115.31 110.63 3iyl h LEU 634 Ca -0.21 -0.06 -0.31 0.00 0.09 0.00 0.00 57.88 57.39 3iyl h LEU 634 Cb 0.99 0.15 -0.19 0.00 0.09 0.00 0.00 40.66 41.70 3iyl h LEU 634 CO -0.13 -0.25 0.40 -1.22 0.09 0.00 0.00 178.44 177.33 3iyl n TYR 635 N -5.30 2.43 0.11 1.13 4.02 -0.93 -4.48 117.16 114.14 3iyl n TYR 635 Ca -0.11 -1.35 0.07 0.00 -0.01 0.00 0.00 57.90 56.49 3iyl n TYR 635 Cb 0.31 -0.74 0.36 0.00 -0.02 0.00 0.00 39.34 39.25 3iyl n TYR 635 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3iyl n ALA 636 N -0.47 0.94 -0.03 -0.72 0.00 -1.22 -3.19 120.51 115.82 3iyl n ALA 636 Ca 0.44 0.12 -0.07 0.00 0.00 0.00 0.00 53.44 53.93 3iyl n ALA 636 Cb 1.39 -1.10 -0.02 0.00 0.00 0.00 0.00 19.45 19.72 3iyl n ALA 636 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3iyl n THR 637 N -1.96 1.16 0.00 0.00 -2.24 -1.26 -1.46 114.28 108.52 3iyl n THR 637 Ca -0.01 0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 3iyl n THR 637 Cb 0.08 -1.86 0.00 0.00 -2.10 0.00 0.00 70.33 66.45 3iyl n THR 637 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3iyl n HIS 638 N -3.83 0.00 -4.45 4.78 -0.00 -1.19 -1.21 115.22 109.32 3iyl n HIS 638 Ca -0.12 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.39 3iyl n HIS 638 Cb 0.37 -0.38 -0.11 0.00 -0.00 0.00 0.00 29.99 29.87 3iyl n HIS 638 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3iyl s ALA 639 N -3.67 2.36 -0.19 -1.41 0.00 -1.25 -1.70 121.76 115.90 3iyl s ALA 639 Ca 0.00 -2.04 -0.17 0.00 0.00 0.00 0.00 51.96 49.75 3iyl s ALA 639 Cb 0.00 0.59 -0.12 0.00 0.00 0.00 0.00 23.12 23.58 3iyl s ALA 639 CO 0.00 -0.28 -0.00 2.41 0.00 0.00 0.00 175.76 177.89 3iyl n THR 640 N -0.67 1.49 -3.70 0.00 -1.04 -0.66 -3.95 114.28 105.75 3iyl n THR 640 Ca -0.03 0.02 -0.25 0.00 -2.04 0.00 0.00 64.05 61.76 3iyl n THR 640 Cb 0.66 -2.16 0.01 0.00 -1.82 0.00 0.00 70.33 67.02 3iyl n THR 640 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3iyl s THR 641 N -2.37 1.77 -0.30 12.58 -4.23 -1.26 -4.73 115.64 117.10 3iyl s THR 641 Ca -0.25 -1.38 -0.16 0.00 -1.18 0.00 0.00 61.69 58.71 3iyl s THR 641 Cb 0.05 -2.15 0.17 0.00 1.34 0.00 0.00 72.50 71.91 3iyl s THR 641 CO 0.45 0.00 1.05 -0.22 -0.54 0.00 0.00 174.62 175.36 3iyl s LEU 642 N -4.36 -0.45 -0.00 4.79 0.20 -1.25 -0.85 118.68 116.76 3iyl s LEU 642 Ca 0.40 0.64 0.03 0.00 0.69 0.00 0.00 54.13 55.89 3iyl s LEU 642 Cb -0.03 1.54 -0.01 0.00 -0.43 0.00 0.00 46.19 47.26 3iyl s LEU 642 CO 0.25 -0.09 -0.10 -1.00 -0.29 0.00 0.00 176.35 175.12 3iyl s HIS 643 N 2.15 0.92 -0.10 5.38 3.76 -1.13 -0.01 115.29 126.25 3iyl s HIS 643 Ca -0.03 -0.20 -0.20 0.00 -0.15 0.00 0.00 55.06 54.48 3iyl s HIS 643 Cb -0.05 -0.58 -0.04 0.00 1.11 0.00 0.00 32.58 33.02 3iyl s HIS 643 CO -0.16 -0.01 0.54 -0.51 -0.85 0.00 0.00 174.74 173.74 3iyl s LEU 644 N -0.37 4.29 -0.60 0.89 1.43 0.55 -2.46 118.68 122.42 3iyl s LEU 644 Ca 0.03 0.92 0.06 0.00 -1.03 0.00 0.00 54.13 54.11 3iyl s LEU 644 Cb -0.04 -2.80 0.22 0.00 0.03 0.00 0.00 46.19 43.60 3iyl s LEU 644 CO -0.00 -0.03 0.61 0.52 0.23 0.00 0.00 176.35 177.68 3iyl n VAL 645 N 3.67 1.38 -2.32 -1.59 0.31 0.69 -1.28 118.33 119.19 3iyl n VAL 645 Ca -0.06 -4.78 -0.40 0.00 -0.01 0.00 0.00 64.34 59.09 3iyl n VAL 645 Cb 0.52 -2.06 -0.03 0.00 -0.91 0.00 0.00 33.84 31.35 3iyl n VAL 645 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3iyl s LYS 646 N -1.80 2.97 -0.85 5.55 2.47 -1.21 -3.77 119.74 123.10 3iyl s LYS 646 Ca 0.35 0.20 -0.19 0.00 -1.56 0.00 0.00 55.97 54.76 3iyl s LYS 646 Cb 0.09 -4.26 0.13 0.00 -1.46 0.00 0.00 37.83 32.33 3iyl s LYS 646 CO -0.08 -2.37 1.03 -2.14 0.16 0.00 0.00 175.35 171.95 3iyl s PRO 647 N 6.25 3.48 -0.88 4.03 0.02 -1.26 -2.42 135.00 144.23 3iyl s PRO 647 Ca 0.50 -1.67 -0.25 0.00 0.02 0.00 0.00 61.00 59.61 3iyl s PRO 647 Cb -0.10 -4.71 -0.02 0.00 0.02 0.00 0.00 34.50 29.68 3iyl s PRO 647 CO 0.19 -1.71 1.81 0.95 -0.33 0.00 0.00 177.00 177.91 3iyl s THR 648 N 2.60 3.54 -0.09 0.99 -4.23 -1.26 -4.73 115.64 112.47 3iyl s THR 648 Ca 0.28 -0.34 -0.15 0.00 -1.18 0.00 0.00 61.69 60.30 3iyl s THR 648 Cb -0.09 -4.23 -0.28 0.00 1.34 0.00 0.00 72.50 69.24 3iyl s THR 648 CO -0.05 -1.17 0.59 0.40 -0.54 0.00 0.00 174.62 173.85 3iyl h ILE 649 N 7.08 1.02 -4.14 2.99 1.08 -1.94 -2.97 117.51 120.63 3iyl h ILE 649 Ca 0.06 -2.43 -0.44 0.00 -0.39 0.00 0.00 64.86 61.65 3iyl h ILE 649 Cb 1.03 2.74 -0.14 0.00 -3.07 0.00 0.00 36.82 37.38 3iyl h ILE 649 CO 1.26 0.74 -0.53 -0.69 -0.69 0.00 0.00 178.15 178.24 3iyl s VAL 650 N -2.50 0.22 -0.72 1.67 1.01 -1.26 -4.96 120.40 113.86 3iyl s VAL 650 Ca -0.19 -2.00 -0.26 0.00 0.00 0.00 0.00 61.98 59.53 3iyl s VAL 650 Cb 0.04 -2.48 0.04 0.00 0.00 0.00 0.00 36.38 33.98 3iyl s VAL 650 CO 0.79 0.00 1.23 0.21 0.00 0.00 0.00 175.10 177.33 3iyl s ASN 651 N -3.39 6.18 0.15 3.32 3.04 -1.26 -4.94 114.94 118.03 3iyl s ASN 651 Ca 0.36 -0.48 -0.14 0.00 0.04 0.00 0.00 52.86 52.64 3iyl s ASN 651 Cb 0.04 -2.54 0.02 0.00 -1.54 0.00 0.00 41.25 37.23 3iyl s ASN 651 CO 0.20 -1.76 0.39 -0.94 -3.04 0.00 0.00 177.10 171.96 3iyl s SER 652 N 3.67 -0.16 -0.05 -4.21 1.04 -1.26 -4.89 113.70 107.84 3iyl s SER 652 Ca 0.34 -0.50 0.16 0.00 0.48 0.00 0.00 55.95 56.44 3iyl s SER 652 Cb -0.09 0.48 0.52 0.00 0.10 0.00 0.00 66.02 67.04 3iyl s SER 652 CO 0.15 -0.90 1.44 -1.54 0.98 0.00 0.00 173.24 173.37 3iyl n SER 653 N -0.24 3.78 -4.65 7.02 3.41 -1.26 -4.96 113.62 116.72 3iyl n SER 653 Ca -0.13 -2.24 -0.43 0.00 -0.26 0.00 0.00 58.87 55.81 3iyl n SER 653 Cb 0.63 -0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 64.13 3iyl n SER 653 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3iyl s GLU 654 N -1.45 4.04 0.18 4.33 -1.05 -1.17 -4.51 118.70 119.07 3iyl s GLU 654 Ca 0.39 1.80 0.07 0.00 -0.15 0.00 0.00 54.97 57.08 3iyl s GLU 654 Cb 0.23 -3.94 -0.04 0.00 -0.44 0.00 0.00 34.13 29.95 3iyl s GLU 654 CO 0.21 -0.98 0.00 0.14 0.95 0.00 0.00 175.26 175.58 3iyl s VAL 655 N 4.32 3.72 -0.12 1.83 -7.23 -0.48 -4.73 120.40 117.71 3iyl s VAL 655 Ca 0.66 -1.44 -0.05 0.00 -1.81 0.00 0.00 61.98 59.34 3iyl s VAL 655 Cb -0.26 -2.88 -0.04 0.00 0.56 0.00 0.00 36.38 33.76 3iyl s VAL 655 CO 0.25 -0.12 0.08 -0.36 -0.31 0.00 0.00 175.10 174.63 3iyl s PHE 656 N -1.76 3.38 -0.06 2.82 0.08 -1.25 -1.15 117.98 120.05 3iyl s PHE 656 Ca 0.28 0.33 0.05 0.00 0.12 0.00 0.00 56.93 57.71 3iyl s PHE 656 Cb -0.09 -1.91 -0.00 0.00 -0.57 0.00 0.00 43.02 40.44 3iyl s PHE 656 CO 0.19 0.54 -0.21 -0.51 -0.10 0.00 0.00 175.22 175.13 3iyl s LEU 657 N -0.73 1.98 -0.05 -0.37 1.02 -0.73 -0.22 118.68 119.59 3iyl s LEU 657 Ca 0.12 -0.44 0.06 0.00 0.02 0.00 0.00 54.13 53.89 3iyl s LEU 657 Cb -0.12 -1.19 -0.02 0.00 0.02 0.00 0.00 46.19 44.89 3iyl s LEU 657 CO 0.03 0.18 -0.23 0.68 0.02 0.00 0.00 176.35 177.02 3iyl s VAL 658 N 0.07 2.25 -0.15 -1.59 -7.23 -1.03 -2.24 120.40 110.48 3iyl s VAL 658 Ca -0.07 -1.01 -0.06 0.00 -1.81 0.00 0.00 61.98 59.02 3iyl s VAL 658 Cb -0.14 -1.82 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 3iyl s VAL 658 CO 0.04 0.58 0.05 -0.36 -0.31 0.00 0.00 175.10 175.10 3iyl s PHE 659 N -0.39 3.26 0.00 2.82 0.08 -0.16 -2.84 117.98 120.74 3iyl s PHE 659 Ca 0.03 0.12 0.00 0.00 0.12 0.00 0.00 56.93 57.21 3iyl s PHE 659 Cb -0.12 -2.00 0.00 0.00 -0.57 0.00 0.00 43.02 40.33 3iyl s PHE 659 CO 0.02 0.27 0.00 0.41 -0.10 0.00 0.00 175.22 175.82 3iyl n GLY 660 N 3.08 -1.93 3.53 4.36 0.00 -0.03 -3.85 105.19 110.35 3iyl n GLY 660 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 3iyl n GLY 660 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iyl s GLY 661 N 0.00 1.92 -0.36 -0.02 0.00 -1.26 -4.23 107.32 103.37 3iyl s GLY 661 Ca 0.00 -1.33 -0.02 0.00 0.00 0.00 0.00 44.72 43.37 3iyl s GLY 661 CO 0.00 0.96 1.44 -2.13 0.00 0.00 0.00 173.10 173.37 3iyl n ARG 662 N 5.33 0.83 -4.03 2.90 3.00 -1.16 -1.65 116.66 121.88 3iyl n ARG 662 Ca -0.10 -0.87 -0.36 0.00 -0.00 0.00 0.00 57.85 56.52 3iyl n ARG 662 Cb 0.49 -2.17 -0.07 0.00 0.00 0.00 0.00 32.46 30.71 3iyl n ARG 662 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 3iyl s GLN 663 N 4.30 3.32 0.37 -0.14 -2.07 -0.69 -2.08 119.66 122.67 3iyl s GLN 663 Ca 0.16 -0.22 0.11 0.00 -1.82 0.00 0.00 55.36 53.59 3iyl s GLN 663 Cb 0.04 -3.07 0.89 0.00 -1.09 0.00 0.00 33.01 29.78 3iyl s GLN 663 CO -0.01 0.74 1.87 0.66 -1.32 0.00 0.00 175.29 177.23 3iyl h SER 664 N 5.08 0.58 -1.96 12.60 4.64 -1.85 -3.23 113.55 129.42 3iyl h SER 664 Ca -0.53 0.04 -0.74 0.00 -0.47 0.00 0.00 61.79 60.08 3iyl h SER 664 Cb 1.22 -0.08 -0.30 0.00 -0.31 0.00 0.00 62.40 62.94 3iyl h SER 664 CO 0.57 0.29 0.77 0.59 -0.87 0.00 0.00 176.83 178.18 3iyl n ASN 665 N -4.55 7.05 -4.02 4.97 4.13 -1.26 -3.96 115.26 117.61 3iyl n ASN 665 Ca 0.17 -3.81 -0.22 0.00 1.68 0.00 0.00 54.58 52.40 3iyl n ASN 665 Cb 0.51 -0.98 0.13 0.00 -1.54 0.00 0.00 39.78 37.90 3iyl n ASN 665 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3iyl n GLY 666 N -0.48 -0.14 2.51 7.41 0.00 -0.35 -5.03 105.19 109.11 3iyl n GLY 666 Ca 0.51 -1.90 -0.17 0.00 0.00 0.00 0.00 46.02 44.45 3iyl n GLY 666 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iyl n ALA 667 N -3.23 0.78 -2.79 4.61 0.00 -1.21 -4.08 120.51 114.59 3iyl n ALA 667 Ca -0.16 -2.31 -0.43 0.00 0.00 0.00 0.00 53.44 50.54 3iyl n ALA 667 Cb 0.51 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.88 3iyl n ALA 667 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3iyl s LEU 668 N -0.05 4.48 0.24 0.00 1.43 -0.54 -4.99 118.68 119.24 3iyl s LEU 668 Ca 0.32 -2.21 -0.19 0.00 -1.03 0.00 0.00 54.13 51.02 3iyl s LEU 668 Cb 0.08 -2.47 -0.08 0.00 0.03 0.00 0.00 46.19 43.75 3iyl s LEU 668 CO -0.15 -1.11 0.73 -0.60 0.23 0.00 0.00 176.35 175.46 3iyl s ARG 669 N 3.22 4.23 -0.05 1.70 3.52 -1.26 -4.78 118.95 125.53 3iyl s ARG 669 Ca 0.42 0.86 -0.30 0.00 -0.13 0.00 0.00 55.73 56.58 3iyl s ARG 669 Cb -0.02 -2.83 -0.05 0.00 -1.56 0.00 0.00 34.95 30.50 3iyl s ARG 669 CO -0.04 0.36 1.45 -1.54 -0.81 0.00 0.00 175.30 174.72 3iyl s SER 670 N -1.72 6.81 0.47 -2.12 1.04 -1.26 -4.78 113.70 112.14 3iyl s SER 670 Ca 0.44 2.07 0.07 0.00 0.48 0.00 0.00 55.95 59.01 3iyl s SER 670 Cb -0.16 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.41 3iyl s SER 670 CO 0.21 -0.79 0.37 0.42 0.98 0.00 0.00 173.24 174.43 3iyl s THR 671 N 3.11 2.18 0.42 2.02 -4.23 -1.26 -0.54 115.64 117.35 3iyl s THR 671 Ca 0.65 -1.45 0.38 0.00 -1.18 0.00 0.00 61.69 60.09 3iyl s THR 671 Cb -0.30 -2.63 0.40 0.00 1.34 0.00 0.00 72.50 71.31 3iyl s THR 671 CO 0.25 0.00 2.18 0.74 -0.54 0.00 0.00 174.62 177.25 3iyl h THR 672 N 0.95 0.09 0.33 3.99 2.02 -1.66 -2.20 112.91 116.42 3iyl h THR 672 Ca -0.39 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.51 3iyl h THR 672 Cb 1.28 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 3iyl h THR 672 CO 0.59 0.02 -0.28 0.00 0.37 0.00 0.00 175.52 176.21 3iyl h ALA 673 N 1.98 -0.62 -0.47 6.16 0.00 -1.85 -1.41 119.26 123.06 3iyl h ALA 673 Ca -0.00 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.90 3iyl h ALA 673 Cb 0.24 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 3iyl h ALA 673 CO 0.00 -0.88 -0.17 1.25 0.00 0.00 0.00 179.25 179.45 3iyl h LEU 674 N -0.62 -0.61 -1.02 0.00 5.85 -1.68 0.50 115.31 117.72 3iyl h LEU 674 Ca -0.02 0.16 0.13 0.00 0.84 0.00 0.00 57.88 58.99 3iyl h LEU 674 Cb 0.55 0.36 -0.09 0.00 0.37 0.00 0.00 40.66 41.85 3iyl h LEU 674 CO -0.03 -0.21 0.63 -0.61 -0.34 0.00 0.00 178.44 177.88 3iyl h GLN 675 N -0.07 0.91 -0.02 1.25 5.75 -1.43 0.34 115.11 121.85 3iyl h GLN 675 Ca 0.23 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.64 3iyl h GLN 675 Cb 0.42 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 28.76 3iyl h GLN 675 CO -0.52 0.60 -0.10 -0.09 -2.65 0.00 0.00 178.83 176.08 3iyl h ARG 676 N 0.94 0.10 0.44 1.69 2.43 0.18 -1.72 114.38 118.44 3iyl h ARG 676 Ca 0.51 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.59 3iyl h ARG 676 Cb 0.58 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 3iyl h ARG 676 CO -0.28 0.75 -0.44 0.00 -1.51 0.00 0.00 179.97 178.48 3iyl h ALA 677 N 0.35 -0.98 -0.51 2.80 0.00 0.44 0.13 119.26 121.48 3iyl h ALA 677 Ca -0.01 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.83 3iyl h ALA 677 Cb 0.77 0.64 -0.07 0.00 0.00 0.00 0.00 17.79 19.13 3iyl h ALA 677 CO 0.02 -1.09 0.11 1.25 0.00 0.00 0.00 179.25 179.54 3iyl h LEU 678 N -0.90 0.02 -1.09 0.00 5.85 -0.44 -1.83 115.31 116.92 3iyl h LEU 678 Ca -0.04 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 3iyl h LEU 678 Cb 0.79 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 3iyl h LEU 678 CO -0.06 0.04 0.39 0.25 -0.34 0.00 0.00 178.44 178.71 3iyl h LEU 679 N 0.25 0.92 -0.52 2.25 6.46 -0.97 -2.50 115.31 121.19 3iyl h LEU 679 Ca 0.26 -0.08 -0.10 0.00 -0.12 0.00 0.00 57.88 57.84 3iyl h LEU 679 Cb 0.34 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 3iyl h LEU 679 CO -0.33 0.75 -0.06 0.28 -0.62 0.00 0.00 178.44 178.46 3iyl h SER 680 N 1.03 0.96 0.10 1.25 0.02 -0.07 -1.67 113.55 115.16 3iyl h SER 680 Ca 0.26 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3iyl h SER 680 Cb 0.05 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 3iyl h SER 680 CO -0.04 1.06 -0.27 0.25 -1.14 0.00 0.00 176.83 176.69 3iyl h LEU 681 N 0.83 -0.81 -0.33 5.07 6.46 -0.92 -2.40 115.31 123.21 3iyl h LEU 681 Ca 0.14 0.08 0.05 0.00 -0.12 0.00 0.00 57.88 58.03 3iyl h LEU 681 Cb 0.61 0.30 -0.05 0.00 -0.73 0.00 0.00 40.66 40.79 3iyl h LEU 681 CO 0.04 -0.30 0.05 1.88 -0.62 0.00 0.00 178.44 179.49 3iyl h TYR 682 N -0.42 0.08 -0.50 1.25 0.05 -1.53 -0.89 116.97 115.02 3iyl h TYR 682 Ca -0.01 0.02 0.15 0.00 0.05 0.00 0.00 58.73 58.94 3iyl h TYR 682 Cb 0.41 0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.14 3iyl h TYR 682 CO -0.34 0.00 0.78 0.00 -1.05 0.00 0.00 178.16 177.55 3iyl h ALA 683 N 1.25 2.27 0.02 3.88 0.00 -1.06 0.46 119.26 126.09 3iyl h ALA 683 Ca 0.16 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.73 3iyl h ALA 683 Cb 0.18 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 3iyl h ALA 683 CO -0.22 -1.04 -1.87 -2.13 0.00 0.00 0.00 179.25 173.99 3iyl n ARG 684 N -3.22 0.66 0.24 0.00 0.63 -0.36 -3.61 116.66 111.00 3iyl n ARG 684 Ca 0.10 0.25 0.12 0.00 -0.92 0.00 0.00 57.85 57.40 3iyl n ARG 684 Cb 0.96 -1.74 0.57 0.00 0.45 0.00 0.00 32.46 32.70 3iyl n ARG 684 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 3iyl h ASN 685 N 0.01 0.00 0.12 6.15 4.21 0.17 1.14 115.58 127.37 3iyl h ASN 685 Ca -0.35 0.00 -0.24 0.00 1.21 0.00 0.00 56.30 56.91 3iyl h ASN 685 Cb 2.04 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 39.26 3iyl h ASN 685 CO 0.07 0.17 -0.96 0.00 -1.29 0.00 0.00 177.43 175.42 3iyl h ALA 686 N 1.83 0.26 -0.14 -0.83 0.00 -1.59 0.61 119.26 119.39 3iyl h ALA 686 Ca -0.00 -0.69 -0.06 0.00 0.00 0.00 0.00 54.91 54.16 3iyl h ALA 686 Cb 0.60 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3iyl h ALA 686 CO 0.02 0.74 -0.15 0.00 0.00 0.00 0.00 179.25 179.85 3iyl h ALA 687 N 0.57 0.21 -0.16 0.00 0.00 -1.32 0.31 119.26 118.87 3iyl h ALA 687 Ca -0.10 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.34 3iyl h ALA 687 Cb 1.60 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 3iyl h ALA 687 CO 0.18 0.10 -0.51 0.82 0.00 0.00 0.00 179.25 179.84 3iyl h ILE 688 N -0.02 1.33 0.37 0.00 2.04 0.12 -2.05 117.51 119.30 3iyl h ILE 688 Ca 0.02 -1.76 -0.02 0.00 1.00 0.00 0.00 64.86 64.11 3iyl h ILE 688 Cb 0.69 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 3iyl h ILE 688 CO 0.04 0.54 -0.18 -0.78 0.00 0.00 0.00 178.15 177.77 3iyl h ASP 689 N 0.34 -0.42 -1.18 1.72 1.82 -0.87 -1.89 116.42 115.94 3iyl h ASP 689 Ca 0.01 -0.08 0.34 0.00 -0.39 0.00 0.00 57.03 56.91 3iyl h ASP 689 Cb 1.02 0.11 -0.09 0.00 0.68 0.00 0.00 39.33 41.04 3iyl h ASP 689 CO 0.09 0.03 0.79 0.08 -1.61 0.00 0.00 179.24 178.62 3iyl h ARG 690 N -1.06 0.21 0.05 0.28 0.11 -0.99 0.14 114.38 113.12 3iyl h ARG 690 Ca -0.05 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 60.01 3iyl h ARG 690 Cb 0.47 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.50 3iyl h ARG 690 CO 0.08 0.14 -0.02 0.00 0.10 0.00 0.00 179.97 180.26 3iyl h ALA 691 N 1.55 -0.07 0.00 0.08 0.00 -1.30 -3.19 119.26 116.33 3iyl h ALA 691 Ca 0.66 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3iyl h ALA 691 Cb 2.04 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.85 3iyl h ALA 691 CO -0.26 -0.33 0.00 0.28 0.00 0.00 0.00 179.25 178.95 3iyl h VAL 692 N -0.49 0.00 -0.67 0.00 2.07 0.10 -2.95 116.25 114.31 3iyl h VAL 692 Ca -0.01 -0.20 0.14 0.00 0.82 0.00 0.00 66.70 67.46 3iyl h VAL 692 Cb 0.44 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 3iyl h VAL 692 CO 0.01 0.00 0.46 0.74 0.02 0.00 0.00 177.57 178.80 3iyl h THR 693 N 0.00 0.79 0.00 2.57 2.02 -1.32 0.05 112.91 117.02 3iyl h THR 693 Ca 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3iyl h THR 693 Cb 0.23 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3iyl h THR 693 CO 0.00 0.05 0.00 1.41 0.37 0.00 0.00 175.52 177.35 3iyl n HIS 694 N -4.45 0.00 -4.71 3.16 8.25 -1.12 -4.75 115.22 111.60 3iyl n HIS 694 Ca 0.12 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.25 3iyl n HIS 694 Cb 0.53 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.51 3iyl n HIS 694 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3iyl s ILE 695 N -2.00 3.41 0.63 1.59 1.01 0.00 -1.62 121.20 124.22 3iyl s ILE 695 Ca 0.18 -0.58 -0.16 0.00 0.00 0.00 0.00 60.65 60.09 3iyl s ILE 695 Cb 0.08 -2.39 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 3iyl s ILE 695 CO 0.14 0.57 1.12 -2.84 0.00 0.00 0.00 174.94 173.93 3iyl s PRO 696 N -0.47 2.95 0.21 2.79 0.02 -1.26 -4.97 135.00 134.27 3iyl s PRO 696 Ca 0.06 1.47 -0.30 0.00 0.02 0.00 0.00 61.00 62.25 3iyl s PRO 696 Cb -0.12 -1.96 -0.08 0.00 0.02 0.00 0.00 34.50 32.36 3iyl s PRO 696 CO 0.02 -1.15 0.96 -0.06 -0.33 0.00 0.00 177.00 176.44 3iyl s PHE 697 N -2.15 3.91 0.71 6.54 0.08 -1.26 -4.99 117.98 120.82 3iyl s PHE 697 Ca 0.69 1.87 -0.17 0.00 0.12 0.00 0.00 56.93 59.44 3iyl s PHE 697 Cb -0.22 -3.02 -0.08 0.00 -0.57 0.00 0.00 43.02 39.13 3iyl s PHE 697 CO 0.37 0.31 0.21 1.19 -0.10 0.00 0.00 175.22 177.20 3iyl n PHE 698 N 1.85 -1.85 -1.95 0.36 3.01 -1.26 -3.02 117.46 114.59 3iyl n PHE 698 Ca -0.01 0.32 -0.16 0.00 1.01 0.00 0.00 57.45 58.61 3iyl n PHE 698 Cb 0.47 -1.80 -0.04 0.00 -0.01 0.00 0.00 39.48 38.10 3iyl n PHE 698 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3iyl n GLY 699 N 2.08 0.54 3.42 1.37 0.00 -1.26 -4.98 105.19 106.36 3iyl n GLY 699 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 3iyl n GLY 699 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iyl s VAL 700 N -2.61 3.66 0.30 1.61 0.11 -1.17 -5.08 120.40 117.23 3iyl s VAL 700 Ca 0.00 -0.42 -0.28 0.00 -2.93 0.00 0.00 61.98 58.35 3iyl s VAL 700 Cb 0.00 -2.63 -0.14 0.00 -1.53 0.00 0.00 36.38 32.09 3iyl s VAL 700 CO 0.00 0.46 1.13 -0.81 -3.33 0.00 0.00 175.10 172.55 3iyl n PRO 701 N 4.07 1.62 -2.04 1.54 -0.04 -1.26 -4.75 135.00 134.15 3iyl n PRO 701 Ca -0.18 0.57 -0.42 0.00 -0.04 0.00 0.00 63.50 63.43 3iyl n PRO 701 Cb 0.52 -2.03 -0.03 0.00 -0.04 0.00 0.00 33.50 31.92 3iyl n PRO 701 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3iyl s ASP 702 N -0.40 6.69 0.00 3.54 2.15 -0.87 -4.89 116.67 122.90 3iyl s ASP 702 Ca 0.59 2.35 0.00 0.00 0.43 0.00 0.00 52.55 55.92 3iyl s ASP 702 Cb -0.67 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.39 3iyl s ASP 702 CO 0.60 -0.82 0.00 -0.67 -0.17 0.00 0.00 175.17 174.10 3iyl n ASP 703 N 5.44 1.45 0.01 -0.34 2.03 -1.26 -2.61 116.55 121.25 3iyl n ASP 703 Ca 0.15 -0.36 0.11 0.00 0.52 0.00 0.00 54.79 55.21 3iyl n ASP 703 Cb 0.42 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.76 3iyl n ASP 703 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3iyl n GLY 704 N 5.00 -1.09 0.31 0.27 0.00 -1.26 -4.44 105.19 103.99 3iyl n GLY 704 Ca 0.00 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.36 3iyl n GLY 704 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3iyl h THR 705 N 0.00 0.42 -1.75 2.61 2.02 -1.99 -3.44 112.91 110.78 3iyl h THR 705 Ca 0.00 -0.21 -0.67 0.00 0.77 0.00 0.00 66.41 66.30 3iyl h THR 705 Cb 0.68 0.50 0.08 0.00 -1.74 0.00 0.00 68.15 67.66 3iyl h THR 705 CO 0.00 0.03 0.22 -1.54 0.37 0.00 0.00 175.52 174.60 3iyl n SER 706 N -5.36 1.07 -0.04 4.18 3.41 -1.26 -4.88 113.62 110.74 3iyl n SER 706 Ca -0.12 1.14 -0.13 0.00 -0.26 0.00 0.00 58.87 59.50 3iyl n SER 706 Cb 0.33 -1.16 -0.08 0.00 -0.26 0.00 0.00 64.21 63.03 3iyl n SER 706 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 3iyl h ASP 707 N 3.32 0.22 -0.18 4.04 1.82 -1.86 -3.21 116.42 120.58 3iyl h ASP 707 Ca -0.44 -0.48 0.00 0.00 -0.39 0.00 0.00 57.03 55.73 3iyl h ASP 707 Cb 1.36 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.30 3iyl h ASP 707 CO 0.70 0.66 0.00 0.18 -1.61 0.00 0.00 179.24 179.16 3iyl n LEU 708 N -4.68 0.98 -4.70 2.28 4.77 -0.64 -3.87 117.00 111.15 3iyl n LEU 708 Ca -0.07 -0.49 -0.43 0.00 -0.03 0.00 0.00 56.01 54.99 3iyl n LEU 708 Cb 0.31 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 3iyl n LEU 708 CO 0.37 0.24 0.94 0.61 -1.33 0.00 0.00 177.39 178.22 3iyl n GLY 709 N 0.81 0.67 3.49 -0.72 0.00 -1.20 -4.57 105.19 103.66 3iyl n GLY 709 Ca 0.07 0.36 -0.43 0.00 0.00 0.00 0.00 46.02 46.02 3iyl n GLY 709 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iyl s ILE 710 N -0.83 4.69 -0.18 -0.61 1.01 -1.26 -2.21 121.20 121.80 3iyl s ILE 710 Ca 0.58 -0.05 -0.06 0.00 0.00 0.00 0.00 60.65 61.12 3iyl s ILE 710 Cb -0.58 -4.36 -0.04 0.00 0.01 0.00 0.00 42.46 37.50 3iyl s ILE 710 CO 0.59 -0.85 0.03 1.51 0.00 0.00 0.00 174.94 176.22 3iyl s ASP 711 N 2.55 5.33 0.21 3.58 -4.77 -1.09 -4.90 116.67 117.58 3iyl s ASP 711 Ca 0.23 -0.01 0.00 0.00 -3.30 0.00 0.00 52.55 49.47 3iyl s ASP 711 Cb -0.15 -1.91 0.00 0.00 -1.09 0.00 0.00 42.92 39.77 3iyl s ASP 711 CO 0.17 0.15 0.00 0.00 0.70 0.00 0.00 175.17 176.19 3iyl n ALA 712 N 3.66 0.18 -3.33 2.11 0.00 -1.26 -3.16 120.51 118.70 3iyl n ALA 712 Ca -0.17 -0.92 -0.10 0.00 0.00 0.00 0.00 53.44 52.25 3iyl n ALA 712 Cb 0.52 0.50 -0.07 0.00 0.00 0.00 0.00 19.45 20.40 3iyl n ALA 712 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iyl s VAL 713 N -1.73 -0.59 -0.26 0.00 1.01 -1.26 -2.60 120.40 114.97 3iyl s VAL 713 Ca 0.00 -0.28 -0.18 0.00 0.00 0.00 0.00 61.98 61.52 3iyl s VAL 713 Cb -0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 3iyl s VAL 713 CO 0.00 -0.28 0.54 -0.60 0.00 0.00 0.00 175.10 174.76 3iyl s ARG 714 N 2.51 4.06 0.16 2.72 3.52 -1.05 -2.48 118.95 128.39 3iyl s ARG 714 Ca 0.10 0.34 0.07 0.00 -0.13 0.00 0.00 55.73 56.11 3iyl s ARG 714 Cb -0.13 -3.66 -0.04 0.00 -1.56 0.00 0.00 34.95 29.56 3iyl s ARG 714 CO -0.28 -0.38 -0.00 -0.51 -0.81 0.00 0.00 175.30 173.32 3iyl s LEU 715 N 2.35 3.33 -0.32 -0.88 1.43 -1.24 -4.80 118.68 118.56 3iyl s LEU 715 Ca 0.22 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 52.93 3iyl s LEU 715 Cb -0.16 -2.00 0.05 0.00 0.03 0.00 0.00 46.19 44.11 3iyl s LEU 715 CO 0.09 0.11 0.05 -0.36 0.23 0.00 0.00 176.35 176.47 3iyl s PHE 716 N -1.63 3.26 -1.36 0.29 0.08 -1.26 -0.91 117.98 116.45 3iyl s PHE 716 Ca 0.27 -1.68 -0.02 0.00 0.12 0.00 0.00 56.93 55.61 3iyl s PHE 716 Cb -0.10 -2.19 0.01 0.00 -0.57 0.00 0.00 43.02 40.17 3iyl s PHE 716 CO 0.18 -0.77 0.68 -0.25 -0.10 0.00 0.00 175.22 174.96 3iyl n ASP 717 N 4.70 -1.46 -4.73 1.36 8.00 -0.91 -4.87 116.55 118.65 3iyl n ASP 717 Ca -0.13 -0.85 -0.42 0.00 0.71 0.00 0.00 54.79 54.10 3iyl n ASP 717 Cb 0.44 -3.84 -0.03 0.00 -0.02 0.00 0.00 41.12 37.67 3iyl n ASP 717 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3iyl s PRO 718 N -6.17 4.14 -1.13 -0.24 0.04 -1.26 -4.94 135.00 125.44 3iyl s PRO 718 Ca 0.09 2.55 -0.06 0.00 0.04 0.00 0.00 61.00 63.63 3iyl s PRO 718 Cb -0.05 -3.08 0.28 0.00 0.04 0.00 0.00 34.50 31.69 3iyl s PRO 718 CO 0.83 -0.70 1.55 -0.12 0.04 0.00 0.00 177.00 178.60 3iyl n MET 719 N 3.63 4.24 -1.57 4.56 1.56 -1.26 -5.00 117.12 123.28 3iyl n MET 719 Ca 0.14 -4.33 -0.44 0.00 -0.27 0.00 0.00 57.70 52.80 3iyl n MET 719 Cb 0.36 -2.61 -0.04 0.00 2.15 0.00 0.00 33.22 33.09 3iyl n MET 719 CO 0.00 0.00 0.00 1.19 -0.73 0.00 0.00 175.97 176.43 3iyl n PHE 720 N 1.99 1.86 -5.07 1.12 3.72 -1.26 -4.60 117.46 115.22 3iyl n PHE 720 Ca 0.29 -0.05 -0.31 0.00 -0.05 0.00 0.00 57.45 57.33 3iyl n PHE 720 Cb 0.34 -2.69 -0.15 0.00 -0.94 0.00 0.00 39.48 36.04 3iyl n PHE 720 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3iyl s SER 721 N 8.47 3.42 0.23 4.37 0.15 -1.26 -4.87 113.70 124.21 3iyl s SER 721 Ca 1.02 -0.41 -0.23 0.00 0.70 0.00 0.00 55.95 57.03 3iyl s SER 721 Cb -0.41 -0.50 -0.09 0.00 -1.71 0.00 0.00 66.02 63.32 3iyl s SER 721 CO 0.37 0.31 0.81 -1.81 1.20 0.00 0.00 173.24 174.12 3iyl s ASP 722 N -0.83 7.26 0.00 5.45 1.11 -1.26 -3.78 116.67 124.62 3iyl s ASP 722 Ca 0.11 1.62 0.00 0.00 0.18 0.00 0.00 52.55 54.46 3iyl s ASP 722 Cb -0.10 -2.49 0.00 0.00 1.07 0.00 0.00 42.92 41.39 3iyl s ASP 722 CO 0.01 0.07 0.00 0.00 1.18 0.00 0.00 175.17 176.42 3iyl n ALA 723 N 0.97 0.00 -3.27 5.23 0.00 -1.26 -5.00 120.51 117.18 3iyl n ALA 723 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.25 3iyl n ALA 723 Cb 0.50 -0.51 -0.15 0.00 0.00 0.00 0.00 19.45 19.28 3iyl n ALA 723 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iyl s VAL 724 N -1.70 0.33 -0.16 0.00 1.01 -1.25 -5.03 120.40 113.59 3iyl s VAL 724 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.91 3iyl s VAL 724 Cb 0.00 -0.34 0.22 0.00 0.00 0.00 0.00 36.38 36.26 3iyl s VAL 724 CO 0.00 0.14 1.41 0.00 0.00 0.00 0.00 175.10 176.65 3iyl n ALA 725 N 3.58 3.73 -1.76 5.51 0.00 -1.26 -4.73 120.51 125.59 3iyl n ALA 725 Ca -0.20 -1.01 -0.42 0.00 0.00 0.00 0.00 53.44 51.81 3iyl n ALA 725 Cb 0.54 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.80 3iyl n ALA 725 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3iyl s ASN 726 N 0.28 6.37 0.09 0.00 4.22 -1.26 -4.54 114.94 120.11 3iyl s ASN 726 Ca 0.20 2.92 -0.15 0.00 -2.14 0.00 0.00 52.86 53.69 3iyl s ASN 726 Cb 0.16 -2.62 -0.00 0.00 1.28 0.00 0.00 41.25 40.07 3iyl s ASN 726 CO 0.03 -0.93 0.84 -0.11 -2.04 0.00 0.00 177.10 174.89 3iyl n LEU 727 N 2.70 -0.53 -0.33 3.54 -0.00 -1.26 -0.08 117.00 121.03 3iyl n LEU 727 Ca 0.10 0.96 0.20 0.00 -0.00 0.00 0.00 56.01 57.27 3iyl n LEU 727 Cb 0.37 -0.14 0.41 0.00 -0.00 0.00 0.00 43.42 44.05 3iyl n LEU 727 CO 0.64 -0.80 1.10 -0.65 -0.00 0.00 0.00 177.39 177.68 3iyl h PRO 728 N 0.00 0.38 0.00 1.96 0.11 -1.90 0.78 132.00 133.33 3iyl h PRO 728 Ca 0.11 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3iyl h PRO 728 Cb 0.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.27 3iyl h PRO 728 CO -0.52 0.25 -0.51 0.45 -0.21 0.00 0.00 178.00 177.46 3iyl n SER 729 N -5.03 0.63 0.06 -2.05 2.88 0.89 -3.51 113.62 107.49 3iyl n SER 729 Ca 0.28 0.11 -0.14 0.00 -1.33 0.00 0.00 58.87 57.79 3iyl n SER 729 Cb 0.85 0.06 -0.14 0.00 -0.75 0.00 0.00 64.21 64.22 3iyl n SER 729 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 3iyl h ASN 730 N 0.00 0.30 0.46 -3.46 -1.24 0.19 -3.29 115.58 108.53 3iyl h ASN 730 Ca 0.00 -0.40 -0.14 0.00 0.71 0.00 0.00 56.30 56.47 3iyl h ASN 730 Cb 0.68 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 3iyl h ASN 730 CO 0.00 1.33 -0.60 0.00 -1.29 0.00 0.00 177.43 176.87 3iyl h ALA 731 N 0.63 0.92 -0.59 1.57 0.00 -0.59 -2.91 119.26 118.29 3iyl h ALA 731 Ca -0.20 -0.54 0.03 0.00 0.00 0.00 0.00 54.91 54.19 3iyl h ALA 731 Cb 1.97 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.64 3iyl h ALA 731 CO 0.15 0.74 0.39 1.25 0.00 0.00 0.00 179.25 181.78 3iyl h LEU 732 N 0.10 0.61 0.00 0.00 7.12 -1.63 -2.80 115.31 118.72 3iyl h LEU 732 Ca -0.01 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 57.99 3iyl h LEU 732 Cb 1.09 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 41.07 3iyl h LEU 732 CO 0.09 0.43 0.00 0.00 -0.13 0.00 0.00 178.44 178.83 3iyl n ALA 733 N -2.46 -0.26 -0.32 1.25 0.00 -1.10 -2.78 120.51 114.84 3iyl n ALA 733 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.42 3iyl n ALA 733 Cb 0.12 0.02 -0.08 0.00 0.00 0.00 0.00 19.45 19.51 3iyl n ALA 733 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3iyl n SER 734 N -1.37 -0.81 -0.32 0.00 7.64 -1.20 -1.34 113.62 116.23 3iyl n SER 734 Ca 0.00 1.44 -0.02 0.00 1.01 0.00 0.00 58.87 61.30 3iyl n SER 734 Cb 0.00 -0.22 0.03 0.00 -1.01 0.00 0.00 64.21 63.01 3iyl n SER 734 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3iyl h LEU 735 N 0.00 -1.30 -1.23 -3.43 5.85 -1.59 0.83 115.31 114.44 3iyl h LEU 735 Ca 0.12 0.28 -0.08 0.00 0.84 0.00 0.00 57.88 59.05 3iyl h LEU 735 Cb 0.31 0.68 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 3iyl h LEU 735 CO -0.71 -0.29 -0.36 0.58 -0.34 0.00 0.00 178.44 177.31 3iyl h VAL 736 N -0.06 1.08 -0.03 1.05 2.07 -1.03 -2.44 116.25 116.89 3iyl h VAL 736 Ca 0.31 -1.30 -0.18 0.00 0.82 0.00 0.00 66.70 66.35 3iyl h VAL 736 Cb 0.59 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 3iyl h VAL 736 CO -0.88 0.35 -0.78 -1.28 0.02 0.00 0.00 177.57 175.00 3iyl h SER 737 N 0.00 0.34 0.63 0.57 0.87 0.84 -2.39 113.55 114.42 3iyl h SER 737 Ca -0.00 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 3iyl h SER 737 Cb 0.71 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 3iyl h SER 737 CO 0.05 0.99 -0.00 0.54 -0.53 0.00 0.00 176.83 177.88 3iyl n ARG 738 N -3.76 0.37 -2.73 2.24 1.74 0.24 -4.11 116.66 110.65 3iyl n ARG 738 Ca -0.04 -0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.00 3iyl n ARG 738 Cb 0.74 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.76 3iyl n ARG 738 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3iyl n VAL 739 N -1.32 0.68 0.00 1.55 0.31 -0.99 -4.67 118.33 113.89 3iyl n VAL 739 Ca 0.13 -2.25 0.00 0.00 -0.01 0.00 0.00 64.34 62.21 3iyl n VAL 739 Cb 0.26 1.02 0.00 0.00 -0.91 0.00 0.00 33.84 34.21 3iyl n VAL 739 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3iyl n VAL 740 N -0.69 0.00 -1.94 2.52 0.31 -0.91 -3.82 118.33 113.80 3iyl n VAL 740 Ca -0.00 0.96 -0.30 0.00 -0.01 0.00 0.00 64.34 64.99 3iyl n VAL 740 Cb 0.83 -1.95 -0.04 0.00 -0.91 0.00 0.00 33.84 31.76 3iyl n VAL 740 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3iyl s PRO 741 N -0.93 2.41 0.00 5.55 0.04 -1.26 -4.18 135.00 136.63 3iyl s PRO 741 Ca 0.00 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.30 3iyl s PRO 741 Cb 0.00 -4.76 0.00 0.00 0.04 0.00 0.00 34.50 29.78 3iyl s PRO 741 CO 0.00 -3.30 0.00 0.45 0.04 0.00 0.00 177.00 174.19 3iyl n SER 742 N 14.37 0.00 0.13 6.66 2.88 -1.25 -4.73 113.62 131.68 3iyl n SER 742 Ca 0.34 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 3iyl n SER 742 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 3iyl n SER 742 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3iyl n SER 743 N -0.37 -2.27 -2.80 -3.46 2.88 -1.26 -4.94 113.62 101.40 3iyl n SER 743 Ca 0.00 0.63 -0.05 0.00 -1.33 0.00 0.00 58.87 58.12 3iyl n SER 743 Cb 0.00 2.30 0.01 0.00 -0.75 0.00 0.00 64.21 65.77 3iyl n SER 743 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3iyl n ILE 744 N -3.11-11.46 -3.99 2.46 5.41 -1.26 -4.19 119.36 103.22 3iyl n ILE 744 Ca 0.00 1.28 -0.35 0.00 1.00 0.00 0.00 62.75 64.67 3iyl n ILE 744 Cb 0.00 -7.15 -0.12 0.00 -0.71 0.00 0.00 39.64 31.67 3iyl n ILE 744 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 3iyl s MET 745 N -2.22 3.74 -0.12 0.38 -1.94 -1.03 -0.91 119.30 117.20 3iyl s MET 745 Ca 0.15 -0.45 -0.03 0.00 -1.71 0.00 0.00 55.69 53.65 3iyl s MET 745 Cb -0.04 -3.19 -0.03 0.00 2.01 0.00 0.00 34.83 33.58 3iyl s MET 745 CO 0.78 0.05 -0.00 0.12 -0.01 0.00 0.00 175.02 175.95 3iyl s PHE 746 N 0.95 3.12 0.20 -0.03 2.19 -0.92 -2.85 117.98 120.64 3iyl s PHE 746 Ca 0.03 0.00 0.05 0.00 0.33 0.00 0.00 56.93 57.35 3iyl s PHE 746 Cb -0.14 -1.89 -0.05 0.00 -1.31 0.00 0.00 43.02 39.63 3iyl s PHE 746 CO 0.02 0.24 -0.08 0.95 1.83 0.00 0.00 175.22 178.19 3iyl s THR 747 N -0.26 1.35 -0.33 0.12 -4.23 -0.98 -3.58 115.64 107.74 3iyl s THR 747 Ca 0.06 -2.10 -0.01 0.00 -1.18 0.00 0.00 61.69 58.45 3iyl s THR 747 Cb -0.12 -2.11 0.13 0.00 1.34 0.00 0.00 72.50 71.74 3iyl s THR 747 CO 0.02 -0.54 0.21 -0.13 -0.54 0.00 0.00 174.62 173.64 3iyl s ARG 748 N -3.75 0.43 -0.14 3.99 0.52 -1.26 -3.46 118.95 115.29 3iyl s ARG 748 Ca 0.23 -0.96 -0.15 0.00 -0.52 0.00 0.00 55.73 54.32 3iyl s ARG 748 Cb 0.03 -1.15 -0.04 0.00 0.52 0.00 0.00 34.95 34.30 3iyl s ARG 748 CO 0.06 -1.14 0.37 0.08 0.02 0.00 0.00 175.30 174.68 3iyl s VAL 749 N 1.50 5.25 -0.57 3.52 1.01 -1.06 -2.07 120.40 127.98 3iyl s VAL 749 Ca 0.15 0.72 -0.24 0.00 0.00 0.00 0.00 61.98 62.61 3iyl s VAL 749 Cb -0.20 -3.71 0.05 0.00 0.00 0.00 0.00 36.38 32.53 3iyl s VAL 749 CO -0.13 0.38 0.93 -2.16 0.00 0.00 0.00 175.10 174.11 3iyl s PRO 750 N 0.44 3.28 0.50 2.72 0.04 -1.26 -2.99 135.00 137.73 3iyl s PRO 750 Ca 0.20 -0.39 -0.13 0.00 0.04 0.00 0.00 61.00 60.72 3iyl s PRO 750 Cb -0.14 -4.08 -0.06 0.00 0.04 0.00 0.00 34.50 30.25 3iyl s PRO 750 CO 0.07 -1.53 0.92 0.45 0.04 0.00 0.00 177.00 176.95 3iyl s SER 751 N 2.97 6.50 0.00 6.66 0.15 -0.92 -4.89 113.70 124.17 3iyl s SER 751 Ca 0.28 1.38 0.09 0.00 0.70 0.00 0.00 55.95 58.40 3iyl s SER 751 Cb -0.14 -2.43 0.52 0.00 -1.71 0.00 0.00 66.02 62.26 3iyl s SER 751 CO 0.17 -0.59 0.94 -0.46 1.20 0.00 0.00 173.24 174.50 3iyl n ASN 752 N -1.77 0.00 0.00 5.45 6.94 -1.26 -4.12 115.26 120.50 3iyl n ASN 752 Ca 0.05 -0.49 0.00 0.00 -0.02 0.00 0.00 54.58 54.12 3iyl n ASN 752 Cb 0.54 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.96 3iyl n ASN 752 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3iyl n GLY 753 N -0.21 0.68 0.00 4.83 0.00 -1.26 -1.99 105.19 107.24 3iyl n GLY 753 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3iyl n GLY 753 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3iyl n PRO 754 N 0.00 0.82 -3.97 1.61 -0.04 -1.26 -4.38 135.00 127.78 3iyl n PRO 754 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 3iyl n PRO 754 Cb 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.31 3iyl n PRO 754 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3iyl s VAL 755 N 0.37 2.26 0.62 0.52 1.01 -1.26 -2.17 120.40 121.74 3iyl s VAL 755 Ca 0.00 -2.58 -0.17 0.00 0.00 0.00 0.00 61.98 59.23 3iyl s VAL 755 Cb 0.00 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 3iyl s VAL 755 CO 0.00 -0.67 1.14 -0.94 0.00 0.00 0.00 175.10 174.63 3iyl s SER 756 N 0.59 5.23 -0.43 3.32 1.04 -1.16 -2.14 113.70 120.14 3iyl s SER 756 Ca 0.13 2.15 0.05 0.00 0.48 0.00 0.00 55.95 58.76 3iyl s SER 756 Cb -0.21 -2.57 0.19 0.00 0.10 0.00 0.00 66.02 63.52 3iyl s SER 756 CO -0.06 -1.55 0.46 0.35 0.98 0.00 0.00 173.24 173.41 3iyl n THR 757 N -1.96 -0.89 -0.91 2.02 -2.24 -0.09 -2.57 114.28 107.63 3iyl n THR 757 Ca 0.12 -2.97 -0.32 0.00 -2.27 0.00 0.00 64.05 58.61 3iyl n THR 757 Cb 0.51 -1.08 0.14 0.00 -2.10 0.00 0.00 70.33 67.80 3iyl n THR 757 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3iyl s THR 758 N 0.08 2.33 -0.41 4.28 -4.23 -1.22 -3.58 115.64 112.87 3iyl s THR 758 Ca 0.33 0.11 0.08 0.00 -1.18 0.00 0.00 61.69 61.03 3iyl s THR 758 Cb 0.06 -2.30 0.28 0.00 1.34 0.00 0.00 72.50 71.88 3iyl s THR 758 CO -0.16 -0.13 0.73 -0.38 -0.54 0.00 0.00 174.62 174.13 3iyl n ILE 759 N -3.88 -0.33 -0.78 2.99 5.41 -1.03 -2.30 119.36 119.43 3iyl n ILE 759 Ca 0.12 -3.33 -0.15 0.00 1.00 0.00 0.00 62.75 60.39 3iyl n ILE 759 Cb 0.52 -0.37 0.12 0.00 -0.71 0.00 0.00 39.64 39.20 3iyl n ILE 759 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3iyl n TYR 760 N 1.02 -3.44 0.00 1.39 4.11 -1.13 -4.03 117.16 115.07 3iyl n TYR 760 Ca 0.18 -0.49 0.00 0.00 -0.00 0.00 0.00 57.90 57.59 3iyl n TYR 760 Cb 0.61 -0.55 0.00 0.00 -0.00 0.00 0.00 39.34 39.39 3iyl n TYR 760 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3iyl n GLY 761 N -1.02 1.92 3.57 -7.48 0.00 -1.19 -2.45 105.19 98.53 3iyl n GLY 761 Ca 0.07 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 3iyl n GLY 761 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iyl s LYS 762 N -1.61 3.56 -0.16 1.61 1.02 -1.26 -2.67 119.74 120.23 3iyl s LYS 762 Ca 0.00 -1.33 -0.29 0.00 0.02 0.00 0.00 55.97 54.38 3iyl s LYS 762 Cb 0.00 -5.38 -0.06 0.00 -0.52 0.00 0.00 37.83 31.87 3iyl s LYS 762 CO 0.00 -2.44 2.07 0.50 -0.92 0.00 0.00 175.35 174.56 3iyl s ARG 763 N 5.02 3.46 0.00 1.68 3.52 -0.94 -4.87 118.95 126.82 3iyl s ARG 763 Ca 0.52 2.10 0.00 0.00 -0.13 0.00 0.00 55.73 58.22 3iyl s ARG 763 Cb 0.01 -4.28 0.00 0.00 -1.56 0.00 0.00 34.95 29.12 3iyl s ARG 763 CO -0.02 -1.72 0.00 0.25 -0.81 0.00 0.00 175.30 173.00 3iyl n THR 764 N 7.04 0.00 0.95 4.11 -2.24 -1.25 -3.27 114.28 119.62 3iyl n THR 764 Ca 0.26 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.16 3iyl n THR 764 Cb 0.44 -0.34 0.21 0.00 -2.10 0.00 0.00 70.33 68.54 3iyl n THR 764 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 3iyl n PHE 765 N -0.09 0.05 0.94 4.78 -0.00 -1.26 -3.37 117.46 118.50 3iyl n PHE 765 Ca 0.00 0.01 0.14 0.00 -0.00 0.00 0.00 57.45 57.60 3iyl n PHE 765 Cb 0.00 -0.27 0.55 0.00 -0.00 0.00 0.00 39.48 39.76 3iyl n PHE 765 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3iyl n LEU 766 N -1.56 0.16 -0.12 5.98 4.77 -1.26 -2.56 117.00 122.41 3iyl n LEU 766 Ca 0.05 0.47 -0.15 0.00 -0.03 0.00 0.00 56.01 56.35 3iyl n LEU 766 Cb 0.35 -0.45 -0.13 0.00 -2.33 0.00 0.00 43.42 40.85 3iyl n LEU 766 CO 0.36 -0.02 -1.28 -1.54 -1.33 0.00 0.00 177.39 173.58 3iyl n SER 767 N -1.62 1.32 -0.01 -1.43 3.41 -1.23 -3.78 113.62 110.28 3iyl n SER 767 Ca 0.07 -0.09 0.03 0.00 -0.26 0.00 0.00 58.87 58.61 3iyl n SER 767 Cb 0.35 0.07 0.39 0.00 -0.26 0.00 0.00 64.21 64.77 3iyl n SER 767 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3iyl h ASN 768 N 0.00 0.49 -0.28 4.04 2.35 -1.55 0.72 115.58 121.34 3iyl h ASN 768 Ca -0.57 -0.03 -0.17 0.00 -0.55 0.00 0.00 56.30 54.99 3iyl h ASN 768 Cb 2.02 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 40.26 3iyl h ASN 768 CO -0.05 0.40 -0.47 0.03 -1.65 0.00 0.00 177.43 175.69 3iyl h ARG 769 N 0.57 0.82 0.19 0.81 3.08 -1.68 -2.59 114.38 115.57 3iyl h ARG 769 Ca 0.15 -0.50 -0.01 0.00 0.07 0.00 0.00 59.98 59.69 3iyl h ARG 769 Cb 0.01 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3iyl h ARG 769 CO -0.03 1.13 -0.09 -0.09 -1.07 0.00 0.00 179.97 179.83 3iyl h ARG 770 N 0.58 -0.25 -0.86 0.04 1.12 -1.44 -3.20 114.38 110.37 3iyl h ARG 770 Ca 0.02 0.02 0.18 0.00 -1.11 0.00 0.00 59.98 59.08 3iyl h ARG 770 Cb 1.08 0.06 -0.06 0.00 -0.01 0.00 0.00 29.97 31.03 3iyl h ARG 770 CO 0.11 0.16 0.57 -0.09 -3.11 0.00 0.00 179.97 177.60 3iyl h ARG 771 N -0.86 0.46 -0.59 0.20 2.43 0.32 -0.72 114.38 115.62 3iyl h ARG 771 Ca -0.03 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 3iyl h ARG 771 Cb 0.52 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 3iyl h ARG 771 CO 0.04 0.30 0.28 0.00 -1.51 0.00 0.00 179.97 179.08 3iyl h ALA 772 N 1.62 0.75 0.00 2.80 0.00 -1.51 -2.19 119.26 120.74 3iyl h ALA 772 Ca 0.44 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3iyl h ALA 772 Cb 1.00 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3iyl h ALA 772 CO -0.17 0.32 -0.07 -0.09 0.00 0.00 0.00 179.25 179.24 3iyl h ARG 773 N 0.80 0.00 -6.73 0.00 2.43 -1.13 -3.43 114.38 106.31 3iyl h ARG 773 Ca 0.20 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.85 3iyl h ARG 773 Cb 0.13 0.00 0.05 0.00 -0.42 0.00 0.00 29.97 29.73 3iyl h ARG 773 CO -0.02 0.07 0.73 -0.51 -1.51 0.00 0.00 179.97 178.72 3iyl s LEU 774 N -6.73 4.40 -0.07 3.80 1.43 -0.82 -4.49 118.68 116.19 3iyl s LEU 774 Ca -0.02 2.60 0.19 0.00 -1.03 0.00 0.00 54.13 55.87 3iyl s LEU 774 Cb 0.12 -3.62 -0.25 0.00 0.03 0.00 0.00 46.19 42.47 3iyl s LEU 774 CO 0.54 -0.65 0.40 -1.14 0.23 0.00 0.00 176.35 175.73 3iyl n ARG 775 N 2.34 0.66 -3.96 1.70 0.63 -0.62 -4.97 116.66 112.44 3iyl n ARG 775 Ca 0.06 -0.03 -0.08 0.00 -0.92 0.00 0.00 57.85 56.89 3iyl n ARG 775 Cb 0.41 -1.59 -0.09 0.00 0.45 0.00 0.00 32.46 31.64 3iyl n ARG 775 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3iyl s ASP 776 N -5.20 0.28 -0.51 6.15 1.01 -0.91 -4.59 116.67 112.91 3iyl s ASP 776 Ca -0.08 -0.77 -0.15 0.00 0.71 0.00 0.00 52.55 52.27 3iyl s ASP 776 Cb 0.10 0.27 0.11 0.00 1.01 0.00 0.00 42.92 44.40 3iyl s ASP 776 CO 0.85 -0.64 0.44 -0.69 0.21 0.00 0.00 175.17 175.34 3iyl s VAL 777 N -3.69 5.04 0.84 -1.27 1.01 -0.63 -4.83 120.40 116.87 3iyl s VAL 777 Ca 0.04 -1.41 -0.11 0.00 0.00 0.00 0.00 61.98 60.51 3iyl s VAL 777 Cb 0.05 -4.17 0.10 0.00 0.00 0.00 0.00 36.38 32.36 3iyl s VAL 777 CO -0.10 -0.76 1.13 -2.16 0.00 0.00 0.00 175.10 173.21 3iyl s PRO 778 N 1.57 1.63 0.62 2.72 0.04 -1.26 -0.75 135.00 139.58 3iyl s PRO 778 Ca 0.04 1.39 -0.06 0.00 0.04 0.00 0.00 61.00 62.41 3iyl s PRO 778 Cb -0.28 -1.81 0.02 0.00 0.04 0.00 0.00 34.50 32.48 3iyl s PRO 778 CO 0.03 -2.15 0.93 -1.64 0.04 0.00 0.00 177.00 174.22 3iyl s MET 779 N -4.71 2.71 -0.03 4.56 -1.94 -1.05 -4.72 119.30 114.11 3iyl s MET 779 Ca 0.65 -0.09 0.07 0.00 -1.71 0.00 0.00 55.69 54.61 3iyl s MET 779 Cb -0.21 -2.24 -0.01 0.00 2.01 0.00 0.00 34.83 34.38 3iyl s MET 779 CO 0.56 -0.86 -0.24 -0.51 -0.01 0.00 0.00 175.02 173.96 3iyl s LEU 780 N -5.06 2.05 -0.60 -0.03 1.02 -1.26 -0.39 118.68 114.40 3iyl s LEU 780 Ca 0.56 -0.46 -0.26 0.00 0.02 0.00 0.00 54.13 53.99 3iyl s LEU 780 Cb -0.11 -1.28 -0.10 0.00 0.02 0.00 0.00 46.19 44.72 3iyl s LEU 780 CO 0.45 0.27 2.43 -0.38 0.02 0.00 0.00 176.35 179.14 3iyl n ILE 781 N 2.69 -0.06 0.96 -0.59 5.41 -0.10 -4.71 119.36 122.97 3iyl n ILE 781 Ca -0.17 -0.68 0.05 0.00 1.00 0.00 0.00 62.75 62.95 3iyl n ILE 781 Cb 0.52 -2.42 0.29 0.00 -0.71 0.00 0.00 39.64 37.31 3iyl n ILE 781 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3iyl n THR 782 N 8.09 0.00 0.12 1.39 -2.24 -1.26 -3.67 114.28 116.71 3iyl n THR 782 Ca 0.42 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 62.07 3iyl n THR 782 Cb 0.48 -0.58 -0.07 0.00 -2.10 0.00 0.00 70.33 68.07 3iyl n THR 782 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3iyl h THR 783 N 0.00 0.74 -0.99 4.28 1.35 -1.92 0.28 112.91 116.65 3iyl h THR 783 Ca 0.00 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 66.00 3iyl h THR 783 Cb 0.00 0.74 -0.09 0.00 -1.73 0.00 0.00 68.15 67.07 3iyl h THR 783 CO 0.00 0.00 0.62 0.71 -0.25 0.00 0.00 175.52 176.60 3iyl h THR 784 N -0.28 0.87 -0.13 6.82 1.35 -1.98 0.23 112.91 119.79 3iyl h THR 784 Ca -0.01 -0.32 -0.22 0.00 -0.55 0.00 0.00 66.41 65.31 3iyl h THR 784 Cb 0.25 -0.13 0.01 0.00 -1.73 0.00 0.00 68.15 66.55 3iyl h THR 784 CO -0.01 0.17 -0.79 -0.07 -0.25 0.00 0.00 175.52 174.57 3iyl h LEU 785 N 0.92 0.93 -1.78 3.87 3.38 -1.69 -3.07 115.31 117.87 3iyl h LEU 785 Ca 0.51 -0.64 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3iyl h LEU 785 Cb 0.59 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3iyl h LEU 785 CO -0.28 1.43 -0.11 0.58 0.09 0.00 0.00 178.44 180.15 3iyl h VAL 786 N 0.50 0.39 -0.01 1.22 2.07 0.63 -3.08 116.25 117.98 3iyl h VAL 786 Ca -0.06 -0.60 -0.17 0.00 0.82 0.00 0.00 66.70 66.69 3iyl h VAL 786 Cb 1.43 1.43 0.01 0.00 -1.52 0.00 0.00 31.29 32.64 3iyl h VAL 786 CO 0.16 0.10 -0.66 -0.74 0.02 0.00 0.00 177.57 176.46 3iyl h HIS 787 N 0.00 0.68 0.00 1.57 -0.00 -0.50 -3.40 115.15 113.50 3iyl h HIS 787 Ca -0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 60.37 60.01 3iyl h HIS 787 Cb 0.42 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 3iyl h HIS 787 CO 0.00 1.18 0.00 1.04 -0.00 0.00 0.00 177.93 180.15 3iyl n GLN 788 N -4.17 0.00 -3.46 5.26 1.13 -1.16 -4.83 117.38 110.15 3iyl n GLN 788 Ca -0.10 0.13 -0.25 0.00 -1.94 0.00 0.00 57.00 54.84 3iyl n GLN 788 Cb 0.70 -0.32 0.02 0.00 0.11 0.00 0.00 30.24 30.75 3iyl n GLN 788 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 3iyl n ARG 789 N -0.48 -4.86 -3.85 -1.09 1.85 -1.26 -4.93 116.66 102.03 3iyl n ARG 789 Ca 0.00 0.67 -0.12 0.00 -1.00 0.00 0.00 57.85 57.40 3iyl n ARG 789 Cb 0.00 -5.51 -0.11 0.00 -1.05 0.00 0.00 32.46 25.79 3iyl n ARG 789 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 3iyl s ARG 790 N -6.14 0.32 -0.06 2.89 1.70 -1.26 -4.50 118.95 111.89 3iyl s ARG 790 Ca 0.47 -0.08 -0.25 0.00 -0.47 0.00 0.00 55.73 55.40 3iyl s ARG 790 Cb -0.23 0.14 -0.03 0.00 -0.57 0.00 0.00 34.95 34.25 3iyl s ARG 790 CO 0.58 -0.06 0.79 -0.06 -1.08 0.00 0.00 175.30 175.46 3iyl s PHE 791 N -0.62 3.58 0.22 5.89 0.08 -1.26 -4.73 117.98 121.14 3iyl s PHE 791 Ca -0.07 1.36 0.03 0.00 0.12 0.00 0.00 56.93 58.37 3iyl s PHE 791 Cb -0.04 -2.91 0.03 0.00 -0.57 0.00 0.00 43.02 39.53 3iyl s PHE 791 CO 0.01 0.02 0.27 0.25 -0.10 0.00 0.00 175.22 175.67 3iyl n THR 792 N 3.92 0.00 -1.98 0.64 -2.24 -0.88 -2.46 114.28 111.27 3iyl n THR 792 Ca 0.01 -0.75 -0.30 0.00 -2.27 0.00 0.00 64.05 60.74 3iyl n THR 792 Cb 0.51 -0.70 0.03 0.00 -2.10 0.00 0.00 70.33 68.06 3iyl n THR 792 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3iyl s THR 793 N -0.52 4.03 0.74 4.28 -4.23 -1.11 -4.42 115.64 114.41 3iyl s THR 793 Ca 0.20 0.55 -0.14 0.00 -1.18 0.00 0.00 61.69 61.12 3iyl s THR 793 Cb -0.02 -3.64 0.04 0.00 1.34 0.00 0.00 72.50 70.23 3iyl s THR 793 CO 0.13 -0.81 1.18 -2.16 -0.54 0.00 0.00 174.62 172.42 3iyl s PRO 794 N -5.22 2.13 1.05 3.99 0.04 -1.26 -4.51 135.00 131.23 3iyl s PRO 794 Ca 0.56 1.67 -0.12 0.00 0.04 0.00 0.00 61.00 63.15 3iyl s PRO 794 Cb -0.11 -1.84 0.22 0.00 0.04 0.00 0.00 34.50 32.81 3iyl s PRO 794 CO 0.51 -1.82 1.08 -1.25 0.04 0.00 0.00 177.00 175.56 3iyl s PRO 795 N -4.04 -0.03 -0.01 0.56 0.04 -1.26 -4.76 135.00 125.50 3iyl s PRO 795 Ca 0.72 1.13 -0.00 0.00 0.04 0.00 0.00 61.00 62.89 3iyl s PRO 795 Cb -0.27 -1.64 -0.01 0.00 0.04 0.00 0.00 34.50 32.63 3iyl s PRO 795 CO 0.46 -3.21 -0.01 0.25 0.04 0.00 0.00 177.00 174.53 3iyl n THR 796 N -4.59 0.07 -2.79 1.26 -2.24 -1.26 -5.10 114.28 99.63 3iyl n THR 796 Ca 0.07 -0.02 -0.05 0.00 -2.27 0.00 0.00 64.05 61.77 3iyl n THR 796 Cb 0.53 -1.06 0.01 0.00 -2.10 0.00 0.00 70.33 67.71 3iyl n THR 796 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3iyl n PHE 797 N -2.81 -3.07 -3.83 4.78 3.01 -1.26 -4.57 117.46 109.71 3iyl n PHE 797 Ca -0.02 1.22 -0.26 0.00 1.01 0.00 0.00 57.45 59.39 3iyl n PHE 797 Cb 0.52 -3.89 -0.17 0.00 -0.01 0.00 0.00 39.48 35.94 3iyl n PHE 797 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3iyl s THR 798 N -2.63 0.78 0.45 4.37 2.01 -1.26 -0.94 115.64 118.42 3iyl s THR 798 Ca 0.16 -0.36 0.32 0.00 0.31 0.00 0.00 61.69 62.12 3iyl s THR 798 Cb -0.05 -0.99 0.51 0.00 0.01 0.00 0.00 72.50 71.98 3iyl s THR 798 CO 0.70 0.13 1.62 -0.07 -0.69 0.00 0.00 174.62 176.31 3iyl h LEU 799 N 8.21 0.21 -8.78 4.42 -0.00 -1.26 -3.41 115.31 114.70 3iyl h LEU 799 Ca -0.22 0.12 -0.58 0.00 -0.00 0.00 0.00 57.88 57.20 3iyl h LEU 799 Cb 1.12 0.11 -0.21 0.00 -0.00 0.00 0.00 40.66 41.69 3iyl h LEU 799 CO 0.35 -0.17 -0.82 -0.36 -0.00 0.00 0.00 178.44 177.44 3iyl s PHE 800 N -5.25 1.93 0.97 1.13 0.08 -1.18 -4.44 117.98 111.21 3iyl s PHE 800 Ca -0.07 -0.42 -0.16 0.00 0.12 0.00 0.00 56.93 56.40 3iyl s PHE 800 Cb 0.29 -1.02 0.20 0.00 -0.57 0.00 0.00 43.02 41.92 3iyl s PHE 800 CO 0.83 0.28 1.31 -1.54 -0.10 0.00 0.00 175.22 176.00 3iyl s SER 801 N -2.18 3.05 -0.03 1.36 1.04 -1.14 -4.86 113.70 110.95 3iyl s SER 801 Ca 0.11 0.29 0.12 0.00 0.48 0.00 0.00 55.95 56.95 3iyl s SER 801 Cb -0.09 -0.35 -0.23 0.00 0.10 0.00 0.00 66.02 65.46 3iyl s SER 801 CO 0.06 -2.77 0.70 0.77 0.98 0.00 0.00 173.24 172.98 3iyl h SER 802 N -1.67 0.01 -3.03 7.02 4.64 -1.94 -3.41 113.55 115.16 3iyl h SER 802 Ca -0.44 -0.02 -0.62 0.00 -0.47 0.00 0.00 61.79 60.23 3iyl h SER 802 Cb 1.24 -0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.25 3iyl h SER 802 CO 0.38 1.02 -0.57 -1.61 -0.87 0.00 0.00 176.83 175.18 3iyl s GLU 803 N -2.61 3.03 -0.02 4.77 8.01 -1.26 -4.94 118.70 125.68 3iyl s GLU 803 Ca -0.05 -0.66 -0.30 0.00 0.01 0.00 0.00 54.97 53.98 3iyl s GLU 803 Cb 0.08 -2.79 -0.05 0.00 -4.31 0.00 0.00 34.13 27.05 3iyl s GLU 803 CO 0.82 0.56 1.45 0.00 0.01 0.00 0.00 175.26 178.11 3iyl s ALA 804 N -1.48 3.61 0.65 5.21 0.00 -1.26 -3.99 121.76 124.49 3iyl s ALA 804 Ca 0.31 0.88 -0.17 0.00 0.00 0.00 0.00 51.96 52.97 3iyl s ALA 804 Cb -0.12 -3.63 -0.07 0.00 0.00 0.00 0.00 23.12 19.30 3iyl s ALA 804 CO 0.24 -1.04 0.49 1.33 0.00 0.00 0.00 175.76 176.77 3iyl n VAL 805 N 4.89 1.97 -1.87 0.00 0.24 -0.75 -4.85 118.33 117.96 3iyl n VAL 805 Ca 0.14 -0.45 -0.41 0.00 -2.04 0.00 0.00 64.34 61.58 3iyl n VAL 805 Cb 0.43 -0.68 -0.01 0.00 -1.47 0.00 0.00 33.84 32.11 3iyl n VAL 805 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 3iyl s PRO 806 N -2.36 4.17 0.54 7.34 0.02 -1.26 -4.82 135.00 138.63 3iyl s PRO 806 Ca 0.67 2.49 0.44 0.00 0.02 0.00 0.00 61.00 64.61 3iyl s PRO 806 Cb -0.40 -3.01 1.65 0.00 0.02 0.00 0.00 34.50 32.76 3iyl s PRO 806 CO 0.57 -0.48 1.65 0.28 -0.33 0.00 0.00 177.00 178.69 3iyl h VAL 807 N 3.12 0.15 -0.34 3.83 2.07 -1.96 0.89 116.25 124.00 3iyl h VAL 807 Ca -0.49 -0.00 -0.10 0.00 0.82 0.00 0.00 66.70 66.92 3iyl h VAL 807 Cb 1.23 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 3iyl h VAL 807 CO 0.69 0.00 -0.22 0.74 0.02 0.00 0.00 177.57 178.80 3iyl h THR 808 N 0.01 1.27 -0.10 2.57 2.02 -2.00 -3.04 112.91 113.64 3iyl h THR 808 Ca 0.81 -1.28 -0.20 0.00 0.77 0.00 0.00 66.41 66.52 3iyl h THR 808 Cb 3.19 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 70.84 3iyl h THR 808 CO -0.05 0.42 -0.75 0.71 0.37 0.00 0.00 175.52 176.22 3iyl h THR 809 N 0.57 1.35 -0.24 3.16 1.35 0.46 -1.38 112.91 118.18 3iyl h THR 809 Ca 0.08 -2.10 0.07 0.00 -0.55 0.00 0.00 66.41 63.92 3iyl h THR 809 Cb 0.68 2.08 -0.01 0.00 -1.73 0.00 0.00 68.15 69.17 3iyl h THR 809 CO 0.05 0.64 0.20 -0.07 -0.25 0.00 0.00 175.52 176.09 3iyl h LEU 810 N 0.36 0.00 0.10 3.87 3.38 -1.38 0.27 115.31 121.91 3iyl h LEU 810 Ca -0.04 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.70 3iyl h LEU 810 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 3iyl h LEU 810 CO 0.14 0.00 -1.12 0.58 0.09 0.00 0.00 178.44 178.12 3iyl h VAL 811 N 0.00 1.21 -0.11 1.22 2.07 -1.42 -3.27 116.25 115.95 3iyl h VAL 811 Ca 0.12 -2.42 -0.00 0.00 0.82 0.00 0.00 66.70 65.22 3iyl h VAL 811 Cb 0.51 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 33.13 3iyl h VAL 811 CO -0.00 0.67 0.06 0.00 0.02 0.00 0.00 177.57 178.32 3iyl h ALA 812 N -0.04 0.14 0.00 1.67 0.00 -0.41 0.98 119.26 121.59 3iyl h ALA 812 Ca -0.24 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3iyl h ALA 812 Cb 1.63 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3iyl h ALA 812 CO 0.06 -0.32 0.00 0.00 0.00 0.00 0.00 179.25 178.98 3iyl n ALA 813 N -2.16 2.03 0.86 0.00 0.00 0.88 -0.77 120.51 121.35 3iyl n ALA 813 Ca -0.05 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.48 3iyl n ALA 813 Cb 0.07 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.43 3iyl n ALA 813 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iyl n GLY 814 N 0.05 -0.61 0.05 0.00 0.00 0.33 -4.18 105.19 100.83 3iyl n GLY 814 Ca 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 46.02 45.45 3iyl n GLY 814 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3iyl n TYR 815 N -1.22 0.00 0.21 1.61 4.01 0.05 -3.73 117.16 118.09 3iyl n TYR 815 Ca 0.04 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.85 3iyl n TYR 815 Cb 0.30 -0.45 0.35 0.00 -0.31 0.00 0.00 39.34 39.22 3iyl n TYR 815 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3iyl n ASN 816 N -2.38 0.32 -0.10 7.72 5.03 -0.89 0.17 115.26 125.13 3iyl n ASN 816 Ca -0.15 0.62 -0.11 0.00 0.87 0.00 0.00 54.58 55.81 3iyl n ASN 816 Cb 0.79 -0.67 -0.15 0.00 -1.02 0.00 0.00 39.78 38.73 3iyl n ASN 816 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3iyl n SER 817 N -1.90 0.31 -0.03 6.41 3.41 -1.26 -3.52 113.62 117.04 3iyl n SER 817 Ca 0.00 0.01 -0.15 0.00 -0.26 0.00 0.00 58.87 58.47 3iyl n SER 817 Cb 0.08 0.75 -0.11 0.00 -0.26 0.00 0.00 64.21 64.68 3iyl n SER 817 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3iyl h PHE 818 N 0.00 0.29 -0.06 7.33 3.04 -0.53 -2.22 116.94 124.79 3iyl h PHE 818 Ca -0.54 -0.15 -0.08 0.00 3.98 0.00 0.00 57.97 61.18 3iyl h PHE 818 Cb 2.19 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 40.66 3iyl h PHE 818 CO 0.00 0.93 -0.35 0.82 -2.02 0.00 0.00 178.31 177.70 3iyl h ILE 819 N -0.44 1.27 -0.20 1.41 2.04 0.15 -1.08 117.51 120.67 3iyl h ILE 819 Ca -0.03 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.54 3iyl h ILE 819 Cb 1.00 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 3iyl h ILE 819 CO 0.05 0.38 0.10 -1.28 0.00 0.00 0.00 178.15 177.40 3iyl h SER 820 N 0.11 0.25 0.67 1.72 0.87 -1.60 0.60 113.55 116.17 3iyl h SER 820 Ca 0.01 -0.11 -0.11 0.00 -1.23 0.00 0.00 61.79 60.35 3iyl h SER 820 Cb 0.67 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 3iyl h SER 820 CO 0.05 0.29 -0.52 -0.08 -0.53 0.00 0.00 176.83 176.04 3iyl h GLU 821 N 0.20 0.00 0.01 2.24 4.81 -1.07 -2.22 114.58 118.54 3iyl h GLU 821 Ca 0.07 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 3iyl h GLU 821 Cb 0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3iyl h GLU 821 CO -0.01 0.52 -0.23 1.96 -0.73 0.00 0.00 179.01 180.53 3iyl h GLN 822 N 0.00 0.14 0.00 1.92 1.08 -1.02 -3.26 115.11 113.97 3iyl h GLN 822 Ca -0.01 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 57.03 3iyl h GLN 822 Cb 0.99 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.47 3iyl h GLN 822 CO 0.07 0.92 0.00 1.15 -0.95 0.00 0.00 178.83 180.02 3iyl h THR 823 N -0.57 0.00 0.00 -0.54 2.02 -0.92 -2.33 112.91 110.56 3iyl h THR 823 Ca -0.03 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.77 3iyl h THR 823 Cb 1.01 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 3iyl h THR 823 CO 0.04 0.00 0.00 -0.09 0.37 0.00 0.00 175.52 175.84 3iyl h ARG 824 N 0.00 0.00 -6.55 6.66 2.43 -1.44 -3.42 114.38 112.07 3iyl h ARG 824 Ca 0.00 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.64 3iyl h ARG 824 Cb 0.39 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.97 3iyl h ARG 824 CO 0.00 0.00 0.83 1.21 -1.51 0.00 0.00 179.97 180.50 3iyl s ASN 825 N -4.39 6.70 0.03 -3.80 3.84 -0.88 -4.98 114.94 111.46 3iyl s ASN 825 Ca 0.02 2.45 -0.15 0.00 0.21 0.00 0.00 52.86 55.40 3iyl s ASN 825 Cb 0.09 -2.58 -0.08 0.00 -0.55 0.00 0.00 41.25 38.13 3iyl s ASN 825 CO 0.38 -0.76 1.23 -0.65 -2.79 0.00 0.00 177.10 174.51 3iyl h PRO 826 N 7.06 -0.44 0.00 0.43 0.11 -1.90 -3.12 132.00 134.13 3iyl h PRO 826 Ca -0.42 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3iyl h PRO 826 Cb 1.20 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3iyl h PRO 826 CO 0.90 -0.30 0.26 0.27 -0.21 0.00 0.00 178.00 178.92 3iyl n ASN 827 N -3.58 0.05 -0.16 -2.05 0.23 -1.26 -2.69 115.26 105.79 3iyl n ASN 827 Ca -0.06 0.30 0.08 0.00 -0.53 0.00 0.00 54.58 54.37 3iyl n ASN 827 Cb 0.20 -0.28 0.39 0.00 -2.08 0.00 0.00 39.78 38.01 3iyl n ASN 827 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 3iyl h LEU 828 N 0.00 0.59 0.00 -4.53 5.85 -1.91 -3.46 115.31 111.84 3iyl h LEU 828 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3iyl h LEU 828 Cb 0.52 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.44 3iyl h LEU 828 CO 0.00 0.37 0.00 0.00 -0.34 0.00 0.00 178.44 178.47 3iyl n ALA 829 N -2.46 0.00 -2.56 1.25 0.00 -1.10 -4.64 120.51 111.00 3iyl n ALA 829 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.12 3iyl n ALA 829 Cb 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.69 3iyl n ALA 829 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3iyl s HIS 830 N 0.00 3.30 0.04 0.00 5.65 -1.26 -3.89 115.29 119.13 3iyl s HIS 830 Ca 0.00 1.37 0.06 0.00 0.25 0.00 0.00 55.06 56.74 3iyl s HIS 830 Cb 0.00 -3.32 -0.02 0.00 -1.18 0.00 0.00 32.58 28.05 3iyl s HIS 830 CO 0.00 -0.85 -0.18 -1.17 -0.65 0.00 0.00 174.74 171.89 3iyl s LEU 831 N 2.35 2.16 0.19 8.88 2.96 -0.25 -2.34 118.68 132.63 3iyl s LEU 831 Ca 0.52 -0.49 0.08 0.00 -0.22 0.00 0.00 54.13 54.02 3iyl s LEU 831 Cb -0.21 -0.85 -0.04 0.00 0.50 0.00 0.00 46.19 45.59 3iyl s LEU 831 CO 0.18 0.12 -0.17 -1.48 -1.32 0.00 0.00 176.35 173.68 3iyl s LEU 832 N -1.13 2.50 -0.26 -0.68 2.34 -0.37 -0.47 118.68 120.62 3iyl s LEU 832 Ca 0.05 -0.94 0.02 0.00 0.06 0.00 0.00 54.13 53.33 3iyl s LEU 832 Cb -0.08 -0.79 0.07 0.00 -0.56 0.00 0.00 46.19 44.83 3iyl s LEU 832 CO 0.01 -0.08 -0.06 -0.62 -1.06 0.00 0.00 176.35 174.55 3iyl s ASP 833 N -2.99 4.21 -0.57 1.48 -1.08 -1.11 -2.16 116.67 114.45 3iyl s ASP 833 Ca 0.20 -1.41 -0.27 0.00 -0.52 0.00 0.00 52.55 50.54 3iyl s ASP 833 Cb -0.04 -1.37 -0.01 0.00 -1.46 0.00 0.00 42.92 40.05 3iyl s ASP 833 CO 0.07 -0.24 1.68 -0.76 0.52 0.00 0.00 175.17 176.44 3iyl s LEU 834 N 1.22 3.34 0.00 -1.34 1.43 -1.02 -2.08 118.68 120.23 3iyl s LEU 834 Ca -0.04 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 3iyl s LEU 834 Cb -0.19 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.22 3iyl s LEU 834 CO -0.07 -2.06 0.00 0.61 0.23 0.00 0.00 176.35 175.06 3iyl n GLY 835 N 5.51 0.78 3.41 -3.19 0.00 -0.58 -4.61 105.19 106.52 3iyl n GLY 835 Ca 0.17 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 3iyl n GLY 835 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3iyl s THR 836 N -2.76 1.71 1.29 2.61 -1.32 0.54 -4.65 115.64 113.05 3iyl s THR 836 Ca 0.00 0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.29 3iyl s THR 836 Cb 0.00 -2.07 0.32 0.00 -1.51 0.00 0.00 72.50 69.24 3iyl s THR 836 CO 0.00 0.00 1.00 -0.83 -2.21 0.00 0.00 174.62 172.58 3iyl s GLY 837 N -2.74 1.49 0.48 6.08 0.00 -1.26 -4.64 107.32 106.72 3iyl s GLY 837 Ca 0.69 -0.65 0.15 0.00 0.00 0.00 0.00 44.72 44.91 3iyl s GLY 837 CO 0.62 0.24 2.08 -0.56 0.00 0.00 0.00 173.10 175.48 3iyl h PRO 838 N -2.95 0.19 -4.91 2.90 0.13 -1.92 -3.32 132.00 122.11 3iyl h PRO 838 Ca -0.50 -0.01 -0.67 0.00 -0.87 0.00 0.00 66.00 63.95 3iyl h PRO 838 Cb 1.33 -0.04 -0.35 0.00 0.13 0.00 0.00 31.00 32.06 3iyl h PRO 838 CO 0.38 0.12 -0.80 -1.83 -0.23 0.00 0.00 178.00 175.64 3iyl s GLU 839 N -5.21 2.51 -0.64 0.86 -1.05 -1.26 -1.52 118.70 112.39 3iyl s GLU 839 Ca -0.06 -1.17 -0.40 0.00 -0.15 0.00 0.00 54.97 53.19 3iyl s GLU 839 Cb 0.18 -2.85 -0.20 0.00 -0.44 0.00 0.00 34.13 30.82 3iyl s GLU 839 CO 0.71 -0.47 2.30 0.00 0.95 0.00 0.00 175.26 178.75 3iyl n ARG 841 N 7.80 0.62 0.10 0.00 3.00 -1.26 -4.07 116.66 122.84 3iyl n ARG 841 Ca 0.58 -0.46 0.12 0.00 -0.00 0.00 0.00 57.85 58.09 3iyl n ARG 841 Cb -0.01 -1.49 0.23 0.00 0.00 0.00 0.00 32.46 31.18 3iyl n ARG 841 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 3iyl h ILE 842 N 1.12 0.00 0.00 5.15 2.10 -1.99 -3.33 117.51 120.57 3iyl h ILE 842 Ca 0.00 -0.60 0.00 0.00 1.08 0.00 0.00 64.86 65.34 3iyl h ILE 842 Cb 0.59 1.36 0.00 0.00 -1.09 0.00 0.00 36.82 37.68 3iyl h ILE 842 CO 0.00 0.00 0.00 -0.07 -1.08 0.00 0.00 178.15 177.00 3iyl h LEU 843 N 0.00 0.00 0.00 2.19 3.38 -1.96 -1.55 115.31 117.37 3iyl h LEU 843 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 3iyl h LEU 843 Cb 0.80 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 3iyl h LEU 843 CO 0.00 0.00 -1.18 0.28 0.09 0.00 0.00 178.44 177.63 3iyl h SER 844 N 0.00 0.00 -0.54 -0.43 0.02 -1.85 -3.35 113.55 107.40 3iyl h SER 844 Ca 0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 3iyl h SER 844 Cb 0.13 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.57 3iyl h SER 844 CO 0.00 0.78 0.21 0.18 -1.14 0.00 0.00 176.83 176.86 3iyl n LEU 845 N -3.12 4.93 -3.99 5.07 4.32 -0.59 -4.61 117.00 119.02 3iyl n LEU 845 Ca -0.06 -2.56 -0.16 0.00 -0.02 0.00 0.00 56.01 53.21 3iyl n LEU 845 Cb 0.90 -0.68 -0.14 0.00 -1.62 0.00 0.00 43.42 41.88 3iyl n LEU 845 CO 0.44 0.69 -0.41 -0.63 -1.22 0.00 0.00 177.39 176.26 3iyl s ILE 846 N -2.27 0.48 0.12 -0.08 1.01 -1.22 -3.80 121.20 115.44 3iyl s ILE 846 Ca 0.39 -0.39 -0.32 0.00 0.00 0.00 0.00 60.65 60.34 3iyl s ILE 846 Cb 0.31 -0.43 -0.11 0.00 0.01 0.00 0.00 42.46 42.24 3iyl s ILE 846 CO 0.10 0.05 1.82 -2.65 0.00 0.00 0.00 174.94 174.25 3iyl n PRO 847 N 2.69 2.73 0.00 2.79 -0.02 -1.26 -4.77 135.00 137.16 3iyl n PRO 847 Ca -0.14 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3iyl n PRO 847 Cb 0.57 -2.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 3iyl n PRO 847 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3iyl n PRO 848 N 5.43 0.00 -0.08 0.52 -0.02 -1.26 -0.73 135.00 138.87 3iyl n PRO 848 Ca 0.18 0.04 -0.08 0.00 -2.02 0.00 0.00 63.50 61.62 3iyl n PRO 848 Cb 0.36 -1.64 -0.12 0.00 -0.02 0.00 0.00 33.50 32.08 3iyl n PRO 848 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3iyl n THR 849 N -0.79 1.07 -1.85 3.45 -2.24 -1.26 -4.77 114.28 107.89 3iyl n THR 849 Ca 0.00 -0.63 -0.41 0.00 -2.27 0.00 0.00 64.05 60.74 3iyl n THR 849 Cb 0.14 -0.66 -0.00 0.00 -2.10 0.00 0.00 70.33 67.71 3iyl n THR 849 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3iyl s LEU 850 N -5.25 4.30 -0.57 3.22 0.20 0.09 -4.95 118.68 115.72 3iyl s LEU 850 Ca -0.10 2.98 -0.21 0.00 0.69 0.00 0.00 54.13 57.50 3iyl s LEU 850 Cb 0.05 -3.71 0.07 0.00 -0.43 0.00 0.00 46.19 42.17 3iyl s LEU 850 CO 0.61 -0.87 0.77 -1.58 -0.29 0.00 0.00 176.35 174.98 3iyl s GLN 851 N -2.11 3.13 0.20 1.98 0.74 -1.25 -4.86 119.66 117.49 3iyl s GLN 851 Ca 0.53 -0.91 0.08 0.00 0.05 0.00 0.00 55.36 55.12 3iyl s GLN 851 Cb -0.45 -4.17 -0.04 0.00 1.10 0.00 0.00 33.01 29.45 3iyl s GLN 851 CO 0.61 -1.48 0.00 0.54 -0.55 0.00 0.00 175.29 174.41 3iyl s VAL 852 N 3.14 3.65 -0.40 1.34 0.11 -0.36 -1.09 120.40 126.79 3iyl s VAL 852 Ca 0.18 -1.57 0.02 0.00 -2.93 0.00 0.00 61.98 57.68 3iyl s VAL 852 Cb -0.19 -2.87 0.15 0.00 -1.53 0.00 0.00 36.38 31.93 3iyl s VAL 852 CO 0.11 -0.19 0.26 0.42 -3.33 0.00 0.00 175.10 172.36 3iyl s THR 853 N -1.91 0.62 0.46 5.04 -4.23 0.38 -1.24 115.64 114.76 3iyl s THR 853 Ca 0.29 -2.23 -0.23 0.00 -1.18 0.00 0.00 61.69 58.33 3iyl s THR 853 Cb -0.08 -1.45 -0.07 0.00 1.34 0.00 0.00 72.50 72.24 3iyl s THR 853 CO 0.19 -1.02 1.16 0.00 -0.54 0.00 0.00 174.62 174.41 3iyl s MET 854 N 0.57 3.77 0.02 3.99 0.23 -0.83 -2.75 119.30 124.29 3iyl s MET 854 Ca 0.21 1.76 0.00 0.00 -1.03 0.00 0.00 55.69 56.63 3iyl s MET 854 Cb -0.17 -2.40 -0.02 0.00 -1.53 0.00 0.00 34.83 30.71 3iyl s MET 854 CO -0.04 -0.54 -0.03 -1.54 -2.03 0.00 0.00 175.02 170.83 3iyl s SER 855 N -1.38 0.26 -0.09 -1.18 1.04 -0.89 -2.51 113.70 108.96 3iyl s SER 855 Ca 0.63 -0.52 -0.30 0.00 0.48 0.00 0.00 55.95 56.25 3iyl s SER 855 Cb -0.28 0.10 0.10 0.00 0.10 0.00 0.00 66.02 66.04 3iyl s SER 855 CO 0.34 -0.31 0.87 -0.62 0.98 0.00 0.00 173.24 174.50 3iyl s ASP 856 N -1.51 -0.46 0.08 7.02 2.15 -0.99 -0.34 116.67 122.62 3iyl s ASP 856 Ca -0.15 0.42 -0.28 0.00 0.43 0.00 0.00 52.55 52.96 3iyl s ASP 856 Cb -0.09 0.40 -0.16 0.00 -0.30 0.00 0.00 42.92 42.77 3iyl s ASP 856 CO -0.01 -0.49 1.67 0.77 -0.17 0.00 0.00 175.17 176.94 3iyl h SER 857 N 2.58 -0.48 -4.17 -0.34 4.64 -1.88 -2.33 113.55 111.56 3iyl h SER 857 Ca -0.22 0.03 -0.51 0.00 -0.47 0.00 0.00 61.79 60.62 3iyl h SER 857 Cb 1.17 0.14 0.17 0.00 -0.31 0.00 0.00 62.40 63.57 3iyl h SER 857 CO 0.34 -0.32 0.24 -0.13 -0.87 0.00 0.00 176.83 176.09 3iyl s ARG 858 N -6.11 1.29 0.36 4.77 0.52 -1.26 -3.69 118.95 114.84 3iyl s ARG 858 Ca -0.16 1.27 -0.25 0.00 -0.52 0.00 0.00 55.73 56.07 3iyl s ARG 858 Cb 0.05 -1.78 -0.09 0.00 0.52 0.00 0.00 34.95 33.65 3iyl s ARG 858 CO 0.64 -2.35 1.02 -2.14 0.02 0.00 0.00 175.30 172.49 3iyl s PRO 859 N -4.76 4.35 0.23 3.54 0.02 -1.26 -4.79 135.00 132.34 3iyl s PRO 859 Ca 0.65 1.48 -0.30 0.00 0.02 0.00 0.00 61.00 62.84 3iyl s PRO 859 Cb -0.20 -2.69 -0.10 0.00 0.02 0.00 0.00 34.50 31.52 3iyl s PRO 859 CO 0.58 0.03 1.50 0.00 -0.33 0.00 0.00 177.00 178.78 3iyl h ALA 861 N 5.53 1.10 -2.70 0.00 0.00 -1.64 -3.44 119.26 118.12 3iyl h ALA 861 Ca -0.45 -0.46 -0.63 0.00 0.00 0.00 0.00 54.91 53.37 3iyl h ALA 861 Cb 1.21 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 3iyl h ALA 861 CO 0.82 0.63 -0.30 -1.21 0.00 0.00 0.00 179.25 179.20 3iyl s GLU 862 N -3.78 3.80 -0.64 0.00 2.02 -1.26 -4.28 118.70 114.56 3iyl s GLU 862 Ca -0.02 0.22 -0.26 0.00 0.02 0.00 0.00 54.97 54.94 3iyl s GLU 862 Cb 0.13 -3.23 -0.11 0.00 0.10 0.00 0.00 34.13 31.02 3iyl s GLU 862 CO 0.74 0.68 2.42 -0.11 0.02 0.00 0.00 175.26 179.01 3iyl n LEU 863 N 2.03 1.94 0.22 1.80 7.94 -1.26 -4.75 117.00 124.92 3iyl n LEU 863 Ca -0.16 -0.86 0.08 0.00 -1.11 0.00 0.00 56.01 53.97 3iyl n LEU 863 Cb 0.53 -1.56 0.44 0.00 0.53 0.00 0.00 43.42 43.36 3iyl n LEU 863 CO 0.36 -1.94 0.90 0.24 -1.11 0.00 0.00 177.39 175.84 3iyl h MET 864 N 16.53 0.00 -0.24 1.96 2.86 -1.93 -1.35 114.93 132.75 3iyl h MET 864 Ca -0.13 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.37 3iyl h MET 864 Cb 1.17 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.82 3iyl h MET 864 CO 1.12 0.00 -0.42 0.00 1.06 0.00 0.00 176.91 178.68 3iyl h ALA 865 N 1.08 0.82 0.00 6.32 0.00 -1.99 -3.13 119.26 122.36 3iyl h ALA 865 Ca 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 3iyl h ALA 865 Cb 0.77 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3iyl h ALA 865 CO 0.00 0.65 -0.03 0.66 0.00 0.00 0.00 179.25 180.54 3iyl h SER 866 N 0.48 0.00 -3.30 0.00 4.64 -1.57 -3.42 113.55 110.38 3iyl h SER 866 Ca 0.04 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.80 3iyl h SER 866 Cb 0.93 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.98 3iyl h SER 866 CO 0.08 0.03 -0.11 -0.36 -0.87 0.00 0.00 176.83 175.60 3iyl s PHE 867 N -4.30 3.60 0.03 4.77 0.40 -1.18 -1.60 117.98 119.69 3iyl s PHE 867 Ca -0.04 1.02 -0.30 0.00 -0.60 0.00 0.00 56.93 57.00 3iyl s PHE 867 Cb 0.14 -2.34 -0.09 0.00 0.51 0.00 0.00 43.02 41.24 3iyl s PHE 867 CO 0.51 0.43 1.92 0.34 0.70 0.00 0.00 175.22 179.12 3iyl s ASP 868 N -1.75 6.47 0.24 1.36 2.15 -1.26 -4.87 116.67 119.01 3iyl s ASP 868 Ca 0.37 2.63 -0.06 0.00 0.43 0.00 0.00 52.55 55.92 3iyl s ASP 868 Cb -0.15 -2.53 0.43 0.00 -0.30 0.00 0.00 42.92 40.37 3iyl s ASP 868 CO 0.19 -1.04 1.67 1.55 -0.17 0.00 0.00 175.17 177.37 3iyl h PRO 869 N 10.35 0.19 -0.61 4.34 0.13 -1.89 -1.12 132.00 143.38 3iyl h PRO 869 Ca -0.48 -0.01 0.09 0.00 -0.87 0.00 0.00 66.00 64.73 3iyl h PRO 869 Cb 1.23 -0.04 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 3iyl h PRO 869 CO 0.94 0.13 0.24 0.00 -0.23 0.00 0.00 178.00 179.08 3iyl h ALA 870 N 1.63 0.79 0.13 -0.56 0.00 -2.01 -3.10 119.26 116.14 3iyl h ALA 870 Ca 0.40 0.07 -0.28 0.00 0.00 0.00 0.00 54.91 55.10 3iyl h ALA 870 Cb 0.69 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.52 3iyl h ALA 870 CO -0.55 -0.17 -1.24 -0.07 0.00 0.00 0.00 179.25 177.23 3iyl h LEU 871 N 0.44 0.57 -8.06 0.00 4.07 -1.66 -3.46 115.31 107.21 3iyl h LEU 871 Ca 0.30 -0.57 -0.58 0.00 0.08 0.00 0.00 57.88 57.12 3iyl h LEU 871 Cb 0.35 -0.18 -0.34 0.00 1.08 0.00 0.00 40.66 41.57 3iyl h LEU 871 CO -0.29 1.42 -0.84 0.42 -1.08 0.00 0.00 178.44 178.08 3iyl s THR 872 N -2.79 1.47 0.13 0.22 -4.23 -0.53 -1.23 115.64 108.69 3iyl s THR 872 Ca -0.06 -0.65 0.10 0.00 -1.18 0.00 0.00 61.69 59.90 3iyl s THR 872 Cb 0.07 -1.32 -0.04 0.00 1.34 0.00 0.00 72.50 72.55 3iyl s THR 872 CO 0.90 0.43 -0.23 0.00 -0.54 0.00 0.00 174.62 175.18 3iyl s ALA 873 N 0.75 2.15 -0.08 3.99 0.00 -0.38 -4.40 121.76 123.80 3iyl s ALA 873 Ca -0.12 -1.42 -0.01 0.00 0.00 0.00 0.00 51.96 50.41 3iyl s ALA 873 Cb -0.16 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.69 3iyl s ALA 873 CO 0.02 0.42 -0.02 -0.47 0.00 0.00 0.00 175.76 175.72 3iyl s TYR 874 N -1.32 0.82 -0.14 0.00 6.14 -1.26 -1.97 117.35 119.62 3iyl s TYR 874 Ca 0.13 -0.27 -0.00 0.00 0.64 0.00 0.00 57.07 57.56 3iyl s TYR 874 Cb -0.09 -0.87 -0.01 0.00 0.42 0.00 0.00 41.96 41.41 3iyl s TYR 874 CO 0.06 -0.35 -0.13 0.08 0.64 0.00 0.00 175.55 175.85 3iyl s VAL 875 N 1.83 3.02 0.40 3.14 1.01 -1.04 -5.02 120.40 123.73 3iyl s VAL 875 Ca 0.04 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 3iyl s VAL 875 Cb -0.12 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 3iyl s VAL 875 CO -0.05 0.51 0.62 -1.10 0.00 0.00 0.00 175.10 175.08 3iyl s GLN 876 N 0.51 3.34 0.00 2.72 -0.21 -1.26 -2.35 119.66 122.41 3iyl s GLN 876 Ca -0.09 -0.33 0.00 0.00 0.02 0.00 0.00 55.36 54.96 3iyl s GLN 876 Cb -0.16 -2.59 0.00 0.00 1.00 0.00 0.00 33.01 31.26 3iyl s GLN 876 CO 0.04 -0.04 0.00 0.41 -2.12 0.00 0.00 175.29 173.58 3iyl n GLY 877 N -1.95 1.07 3.87 3.09 0.00 -0.88 -4.87 105.19 105.53 3iyl n GLY 877 Ca -0.02 -1.75 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 3iyl n GLY 877 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iyl s ASP 878 N -0.88 6.20 0.02 1.61 1.01 -1.26 -3.80 116.67 119.55 3iyl s ASP 878 Ca 0.00 1.39 0.23 0.00 0.71 0.00 0.00 52.55 54.88 3iyl s ASP 878 Cb 0.00 -2.44 0.15 0.00 1.01 0.00 0.00 42.92 41.65 3iyl s ASP 878 CO 0.00 -0.88 1.14 0.00 0.21 0.00 0.00 175.17 175.64 3iyl n TYR 879 N -2.74 0.10 0.16 4.23 0.18 -1.26 -3.93 117.16 113.89 3iyl n TYR 879 Ca 0.06 0.03 0.04 0.00 1.88 0.00 0.00 57.90 59.90 3iyl n TYR 879 Cb 0.54 -0.25 0.45 0.00 -0.38 0.00 0.00 39.34 39.70 3iyl n TYR 879 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 3iyl h SER 880 N 0.00 0.13 -3.36 9.48 0.87 -1.98 -3.42 113.55 115.27 3iyl h SER 880 Ca 0.00 -0.02 -0.56 0.00 -1.23 0.00 0.00 61.79 59.97 3iyl h SER 880 Cb 0.58 -0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.45 3iyl h SER 880 CO 0.00 0.28 0.05 0.42 -0.53 0.00 0.00 176.83 177.05 3iyl s THR 881 N -4.73 5.04 0.34 2.23 -4.23 -1.25 -4.98 115.64 108.06 3iyl s THR 881 Ca -0.05 1.37 0.12 0.00 -1.18 0.00 0.00 61.69 61.95 3iyl s THR 881 Cb 0.16 -4.00 0.33 0.00 1.34 0.00 0.00 72.50 70.32 3iyl s THR 881 CO 0.72 0.28 1.71 0.00 -0.54 0.00 0.00 174.62 176.79 3iyl h ALA 882 N 6.62 1.91 0.04 3.99 0.00 -1.91 -2.85 119.26 127.06 3iyl h ALA 882 Ca -0.41 0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.66 3iyl h ALA 882 Cb 1.19 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 3iyl h ALA 882 CO 0.75 -0.41 -0.39 0.00 0.00 0.00 0.00 179.25 179.20 3iyl h ALA 883 N 1.75 -0.63 -1.71 0.00 0.00 -1.93 -2.87 119.26 113.87 3iyl h ALA 883 Ca 0.67 -0.05 0.52 0.00 0.00 0.00 0.00 54.91 56.05 3iyl h ALA 883 Cb 1.40 0.67 -0.09 0.00 0.00 0.00 0.00 17.79 19.77 3iyl h ALA 883 CO -0.49 -0.93 1.20 0.34 0.00 0.00 0.00 179.25 179.37 3iyl n PHE 884 N -5.44 0.22 1.12 0.00 7.35 -1.07 -1.67 117.46 117.96 3iyl n PHE 884 Ca -0.06 0.22 0.00 0.00 -0.76 0.00 0.00 57.45 56.85 3iyl n PHE 884 Cb 0.36 -0.68 0.00 0.00 0.35 0.00 0.00 39.48 39.51 3iyl n PHE 884 CO 0.00 0.00 0.00 0.91 -0.76 0.00 0.00 176.76 176.91 3iyl n TRP 885 N -4.09 0.00 -3.25 -5.13 7.02 -1.08 -4.74 117.44 106.17 3iyl n TRP 885 Ca 0.41 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.46 3iyl n TRP 885 Cb 1.79 -0.07 -0.08 0.00 -2.42 0.00 0.00 31.31 30.53 3iyl n TRP 885 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 3iyl s ASN 886 N -0.27 6.23 0.00 -0.99 0.01 -0.67 -4.23 114.94 115.01 3iyl s ASN 886 Ca 0.00 -0.66 0.00 0.00 -0.71 0.00 0.00 52.86 51.49 3iyl s ASN 886 Cb 0.00 -2.25 0.00 0.00 0.41 0.00 0.00 41.25 39.41 3iyl s ASN 886 CO 0.00 -0.68 0.00 0.61 -1.51 0.00 0.00 177.10 175.52 3iyl n GLY 887 N 5.11 0.58 3.05 0.66 0.00 -1.26 -5.04 105.19 108.29 3iyl n GLY 887 Ca -0.06 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 3iyl n GLY 887 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3iyl s ILE 888 N -2.00 2.98 -0.23 -0.61 -4.36 -1.26 -5.07 121.20 110.66 3iyl s ILE 888 Ca 0.00 -2.64 -0.03 0.00 -0.26 0.00 0.00 60.65 57.72 3iyl s ILE 888 Cb 0.00 -3.05 0.01 0.00 1.25 0.00 0.00 42.46 40.66 3iyl s ILE 888 CO 0.00 -0.74 -0.07 0.00 0.24 0.00 0.00 174.94 174.38 3iyl s ARG 889 N 0.46 3.13 -0.01 0.37 1.70 -1.26 -4.71 118.95 118.63 3iyl s ARG 889 Ca 0.13 -0.78 0.02 0.00 -0.47 0.00 0.00 55.73 54.63 3iyl s ARG 889 Cb -0.22 -2.96 0.00 0.00 -0.57 0.00 0.00 34.95 31.21 3iyl s ARG 889 CO -0.04 -0.28 -0.06 0.00 -1.08 0.00 0.00 175.30 173.84 3iyl n ASP 891 N 3.18 0.00 -3.68 0.00 5.68 -0.97 -3.25 116.55 117.52 3iyl n ASP 891 Ca -0.16 0.41 -0.10 0.00 -0.50 0.00 0.00 54.79 54.44 3iyl n ASP 891 Cb 0.56 -0.46 -0.09 0.00 -1.14 0.00 0.00 41.12 39.99 3iyl n ASP 891 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3iyl s SER 892 N -2.92 -0.67 0.21 -1.12 1.04 -1.18 0.37 113.70 109.43 3iyl s SER 892 Ca 0.10 1.13 0.10 0.00 0.48 0.00 0.00 55.95 57.76 3iyl s SER 892 Cb 0.12 1.02 -0.04 0.00 0.10 0.00 0.00 66.02 67.21 3iyl s SER 892 CO 0.31 -0.21 -0.11 0.00 0.98 0.00 0.00 173.24 174.21 3iyl s ALA 893 N 1.36 2.90 -0.13 5.32 0.00 -0.94 -1.23 121.76 129.03 3iyl s ALA 893 Ca -0.09 -1.57 -0.04 0.00 0.00 0.00 0.00 51.96 50.26 3iyl s ALA 893 Cb -0.07 -0.63 0.06 0.00 0.00 0.00 0.00 23.12 22.48 3iyl s ALA 893 CO -0.14 0.41 0.11 -0.08 0.00 0.00 0.00 175.76 176.06 3iyl s THR 894 N -1.88 -0.14 -0.80 0.00 -1.32 -0.92 -2.22 115.64 108.36 3iyl s THR 894 Ca 0.26 0.05 0.02 0.00 -1.21 0.00 0.00 61.69 60.80 3iyl s THR 894 Cb -0.08 -0.45 0.32 0.00 -1.51 0.00 0.00 72.50 70.78 3iyl s THR 894 CO 0.15 -0.11 1.31 0.00 -2.21 0.00 0.00 174.62 173.76 3iyl n ALA 895 N 5.29 5.21 -2.71 11.08 0.00 0.28 -2.43 120.51 137.23 3iyl n ALA 895 Ca -0.06 -4.68 -0.37 0.00 0.00 0.00 0.00 53.44 48.33 3iyl n ALA 895 Cb 0.49 -1.43 -0.07 0.00 0.00 0.00 0.00 19.45 18.44 3iyl n ALA 895 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3iyl s ILE 896 N -4.13 5.29 0.00 0.00 1.01 -1.26 -1.76 121.20 120.36 3iyl s ILE 896 Ca 0.43 0.55 0.00 0.00 0.00 0.00 0.00 60.65 61.63 3iyl s ILE 896 Cb 0.22 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 39.05 3iyl s ILE 896 CO -0.11 0.36 0.00 0.49 0.00 0.00 0.00 174.94 175.69 3iyl n PHE 897 N 3.77 0.00 -0.03 3.97 3.01 -1.26 -4.83 117.46 122.09 3iyl n PHE 897 Ca -0.11 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.28 3iyl n PHE 897 Cb 0.52 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.96 3iyl n PHE 897 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 3iyl n THR 898 N -2.00 0.37 -0.54 4.37 -1.04 -1.26 -4.67 114.28 109.50 3iyl n THR 898 Ca 0.00 -0.08 0.43 0.00 -2.04 0.00 0.00 64.05 62.36 3iyl n THR 898 Cb 0.00 -1.59 0.70 0.00 -1.82 0.00 0.00 70.33 67.62 3iyl n THR 898 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3iyl n ILE 899 N -3.30 -0.13 0.07 12.58 0.13 -1.24 0.77 119.36 128.24 3iyl n ILE 899 Ca -0.13 1.56 -0.18 0.00 -1.10 0.00 0.00 62.75 62.90 3iyl n ILE 899 Cb 0.58 -2.57 -0.09 0.00 -0.84 0.00 0.00 39.64 36.72 3iyl n ILE 899 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 3iyl h GLY 900 N 0.00 0.62 2.00 4.50 0.00 -1.85 -3.19 103.07 105.15 3iyl h GLY 900 Ca 0.85 -1.17 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 3iyl h GLY 900 CO -0.25 1.03 -0.45 0.00 0.00 0.00 0.00 176.54 176.88 3iyl h ALA 901 N 0.50 0.93 -0.21 3.60 0.00 0.09 -3.09 119.26 121.07 3iyl h ALA 901 Ca -0.13 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.24 3iyl h ALA 901 Cb 1.74 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.45 3iyl h ALA 901 CO 0.20 0.56 -0.40 0.00 0.00 0.00 0.00 179.25 179.61 3iyl h ALA 902 N 1.55 0.33 -0.63 0.00 0.00 -1.36 0.32 119.26 119.47 3iyl h ALA 902 Ca -0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3iyl h ALA 902 Cb 1.02 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 3iyl h ALA 902 CO 0.06 0.44 0.34 0.00 0.00 0.00 0.00 179.25 180.08 3iyl h ALA 903 N 0.61 1.41 0.02 0.00 0.00 -1.55 0.32 119.26 120.07 3iyl h ALA 903 Ca 0.01 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 3iyl h ALA 903 Cb 1.00 -0.26 0.02 0.00 0.00 0.00 0.00 17.79 18.55 3iyl h ALA 903 CO 0.09 0.49 -0.76 0.00 0.00 0.00 0.00 179.25 179.07 3iyl h ALA 904 N 1.49 0.06 0.02 0.00 0.00 -1.45 0.45 119.26 119.84 3iyl h ALA 904 Ca 0.22 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 3iyl h ALA 904 Cb 0.03 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3iyl h ALA 904 CO -0.04 0.44 -0.01 0.00 0.00 0.00 0.00 179.25 179.64 3iyl h ALA 905 N 0.30 -0.03 0.00 0.00 0.00 -0.03 -1.29 119.26 118.21 3iyl h ALA 905 Ca -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3iyl h ALA 905 Cb 1.47 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3iyl h ALA 905 CO 0.15 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 178.96 3iyl n ALA 906 N -2.19 2.34 -4.35 0.00 0.00 0.11 -4.85 120.51 111.57 3iyl n ALA 906 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.01 3iyl n ALA 906 Cb 0.11 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.47 3iyl n ALA 906 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iyl n GLY 907 N 0.27 -0.23 3.56 0.00 0.00 -0.49 -4.92 105.19 103.38 3iyl n GLY 907 Ca 0.00 0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 3iyl n GLY 907 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iyl s THR 908 N -3.86 2.17 0.32 2.61 -4.23 0.16 -5.01 115.64 107.80 3iyl s THR 908 Ca 0.34 -2.16 -0.29 0.00 -1.18 0.00 0.00 61.69 58.41 3iyl s THR 908 Cb -0.20 -2.73 -0.10 0.00 1.34 0.00 0.00 72.50 70.81 3iyl s THR 908 CO 0.98 -0.16 1.24 -0.62 -0.54 0.00 0.00 174.62 175.52 3iyl s ASP 909 N -3.63 6.89 0.16 3.99 2.15 -1.26 -4.51 116.67 120.46 3iyl s ASP 909 Ca 0.33 2.55 -0.16 0.00 0.43 0.00 0.00 52.55 55.70 3iyl s ASP 909 Cb 0.04 -2.64 0.04 0.00 -0.30 0.00 0.00 42.92 40.07 3iyl s ASP 909 CO 0.17 -0.43 1.80 0.25 -0.17 0.00 0.00 175.17 176.79 3iyl h LEU 910 N 3.45 0.41 -0.22 -1.34 7.12 -1.86 0.19 115.31 123.05 3iyl h LEU 910 Ca -0.48 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.51 3iyl h LEU 910 Cb 1.22 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 41.26 3iyl h LEU 910 CO 0.66 0.29 0.06 0.40 -0.13 0.00 0.00 178.44 179.72 3iyl h ILE 911 N 0.51 1.20 -0.11 4.05 2.04 -1.93 -2.76 117.51 120.51 3iyl h ILE 911 Ca 0.16 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 3iyl h ILE 911 Cb -0.00 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3iyl h ILE 911 CO -0.07 0.20 0.01 0.00 0.00 0.00 0.00 178.15 178.29 3iyl h ALA 912 N 0.88 1.81 0.58 1.87 0.00 -1.91 -1.77 119.26 120.71 3iyl h ALA 912 Ca 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3iyl h ALA 912 Cb 0.26 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.00 3iyl h ALA 912 CO -0.00 0.15 -0.28 0.35 0.00 0.00 0.00 179.25 179.48 3iyl h PHE 913 N 0.16 -0.72 0.00 0.00 3.04 -0.68 -2.97 116.94 115.78 3iyl h PHE 913 Ca 0.04 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 3iyl h PHE 913 Cb 0.10 0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.85 3iyl h PHE 913 CO 0.00 -0.40 0.00 0.28 -2.02 0.00 0.00 178.31 176.17 3iyl h VAL 914 N -1.12 0.00 0.00 1.41 2.07 -1.47 -0.61 116.25 116.53 3iyl h VAL 914 Ca -0.08 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 3iyl h VAL 914 Cb 0.64 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3iyl h VAL 914 CO 0.13 0.00 -0.20 -0.61 0.02 0.00 0.00 177.57 176.91 3iyl h GLN 915 N 0.00 0.00 0.00 1.57 4.15 -1.15 -1.30 115.11 118.38 3iyl h GLN 915 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3iyl h GLN 915 Cb 0.17 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.86 3iyl h GLN 915 CO 0.00 0.20 -1.57 0.94 -1.93 0.00 0.00 178.83 176.48 3iyl n GLN 916 N -3.68 0.73 -0.07 1.69 7.27 -0.29 -4.41 117.38 118.63 3iyl n GLN 916 Ca -0.01 -0.12 -0.18 0.00 0.07 0.00 0.00 57.00 56.75 3iyl n GLN 916 Cb 0.32 -1.38 -0.13 0.00 2.41 0.00 0.00 30.24 31.47 3iyl n GLN 916 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 3iyl h LEU 917 N 0.00 0.06 -0.47 1.69 6.46 -1.19 -3.27 115.31 118.59 3iyl h LEU 917 Ca 0.00 -0.77 0.09 0.00 -0.12 0.00 0.00 57.88 57.08 3iyl h LEU 917 Cb 0.70 -0.02 -0.08 0.00 -0.73 0.00 0.00 40.66 40.53 3iyl h LEU 917 CO 0.00 1.30 0.00 0.40 -0.62 0.00 0.00 178.44 179.52 3iyl h ILE 918 N -0.89 0.64 0.00 4.05 2.04 -1.50 0.10 117.51 121.94 3iyl h ILE 918 Ca -0.19 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 3iyl h ILE 918 Cb 1.24 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3iyl h ILE 918 CO -0.08 0.02 -0.08 1.55 0.00 0.00 0.00 178.15 179.57 3iyl h PRO 919 N 0.12 0.00 -0.09 2.37 0.13 -1.77 -1.56 132.00 131.20 3iyl h PRO 919 Ca 0.24 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.16 3iyl h PRO 919 Cb 0.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.48 3iyl h PRO 919 CO -0.39 0.08 -0.79 0.00 -0.23 0.00 0.00 178.00 176.67 3iyl h ARG 920 N 0.00 0.57 -0.05 0.86 3.08 -1.07 -2.32 114.38 115.45 3iyl h ARG 920 Ca -0.00 -0.49 -0.09 0.00 0.07 0.00 0.00 59.98 59.47 3iyl h ARG 920 Cb 0.17 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3iyl h ARG 920 CO 0.01 1.12 -0.38 0.82 -1.07 0.00 0.00 179.97 180.47 3iyl h ILE 921 N 0.38 1.29 -0.25 2.04 1.08 -0.40 0.71 117.51 122.35 3iyl h ILE 921 Ca -0.05 -1.37 -0.05 0.00 -0.39 0.00 0.00 64.86 63.00 3iyl h ILE 921 Cb 1.40 1.67 -0.01 0.00 -3.07 0.00 0.00 36.82 36.81 3iyl h ILE 921 CO 0.15 0.40 -0.02 0.58 -0.69 0.00 0.00 178.15 178.57 3iyl h VAL 922 N 0.09 1.27 -0.30 1.67 2.07 -1.20 -0.40 116.25 119.45 3iyl h VAL 922 Ca 0.01 -0.97 -0.16 0.00 0.82 0.00 0.00 66.70 66.40 3iyl h VAL 922 Cb 0.72 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 3iyl h VAL 922 CO 0.05 0.30 -0.45 0.00 0.02 0.00 0.00 177.57 177.50 3iyl h ALA 923 N 0.79 0.64 0.00 1.67 0.00 -1.05 -2.10 119.26 119.22 3iyl h ALA 923 Ca 0.07 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3iyl h ALA 923 Cb 0.46 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3iyl h ALA 923 CO 0.02 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.94 3iyl n ALA 924 N -2.54 1.08 -1.44 0.00 0.00 0.24 -4.79 120.51 113.07 3iyl n ALA 924 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3iyl n ALA 924 Cb 0.56 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.01 3iyl n ALA 924 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iyl n GLY 925 N -1.42 0.70 3.25 0.00 0.00 -0.79 -2.22 105.19 104.71 3iyl n GLY 925 Ca 0.00 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 3iyl n GLY 925 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iyl s GLY 926 N -2.78 1.43 -0.07 -0.02 0.00 -0.18 -2.28 107.32 103.41 3iyl s GLY 926 Ca 0.00 -1.02 -0.02 0.00 0.00 0.00 0.00 44.72 43.69 3iyl s GLY 926 CO 0.00 -0.09 0.57 -0.91 0.00 0.00 0.00 173.10 172.66 3iyl h THR 927 N 5.67 0.81 -2.76 0.90 1.35 0.63 -3.43 112.91 116.08 3iyl h THR 927 Ca -0.29 -2.54 -0.60 0.00 -0.55 0.00 0.00 66.41 62.44 3iyl h THR 927 Cb 1.20 2.56 -0.16 0.00 -1.73 0.00 0.00 68.15 70.02 3iyl h THR 927 CO 0.54 0.78 -0.78 -0.13 -0.25 0.00 0.00 175.52 175.68 3iyl s ARG 928 N -2.58 1.53 -0.10 4.72 1.81 -0.99 -1.86 118.95 121.48 3iyl s ARG 928 Ca -0.15 -1.62 -0.13 0.00 -1.72 0.00 0.00 55.73 52.11 3iyl s ARG 928 Cb 0.07 -1.67 0.03 0.00 -0.45 0.00 0.00 34.95 32.93 3iyl s ARG 928 CO 0.81 0.33 0.34 -1.64 -0.68 0.00 0.00 175.30 174.46 3iyl s MET 929 N -3.14 0.48 -0.12 3.54 -1.94 -1.12 -2.22 119.30 114.78 3iyl s MET 929 Ca 0.24 0.30 -0.04 0.00 -1.71 0.00 0.00 55.69 54.48 3iyl s MET 929 Cb -0.06 0.23 0.05 0.00 2.01 0.00 0.00 34.83 37.06 3iyl s MET 929 CO 0.11 -0.09 0.12 -1.58 -0.01 0.00 0.00 175.02 173.57 3iyl s TRP 930 N -0.23 -0.00 -0.11 -0.03 0.51 -0.94 -1.19 118.94 116.95 3iyl s TRP 930 Ca -0.04 0.15 -0.01 0.00 -2.12 0.00 0.00 56.10 54.09 3iyl s TRP 930 Cb -0.03 -0.48 0.03 0.00 -0.81 0.00 0.00 33.47 32.18 3iyl s TRP 930 CO 0.02 -0.37 -0.06 -0.51 -0.51 0.00 0.00 176.95 175.52 3iyl s LEU 931 N 2.21 1.06 -0.89 2.99 1.43 -1.16 0.10 118.68 124.43 3iyl s LEU 931 Ca 0.04 -0.27 -0.15 0.00 -1.03 0.00 0.00 54.13 52.72 3iyl s LEU 931 Cb -0.14 -0.75 -0.10 0.00 0.03 0.00 0.00 46.19 45.23 3iyl s LEU 931 CO -0.07 -0.14 2.04 1.67 0.23 0.00 0.00 176.35 180.08 3iyl n GLN 932 N 4.99 1.86 -2.27 1.70 7.27 -0.72 -2.61 117.38 127.60 3iyl n GLN 932 Ca -0.11 -1.75 -0.35 0.00 0.07 0.00 0.00 57.00 54.87 3iyl n GLN 932 Cb 0.50 -2.75 -0.00 0.00 2.41 0.00 0.00 30.24 30.39 3iyl n GLN 932 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3iyl s LEU 933 N 0.79 3.75 -0.77 1.69 1.43 -1.14 -4.56 118.68 119.86 3iyl s LEU 933 Ca 0.50 2.14 -0.01 0.00 -1.03 0.00 0.00 54.13 55.73 3iyl s LEU 933 Cb 0.13 -4.58 0.19 0.00 0.03 0.00 0.00 46.19 41.96 3iyl s LEU 933 CO 0.04 -1.18 0.61 0.54 0.23 0.00 0.00 176.35 176.59 3iyl s ASN 934 N -1.83 5.53 -0.01 2.29 6.03 -1.26 -2.95 114.94 122.75 3iyl s ASN 934 Ca 0.72 -3.44 0.07 0.00 -1.03 0.00 0.00 52.86 49.18 3iyl s ASN 934 Cb -0.23 -1.85 -0.02 0.00 -3.03 0.00 0.00 41.25 36.13 3iyl s ASN 934 CO 0.27 -0.23 -0.21 0.42 -2.03 0.00 0.00 177.10 175.31 3iyl s THR 935 N -0.92 1.68 -1.29 0.54 -4.23 -1.02 -3.84 115.64 106.57 3iyl s THR 935 Ca 0.23 -0.96 -0.18 0.00 -1.18 0.00 0.00 61.69 59.60 3iyl s THR 935 Cb -0.12 -1.40 0.05 0.00 1.34 0.00 0.00 72.50 72.37 3iyl s THR 935 CO -0.10 0.43 1.76 -0.81 -0.54 0.00 0.00 174.62 175.37 3iyl n PRO 936 N 2.44 3.02 0.09 3.99 -0.04 -1.26 -4.24 135.00 139.00 3iyl n PRO 936 Ca -0.16 -3.19 -0.15 0.00 -0.04 0.00 0.00 63.50 59.97 3iyl n PRO 936 Cb 0.53 -3.52 -0.09 0.00 -0.04 0.00 0.00 33.50 30.37 3iyl n PRO 936 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 3iyl h LEU 937 N 13.13 0.47 0.04 1.53 -0.00 -1.87 -3.37 115.31 125.23 3iyl h LEU 937 Ca 0.43 -0.44 -0.00 0.00 -0.00 0.00 0.00 57.88 57.86 3iyl h LEU 937 Cb 0.88 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 3iyl h LEU 937 CO 1.44 1.29 -0.02 1.88 -0.00 0.00 0.00 178.44 183.03 3iyl h TYR 938 N 0.14 -0.04 -3.17 0.17 -1.99 -1.86 -3.48 116.97 106.74 3iyl h TYR 938 Ca -0.11 -0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.57 3iyl h TYR 938 Cb 1.79 0.01 -0.14 0.00 2.00 0.00 0.00 36.73 40.39 3iyl h TYR 938 CO 0.06 0.59 -0.02 -1.21 -0.00 0.00 0.00 178.16 177.58 3iyl s GLU 939 N -2.51 1.06 0.00 4.88 2.02 -1.26 -4.70 118.70 118.20 3iyl s GLU 939 Ca -0.14 -0.54 0.14 0.00 0.02 0.00 0.00 54.97 54.46 3iyl s GLU 939 Cb -0.01 0.47 0.53 0.00 0.10 0.00 0.00 34.13 35.22 3iyl s GLU 939 CO 0.50 -0.41 1.39 0.28 0.02 0.00 0.00 175.26 177.04 3iyl n VAL 940 N -0.01 0.26 -2.55 2.63 0.31 -1.26 -4.68 118.33 113.03 3iyl n VAL 940 Ca -0.17 -0.31 -0.37 0.00 -0.01 0.00 0.00 64.34 63.48 3iyl n VAL 940 Cb 0.63 0.19 -0.04 0.00 -0.91 0.00 0.00 33.84 33.70 3iyl n VAL 940 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3iyl s SER 941 N -1.28 6.94 0.48 4.52 0.15 -1.26 -4.94 113.70 118.32 3iyl s SER 941 Ca 0.24 2.07 0.04 0.00 0.70 0.00 0.00 55.95 59.01 3iyl s SER 941 Cb 0.13 -2.59 -0.02 0.00 -1.71 0.00 0.00 66.02 61.82 3iyl s SER 941 CO 0.18 -0.36 0.15 -0.94 1.20 0.00 0.00 173.24 173.47 3iyl s SER 942 N -1.41 4.30 -0.13 5.45 1.04 -1.26 -5.03 113.70 116.66 3iyl s SER 942 Ca 0.54 -1.38 -0.09 0.00 0.48 0.00 0.00 55.95 55.49 3iyl s SER 942 Cb -0.24 0.15 -0.05 0.00 0.10 0.00 0.00 66.02 65.98 3iyl s SER 942 CO 0.30 -0.80 0.18 -0.76 0.98 0.00 0.00 173.24 173.15 3iyl s LEU 943 N -3.97 4.33 0.20 2.42 1.43 -0.83 -5.01 118.68 117.26 3iyl s LEU 943 Ca 0.25 0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 53.70 3iyl s LEU 943 Cb 0.02 -2.17 0.23 0.00 0.03 0.00 0.00 46.19 44.30 3iyl s LEU 943 CO 0.14 0.30 1.74 1.55 0.23 0.00 0.00 176.35 180.31 3iyl h PRO 944 N 5.62 0.36 0.00 1.29 0.13 -2.01 -3.12 132.00 134.28 3iyl h PRO 944 Ca -0.49 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 3iyl h PRO 944 Cb 1.20 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 3iyl h PRO 944 CO 0.65 0.24 -1.52 -3.47 -0.23 0.00 0.00 178.00 173.67 3iyl n ASP 945 N -5.01 2.54 -0.04 1.44 2.03 -1.26 -4.79 116.55 111.46 3iyl n ASP 945 Ca 0.07 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.17 3iyl n ASP 945 Cb 0.24 1.39 -0.13 0.00 -0.72 0.00 0.00 41.12 41.90 3iyl n ASP 945 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3iyl h LEU 946 N 0.00 0.23 -7.24 -2.67 -0.00 -1.92 -3.32 115.31 100.40 3iyl h LEU 946 Ca -0.04 -0.76 -0.19 0.00 -0.00 0.00 0.00 57.88 56.89 3iyl h LEU 946 Cb 0.65 -0.08 -0.31 0.00 -0.00 0.00 0.00 40.66 40.93 3iyl h LEU 946 CO 0.00 1.58 -0.48 -0.63 -0.00 0.00 0.00 178.44 178.92 3iyl s ILE 947 N -2.44 -0.30 -0.16 1.22 1.01 -1.18 -1.25 121.20 118.11 3iyl s ILE 947 Ca -0.23 0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.56 3iyl s ILE 947 Cb 0.05 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 42.01 3iyl s ILE 947 CO 0.70 0.09 0.08 -0.70 0.00 0.00 0.00 174.94 175.11 3iyl s GLU 948 N 2.01 3.77 -0.99 2.79 2.56 -1.16 -1.96 118.70 125.72 3iyl s GLU 948 Ca -0.03 -0.29 -0.06 0.00 0.00 0.00 0.00 54.97 54.60 3iyl s GLU 948 Cb -0.11 -3.19 0.25 0.00 2.00 0.00 0.00 34.13 33.08 3iyl s GLU 948 CO -0.09 0.44 0.93 0.42 -0.56 0.00 0.00 175.26 176.40 3iyl s ILE 949 N -0.09 5.17 -0.07 -3.70 1.01 -1.26 -1.87 121.20 120.38 3iyl s ILE 949 Ca 0.08 -3.61 -0.34 0.00 0.00 0.00 0.00 60.65 56.78 3iyl s ILE 949 Cb -0.12 -4.15 -0.12 0.00 0.01 0.00 0.00 42.46 38.08 3iyl s ILE 949 CO 0.01 -1.13 1.86 -0.67 0.00 0.00 0.00 174.94 175.01 3iyl n ASP 950 N 2.57 3.41 0.06 3.58 -0.08 -0.97 -4.87 116.55 120.24 3iyl n ASP 950 Ca 0.22 0.98 0.11 0.00 -1.51 0.00 0.00 54.79 54.60 3iyl n ASP 950 Cb 0.38 -1.37 -0.05 0.00 2.34 0.00 0.00 41.12 42.43 3iyl n ASP 950 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3iyl n LEU 951 N 6.38 0.55 -0.24 -2.67 4.77 -1.26 -3.28 117.00 121.25 3iyl n LEU 951 Ca 0.22 0.17 -0.04 0.00 -0.03 0.00 0.00 56.01 56.34 3iyl n LEU 951 Cb 0.29 -0.05 0.13 0.00 -2.33 0.00 0.00 43.42 41.46 3iyl n LEU 951 CO 0.73 -0.09 1.08 0.03 -1.33 0.00 0.00 177.39 177.80 3iyl h ARG 952 N 0.00 1.07 -3.85 3.23 3.08 -1.98 -3.39 114.38 112.54 3iyl h ARG 952 Ca 0.00 -0.17 -0.49 0.00 0.07 0.00 0.00 59.98 59.39 3iyl h ARG 952 Cb 0.96 -0.19 -0.38 0.00 0.08 0.00 0.00 29.97 30.44 3iyl h ARG 952 CO 0.00 0.85 -0.78 -0.51 -1.07 0.00 0.00 179.97 178.47 3iyl s ASP 953 N -6.40 2.19 -0.90 7.04 1.01 -1.26 -5.06 116.67 113.30 3iyl s ASP 953 Ca -0.11 -0.38 -0.19 0.00 0.71 0.00 0.00 52.55 52.57 3iyl s ASP 953 Cb 0.16 -0.63 -0.24 0.00 1.01 0.00 0.00 42.92 43.22 3iyl s ASP 953 CO 0.82 -0.20 2.35 1.41 0.21 0.00 0.00 175.17 179.76 3iyl n HIS 954 N 5.04 0.55 -3.51 4.23 8.25 -1.26 -4.65 115.22 123.87 3iyl n HIS 954 Ca -0.09 0.08 -0.14 0.00 -0.26 0.00 0.00 57.72 57.31 3iyl n HIS 954 Cb 0.49 -1.62 -0.04 0.00 1.12 0.00 0.00 29.99 29.94 3iyl n HIS 954 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3iyl s VAL 955 N 6.70 0.02 0.49 1.59 0.11 -1.21 -2.64 120.40 125.46 3iyl s VAL 955 Ca 1.20 -0.13 0.06 0.00 -2.93 0.00 0.00 61.98 60.19 3iyl s VAL 955 Cb -0.69 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.17 3iyl s VAL 955 CO 0.40 -0.07 0.37 -0.31 -3.33 0.00 0.00 175.10 172.16 3iyl s TYR 956 N -2.73 2.09 -0.46 1.54 2.02 -0.27 -2.29 117.35 117.25 3iyl s TYR 956 Ca -0.04 -0.70 0.06 0.00 -0.37 0.00 0.00 57.07 56.03 3iyl s TYR 956 Cb -0.00 -2.00 0.21 0.00 -0.40 0.00 0.00 41.96 39.76 3iyl s TYR 956 CO -0.04 -0.29 0.63 0.54 -1.57 0.00 0.00 175.55 174.83 3iyl n ARG 957 N -1.63 0.55 -1.59 -0.62 1.74 -0.78 -3.42 116.66 110.92 3iyl n ARG 957 Ca 0.00 -2.48 -0.44 0.00 -0.77 0.00 0.00 57.85 54.16 3iyl n ARG 957 Cb 0.64 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.58 3iyl n ARG 957 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3iyl n PHE 958 N 2.25 1.93 -2.70 -1.55 3.72 -1.04 0.77 117.46 120.84 3iyl n PHE 958 Ca 0.19 -0.09 -0.12 0.00 -0.05 0.00 0.00 57.45 57.38 3iyl n PHE 958 Cb 0.55 -2.71 0.02 0.00 -0.94 0.00 0.00 39.48 36.40 3iyl n PHE 958 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3iyl n ASN 959 N 11.58 -4.01 -2.95 4.37 4.13 -0.38 -3.60 115.26 124.38 3iyl n ASN 959 Ca 0.31 -0.17 -0.21 0.00 1.68 0.00 0.00 54.58 56.19 3iyl n ASN 959 Cb 0.43 -2.87 0.01 0.00 -1.54 0.00 0.00 39.78 35.81 3iyl n ASN 959 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3iyl n GLY 960 N -1.18 -0.32 0.00 7.41 0.00 0.23 -3.33 105.19 108.00 3iyl n GLY 960 Ca -0.05 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.55 3iyl n GLY 960 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iyl n GLY 961 N -0.63 3.15 0.43 -0.02 0.00 -1.26 -4.93 105.19 101.93 3iyl n GLY 961 Ca -0.13 -0.86 0.33 0.00 0.00 0.00 0.00 46.02 45.37 3iyl n GLY 961 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iyl n GLU 962 N 0.00 -0.00 -3.64 1.61 1.02 -1.21 -4.19 120.64 114.22 3iyl n GLU 962 Ca 0.00 0.72 -0.05 0.00 -0.02 0.00 0.00 57.16 57.80 3iyl n GLU 962 Cb 0.00 -1.61 -0.07 0.00 -0.02 0.00 0.00 31.44 29.74 3iyl n GLU 962 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3iyl s ARG 963 N -4.27 0.35 -0.13 3.49 1.70 -1.24 -5.06 118.95 113.80 3iyl s ARG 963 Ca -0.03 0.47 0.02 0.00 -0.47 0.00 0.00 55.73 55.72 3iyl s ARG 963 Cb 0.18 0.14 0.01 0.00 -0.57 0.00 0.00 34.95 34.71 3iyl s ARG 963 CO 0.57 -0.05 -0.18 0.08 -1.08 0.00 0.00 175.30 174.64 3iyl s VAL 964 N 0.54 1.76 -0.04 4.99 1.01 -1.26 -2.49 120.40 124.91 3iyl s VAL 964 Ca -0.00 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.19 3iyl s VAL 964 Cb -0.04 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.78 3iyl s VAL 964 CO -0.11 0.49 -0.02 -1.61 0.00 0.00 0.00 175.10 173.86 3iyl s GLU 965 N 0.98 0.57 0.81 2.72 2.02 -1.22 -4.79 118.70 119.79 3iyl s GLU 965 Ca -0.05 0.01 -0.13 0.00 0.02 0.00 0.00 54.97 54.82 3iyl s GLU 965 Cb -0.15 -0.72 0.09 0.00 0.10 0.00 0.00 34.13 33.45 3iyl s GLU 965 CO -0.03 -0.15 1.20 -1.25 0.02 0.00 0.00 175.26 175.06 3iyl s PRO 966 N 1.17 1.59 0.39 0.39 0.04 -1.26 -1.11 135.00 136.21 3iyl s PRO 966 Ca -0.07 1.75 0.04 0.00 0.04 0.00 0.00 61.00 62.76 3iyl s PRO 966 Cb -0.14 -1.77 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 3iyl s PRO 966 CO -0.02 -2.25 0.15 1.52 0.04 0.00 0.00 177.00 176.45 3iyl s TYR 967 N -2.17 1.77 0.41 0.56 -0.85 -1.08 -4.78 117.35 111.21 3iyl s TYR 967 Ca 0.73 -1.35 0.02 0.00 -0.52 0.00 0.00 57.07 55.94 3iyl s TYR 967 Cb -0.28 -1.08 -0.01 0.00 0.38 0.00 0.00 41.96 40.97 3iyl s TYR 967 CO 0.51 -0.40 0.06 0.00 -1.52 0.00 0.00 175.55 174.20 3iyl n ALA 968 N -0.86 0.44 -2.76 9.51 0.00 -1.25 -4.46 120.51 121.13 3iyl n ALA 968 Ca -0.04 -1.95 -0.25 0.00 0.00 0.00 0.00 53.44 51.20 3iyl n ALA 968 Cb 0.64 1.17 -0.06 0.00 0.00 0.00 0.00 19.45 21.20 3iyl n ALA 968 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3iyl s ASP 969 N -3.37 5.26 0.12 0.00 1.01 -1.26 -4.08 116.67 114.35 3iyl s ASP 969 Ca 0.08 -0.25 -0.23 0.00 0.71 0.00 0.00 52.55 52.86 3iyl s ASP 969 Cb 0.00 -1.29 -0.04 0.00 1.01 0.00 0.00 42.92 42.61 3iyl s ASP 969 CO 0.06 0.05 1.67 1.55 0.21 0.00 0.00 175.17 178.71 3iyl h PRO 970 N 2.32 -0.19 0.26 8.23 0.13 -1.91 -2.36 132.00 138.49 3iyl h PRO 970 Ca -0.47 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 3iyl h PRO 970 Cb 1.21 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3iyl h PRO 970 CO 0.61 -0.13 -0.12 -0.24 -0.23 0.00 0.00 178.00 177.89 3iyl h VAL 971 N -0.20 0.64 -0.33 1.56 3.04 -1.96 -2.03 116.25 116.98 3iyl h VAL 971 Ca 0.08 -0.86 0.04 0.00 -1.01 0.00 0.00 66.70 64.94 3iyl h VAL 971 Cb 0.30 1.03 -0.04 0.00 -2.01 0.00 0.00 31.29 30.58 3iyl h VAL 971 CO -0.20 0.15 0.12 -0.65 -1.01 0.00 0.00 177.57 175.97 3iyl h PRO 972 N -0.88 0.25 -0.10 4.17 0.11 -1.99 -1.71 132.00 131.85 3iyl h PRO 972 Ca -0.04 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.99 3iyl h PRO 972 Cb 0.51 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 3iyl h PRO 972 CO 0.06 0.17 -0.26 1.25 -0.21 0.00 0.00 178.00 179.01 3iyl h LEU 973 N 0.26 0.18 -0.13 2.35 7.12 -1.56 -1.56 115.31 121.97 3iyl h LEU 973 Ca 0.15 -0.05 -0.01 0.00 0.13 0.00 0.00 57.88 58.10 3iyl h LEU 973 Cb 0.12 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.20 3iyl h LEU 973 CO -0.15 0.45 0.06 -0.61 -0.13 0.00 0.00 178.44 178.05 3iyl h GLN 974 N 0.17 0.20 0.00 1.25 5.75 -0.60 -2.33 115.11 119.55 3iyl h GLN 974 Ca 0.03 -0.03 -0.14 0.00 -0.15 0.00 0.00 58.65 58.35 3iyl h GLN 974 Cb 0.55 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.05 3iyl h GLN 974 CO 0.04 0.28 -0.67 1.96 -2.65 0.00 0.00 178.83 177.80 3iyl h GLN 975 N 0.06 0.00 -0.48 1.69 4.20 -1.21 -2.18 115.11 117.19 3iyl h GLN 975 Ca 0.04 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.64 3iyl h GLN 975 Cb 0.16 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3iyl h GLN 975 CO -0.00 0.67 -0.15 0.00 -0.67 0.00 0.00 178.83 178.68 3iyl h ALA 976 N 1.33 0.84 0.00 3.87 0.00 -1.18 -0.59 119.26 123.53 3iyl h ALA 976 Ca -0.01 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.38 3iyl h ALA 976 Cb 1.25 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3iyl h ALA 976 CO 0.09 0.65 -0.82 0.82 0.00 0.00 0.00 179.25 179.99 3iyl h ILE 977 N 0.81 1.48 0.00 0.00 2.04 -1.38 -2.52 117.51 117.94 3iyl h ILE 977 Ca 0.12 -2.91 -0.10 0.00 1.00 0.00 0.00 64.86 62.98 3iyl h ILE 977 Cb 0.68 2.61 -0.01 0.00 -0.74 0.00 0.00 36.82 39.36 3iyl h ILE 977 CO 0.05 0.80 -0.46 0.00 0.00 0.00 0.00 178.15 178.54 3iyl h ALA 978 N 1.18 0.91 0.00 1.87 0.00 -1.18 -1.44 119.26 120.60 3iyl h ALA 978 Ca -0.01 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.33 3iyl h ALA 978 Cb 1.55 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 3iyl h ALA 978 CO 0.11 0.58 -0.72 0.00 0.00 0.00 0.00 179.25 179.22 3iyl h ALA 979 N 1.54 0.54 0.32 0.00 0.00 -1.03 -2.71 119.26 117.91 3iyl h ALA 979 Ca -0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 3iyl h ALA 979 Cb 1.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3iyl h ALA 979 CO 0.06 0.90 -0.15 1.25 0.00 0.00 0.00 179.25 181.31 3iyl h LEU 980 N 0.00 -0.37 -7.58 0.00 7.12 -1.12 -3.38 115.31 109.98 3iyl h LEU 980 Ca -0.01 0.01 -0.72 0.00 0.13 0.00 0.00 57.88 57.29 3iyl h LEU 980 Cb 1.55 0.09 -0.33 0.00 -0.53 0.00 0.00 40.66 41.45 3iyl h LEU 980 CO 0.09 -0.03 -0.19 -0.76 -0.13 0.00 0.00 178.44 177.43 3iyl s LEU 981 N -8.03 5.68 0.18 2.25 1.43 -0.57 -4.95 118.68 114.67 3iyl s LEU 981 Ca -0.06 -2.99 -0.11 0.00 -1.03 0.00 0.00 54.13 49.93 3iyl s LEU 981 Cb 0.01 -1.96 0.08 0.00 0.03 0.00 0.00 46.19 44.35 3iyl s LEU 981 CO 0.19 -0.38 1.73 1.55 0.23 0.00 0.00 176.35 179.66 3iyl h PRO 982 N 7.02 0.93 0.00 1.29 0.13 -1.68 -3.15 132.00 136.54 3iyl h PRO 982 Ca 0.05 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 3iyl h PRO 982 Cb 0.95 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3iyl h PRO 982 CO 0.75 0.80 -0.06 0.00 -0.23 0.00 0.00 178.00 179.26 3iyl h ALA 983 N 1.08 0.97 -2.75 -0.56 0.00 -1.92 -3.45 119.26 112.63 3iyl h ALA 983 Ca 0.20 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.61 3iyl h ALA 983 Cb 0.23 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.06 3iyl h ALA 983 CO -0.01 0.00 0.51 0.00 0.00 0.00 0.00 179.25 179.75 3iyl s ALA 984 N -3.19 3.23 -0.22 0.00 0.00 -1.19 -3.58 121.76 116.82 3iyl s ALA 984 Ca 0.08 0.97 -0.15 0.00 0.00 0.00 0.00 51.96 52.86 3iyl s ALA 984 Cb 0.07 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 3iyl s ALA 984 CO 0.66 -0.46 0.38 0.00 0.00 0.00 0.00 175.76 176.33 3iyl s ALA 985 N -1.36 3.56 0.25 0.00 0.00 -0.27 -4.21 121.76 119.73 3iyl s ALA 985 Ca 0.54 -0.61 0.04 0.00 0.00 0.00 0.00 51.96 51.93 3iyl s ALA 985 Cb -0.31 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 3iyl s ALA 985 CO 0.40 -0.36 0.39 -0.51 0.00 0.00 0.00 175.76 175.68 3iyl s LEU 986 N 1.44 4.26 -0.29 0.00 1.43 -1.26 -1.17 118.68 123.10 3iyl s LEU 986 Ca 0.17 0.16 -0.24 0.00 -1.03 0.00 0.00 54.13 53.19 3iyl s LEU 986 Cb -0.15 -2.96 0.13 0.00 0.03 0.00 0.00 46.19 43.25 3iyl s LEU 986 CO 0.08 -0.10 1.08 -0.94 0.23 0.00 0.00 176.35 176.70 3iyl s SER 987 N -3.91 -0.40 -0.39 2.29 1.04 -0.65 -1.41 113.70 110.26 3iyl s SER 987 Ca 0.35 0.76 -0.14 0.00 0.48 0.00 0.00 55.95 57.40 3iyl s SER 987 Cb -0.09 0.82 0.01 0.00 0.10 0.00 0.00 66.02 66.86 3iyl s SER 987 CO 0.30 -0.13 0.28 0.26 0.98 0.00 0.00 173.24 174.93 3iyl s TRP 988 N 0.36 3.24 -0.07 5.02 0.52 -1.26 -0.48 118.94 126.26 3iyl s TRP 988 Ca 0.02 -0.53 -0.12 0.00 0.02 0.00 0.00 56.10 55.50 3iyl s TRP 988 Cb -0.05 -2.56 -0.05 0.00 -1.15 0.00 0.00 33.47 29.67 3iyl s TRP 988 CO -0.09 -0.54 0.29 -1.01 0.02 0.00 0.00 176.95 175.62 3iyl s HIS 989 N 1.68 3.63 0.01 -1.98 3.76 -1.10 -4.93 115.29 116.37 3iyl s HIS 989 Ca 0.05 0.75 -0.07 0.00 -0.15 0.00 0.00 55.06 55.64 3iyl s HIS 989 Cb -0.19 -2.17 -0.00 0.00 1.11 0.00 0.00 32.58 31.33 3iyl s HIS 989 CO 0.10 0.60 0.14 0.95 -0.85 0.00 0.00 174.74 175.68 3iyl s THR 990 N -0.77 0.10 -0.85 1.30 -4.23 -1.26 -2.22 115.64 107.70 3iyl s THR 990 Ca 0.19 -0.79 -0.33 0.00 -1.18 0.00 0.00 61.69 59.59 3iyl s THR 990 Cb -0.14 -0.58 -0.20 0.00 1.34 0.00 0.00 72.50 72.92 3iyl s THR 990 CO 0.08 -0.43 2.57 -0.11 -0.54 0.00 0.00 174.62 176.19 3iyl n LEU 991 N 1.23 0.63 -4.69 4.79 7.94 -1.26 -4.86 117.00 120.77 3iyl n LEU 991 Ca -0.22 0.20 -0.42 0.00 -1.11 0.00 0.00 56.01 54.46 3iyl n LEU 991 Cb 0.56 -1.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.49 3iyl n LEU 991 CO 0.21 -0.81 0.87 -0.94 -1.11 0.00 0.00 177.39 175.61 3iyl s SER 992 N 8.79 7.14 0.59 1.96 1.04 -1.26 -4.73 113.70 127.22 3iyl s SER 992 Ca 1.29 1.76 0.03 0.00 0.48 0.00 0.00 55.95 59.51 3iyl s SER 992 Cb -1.18 -2.56 0.15 0.00 0.10 0.00 0.00 66.02 62.53 3iyl s SER 992 CO 0.49 -0.49 1.04 -0.65 0.98 0.00 0.00 173.24 174.61 3iyl h PRO 993 N 7.19 0.00 0.00 4.02 0.11 -1.89 0.23 132.00 141.66 3iyl h PRO 993 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3iyl h PRO 993 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3iyl h PRO 993 CO 0.85 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.89 3iyl n THR 994 N -2.38 1.25 -2.88 -1.15 -2.24 -1.26 -4.84 114.28 100.79 3iyl n THR 994 Ca -0.00 0.41 -0.17 0.00 -2.27 0.00 0.00 64.05 62.02 3iyl n THR 994 Cb 0.88 -1.32 -0.00 0.00 -2.10 0.00 0.00 70.33 67.80 3iyl n THR 994 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iyl h ASP 996 N -0.51 0.00 0.88 0.00 2.03 -1.86 -1.89 116.42 115.07 3iyl h ASP 996 Ca -0.35 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.95 3iyl h ASP 996 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 3iyl h ASP 996 CO 0.43 0.00 0.00 -2.67 -1.03 0.00 0.00 179.24 175.97 3iyl n TRP 997 N -2.47 0.86 -0.42 4.15 2.14 -1.26 -4.13 117.44 116.32 3iyl n TRP 997 Ca 0.01 0.32 0.36 0.00 2.07 0.00 0.00 57.50 60.26 3iyl n TRP 997 Cb 0.22 -1.02 0.60 0.00 -0.81 0.00 0.00 31.31 30.31 3iyl n TRP 997 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 3iyl n LEU 998 N -2.27 0.19 -0.85 5.67 4.77 -0.71 -1.57 117.00 122.22 3iyl n LEU 998 Ca 0.03 1.23 0.00 0.00 -0.03 0.00 0.00 56.01 57.24 3iyl n LEU 998 Cb 0.27 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 3iyl n LEU 998 CO 0.22 -1.34 0.18 -0.81 -1.33 0.00 0.00 177.39 174.30 3iyl n PRO 999 N -4.49 0.41 0.00 3.23 -0.04 -1.26 -1.26 135.00 131.59 3iyl n PRO 999 Ca 0.36 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 3iyl n PRO 999 Cb 1.39 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 33.58 3iyl n PRO 999 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3iyl n TYR 1000N 0.65 0.00 -0.03 0.54 4.01 -0.61 -4.02 117.16 117.71 3iyl n TYR 1000Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.68 3iyl n TYR 1000Cb 0.18 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.19 3iyl n TYR 1000CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3iyl n ILE 1001N -0.67 0.29 0.40 -0.72 5.41 -0.39 -4.15 119.36 119.54 3iyl n ILE 1001Ca 0.00 -0.08 0.12 0.00 1.00 0.00 0.00 62.75 63.80 3iyl n ILE 1001Cb 0.00 -1.53 0.22 0.00 -0.71 0.00 0.00 39.64 37.62 3iyl n ILE 1001CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3iyl h ILE 1002N -0.18 0.00 0.00 1.39 2.04 -1.51 0.16 117.51 119.41 3iyl h ILE 1002Ca -0.14 -0.73 -0.20 0.00 1.00 0.00 0.00 64.86 64.79 3iyl h ILE 1002Cb 1.12 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 38.75 3iyl h ILE 1002CO -0.08 0.00 -0.98 1.23 0.00 0.00 0.00 178.15 178.33 3iyl h GLY 1003N 4.27 0.00 0.38 5.37 0.00 -1.68 -3.28 103.07 108.12 3iyl h GLY 1003Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3iyl h GLY 1003CO 0.00 0.00 -0.82 -0.62 0.00 0.00 0.00 176.54 175.10 3iyl n VAL 1004N -3.32 0.00 -0.51 4.60 0.31 -1.23 -4.57 118.33 113.61 3iyl n VAL 1004Ca -0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3iyl n VAL 1004Cb 0.92 0.71 0.00 0.00 -0.91 0.00 0.00 33.84 34.56 3iyl n VAL 1004CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3iyl n GLY 1005N 1.50 0.65 3.10 2.92 0.00 -1.12 -4.94 105.19 107.30 3iyl n GLY 1005Ca 0.04 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 3iyl n GLY 1005CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iyl s SER 1006N -1.73 2.08 1.10 1.61 0.01 0.55 -2.87 113.70 114.46 3iyl s SER 1006Ca 0.00 -0.35 -0.15 0.00 1.31 0.00 0.00 55.95 56.76 3iyl s SER 1006Cb 0.00 -0.75 0.24 0.00 0.21 0.00 0.00 66.02 65.72 3iyl s SER 1006CO 0.00 0.11 1.08 -2.84 0.41 0.00 0.00 173.24 172.00 3iyl s PRO 1007N 0.29 -0.41 0.17 12.44 0.02 -1.25 -4.22 135.00 142.04 3iyl s PRO 1007Ca -0.09 0.35 -0.24 0.00 0.02 0.00 0.00 61.00 61.04 3iyl s PRO 1007Cb -0.13 -1.65 0.07 0.00 0.02 0.00 0.00 34.50 32.80 3iyl s PRO 1007CO 0.03 -3.26 0.99 -0.48 -0.33 0.00 0.00 177.00 173.95 3iyl s LEU 1008N -6.76 -0.10 -0.24 -5.54 0.05 -1.02 -1.80 118.68 103.27 3iyl s LEU 1008Ca 0.67 -0.53 -0.00 0.00 0.05 0.00 0.00 54.13 54.33 3iyl s LEU 1008Cb -0.17 2.15 0.03 0.00 -2.05 0.00 0.00 46.19 46.15 3iyl s LEU 1008CO 0.58 -0.96 -0.10 0.20 -0.55 0.00 0.00 176.35 175.53 3iyl s ASN 1009N -3.10 4.12 0.34 1.48 -0.87 -1.26 -1.50 114.94 114.15 3iyl s ASN 1009Ca 0.16 -0.94 0.16 0.00 -1.57 0.00 0.00 52.86 50.66 3iyl s ASN 1009Cb -0.02 -1.61 0.86 0.00 -0.02 0.00 0.00 41.25 40.46 3iyl s ASN 1009CO 0.04 -0.12 1.41 -0.07 -2.57 0.00 0.00 177.10 175.79 3iyl h LEU 1010N 7.95 0.00 0.00 0.60 3.38 -1.77 0.66 115.31 126.13 3iyl h LEU 1010Ca -0.32 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.53 3iyl h LEU 1010Cb 1.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 3iyl h LEU 1010CO 0.56 0.00 -0.85 0.77 0.09 0.00 0.00 178.44 179.02 3iyl h SER 1011N 0.00 0.00 1.48 -0.43 4.64 -1.71 -3.29 113.55 114.24 3iyl h SER 1011Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 3iyl h SER 1011Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 3iyl h SER 1011CO 0.00 0.49 -0.42 0.44 -0.87 0.00 0.00 176.83 176.47 3iyl h ASP 1012N 0.00 0.00 -1.06 4.97 3.32 0.01 -3.13 116.42 120.52 3iyl h ASP 1012Ca -0.06 0.00 0.29 0.00 0.02 0.00 0.00 57.03 57.27 3iyl h ASP 1012Cb 1.43 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.87 3iyl h ASP 1012CO 0.05 0.42 0.67 0.40 -1.72 0.00 0.00 179.24 179.06 3iyl h ILE 1013N 0.00 0.47 -0.54 0.35 2.04 -1.64 1.29 117.51 119.48 3iyl h ILE 1013Ca -0.00 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 3iyl h ILE 1013Cb 1.27 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3iyl h ILE 1013CO 0.05 0.07 0.13 -1.13 0.00 0.00 0.00 178.15 177.28 3iyl h ASN 1014N 0.39 0.82 0.28 1.72 -1.24 -1.77 0.05 115.58 115.84 3iyl h ASN 1014Ca 0.64 -0.23 -0.01 0.00 0.71 0.00 0.00 56.30 57.40 3iyl h ASN 1014Cb 1.59 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 40.42 3iyl h ASN 1014CO -0.36 0.84 -0.14 0.74 -1.29 0.00 0.00 177.43 177.22 3iyl h THR 1015N 0.77 0.74 -0.21 -3.57 2.02 0.14 -2.58 112.91 110.22 3iyl h THR 1015Ca 0.17 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 67.17 3iyl h THR 1015Cb 0.34 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 3iyl h THR 1015CO 0.00 0.03 -0.07 0.00 0.37 0.00 0.00 175.52 175.85 3iyl h ALA 1016N 0.25 1.49 0.00 6.16 0.00 -0.75 0.39 119.26 126.80 3iyl h ALA 1016Ca -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3iyl h ALA 1016Cb 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3iyl h ALA 1016CO 0.06 0.36 0.00 -0.89 0.00 0.00 0.00 179.25 178.79 3iyl n ILE 1017N -4.29 0.34 0.07 0.00 5.41 -0.00 0.80 119.36 121.68 3iyl n ILE 1017Ca 0.00 0.09 0.06 0.00 1.00 0.00 0.00 62.75 63.90 3iyl n ILE 1017Cb 0.25 -0.72 -0.09 0.00 -0.71 0.00 0.00 39.64 38.36 3iyl n ILE 1017CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 3iyl n SER 1018N -1.31 1.90 0.03 4.38 2.88 0.04 -3.78 113.62 117.76 3iyl n SER 1018Ca 0.10 -0.10 0.01 0.00 -1.33 0.00 0.00 58.87 57.54 3iyl n SER 1018Cb 0.18 1.50 -0.08 0.00 -0.75 0.00 0.00 64.21 65.06 3iyl n SER 1018CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3iyl n TYR 1019N -1.86 0.86 0.09 0.66 -0.00 0.12 -3.28 117.16 113.75 3iyl n TYR 1019Ca -0.02 0.28 -0.06 0.00 -0.00 0.00 0.00 57.90 58.11 3iyl n TYR 1019Cb 0.31 -1.04 0.00 0.00 -0.00 0.00 0.00 39.34 38.62 3iyl n TYR 1019CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 3iyl h SER 1020N 0.00 0.08 1.11 2.98 0.87 0.20 -2.94 113.55 115.85 3iyl h SER 1020Ca -0.16 -0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.28 3iyl h SER 1020Cb 1.53 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.46 3iyl h SER 1020CO 0.04 0.89 -0.22 0.03 -0.53 0.00 0.00 176.83 177.03 3iyl h ARG 1021N 0.03 0.00 0.00 2.24 3.08 -1.65 -2.54 114.38 115.54 3iyl h ARG 1021Ca -0.02 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 3iyl h ARG 1021Cb 1.48 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.53 3iyl h ARG 1021CO 0.12 0.22 -0.26 -0.07 -1.07 0.00 0.00 179.97 178.91 3iyl h LEU 1022N 0.00 0.00 -6.28 3.04 -0.00 -1.51 -3.33 115.31 107.24 3iyl h LEU 1022Ca -0.00 0.00 -0.58 0.00 -0.00 0.00 0.00 57.88 57.29 3iyl h LEU 1022Cb 0.84 0.00 -0.38 0.00 -0.00 0.00 0.00 40.66 41.11 3iyl h LEU 1022CO 0.03 0.25 -1.01 0.35 -0.00 0.00 0.00 178.44 178.06 3iyl n THR 1023N -3.16 -1.10 -1.08 0.22 -2.24 -0.98 -2.43 114.28 103.51 3iyl n THR 1023Ca 0.03 -3.56 -0.30 0.00 -2.27 0.00 0.00 64.05 57.95 3iyl n THR 1023Cb 0.63 -1.73 0.23 0.00 -2.10 0.00 0.00 70.33 67.37 3iyl n THR 1023CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3iyl s PRO 1024N -0.24 -1.08 -0.43 -0.78 0.04 -1.03 -4.79 135.00 126.68 3iyl s PRO 1024Ca 0.33 0.00 0.01 0.00 0.04 0.00 0.00 61.00 61.39 3iyl s PRO 1024Cb 0.07 -1.61 0.12 0.00 0.04 0.00 0.00 34.50 33.12 3iyl s PRO 1024CO -0.18 -3.63 0.18 0.42 0.04 0.00 0.00 177.00 173.83 3iyl s ILE 1025N -2.99 2.77 -0.42 0.56 1.01 -0.94 -2.91 121.20 118.29 3iyl s ILE 1025Ca 0.70 -2.55 -0.28 0.00 0.00 0.00 0.00 60.65 58.53 3iyl s ILE 1025Cb -0.11 -2.94 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 3iyl s ILE 1025CO 0.56 -0.70 1.91 -0.22 0.00 0.00 0.00 174.94 176.49 3iyl s LEU 1026N 0.60 3.43 -0.47 2.97 1.98 -1.07 -2.69 118.68 123.43 3iyl s LEU 1026Ca 0.12 1.03 -0.19 0.00 -2.89 0.00 0.00 54.13 52.21 3iyl s LEU 1026Cb -0.22 -3.12 0.04 0.00 0.66 0.00 0.00 46.19 43.56 3iyl s LEU 1026CO -0.05 -2.04 0.58 -2.28 -1.89 0.00 0.00 176.35 170.67 3iyl s HIS 1027N 8.17 3.08 0.30 5.38 5.65 0.37 -2.97 115.29 135.27 3iyl s HIS 1027Ca 0.79 -0.39 0.00 0.00 0.25 0.00 0.00 55.06 55.72 3iyl s HIS 1027Cb -0.20 -3.33 -0.04 0.00 -1.18 0.00 0.00 32.58 27.84 3iyl s HIS 1027CO 0.29 -0.91 0.50 0.42 -0.65 0.00 0.00 174.74 174.39 3iyl s ILE 1028N 2.54 5.14 -0.38 0.89 1.01 -0.33 -1.63 121.20 128.44 3iyl s ILE 1028Ca 0.16 -0.46 0.05 0.00 0.00 0.00 0.00 60.65 60.40 3iyl s ILE 1028Cb -0.18 -3.83 0.17 0.00 0.01 0.00 0.00 42.46 38.64 3iyl s ILE 1028CO 0.14 -0.44 0.50 -0.62 0.00 0.00 0.00 174.94 174.52 3iyl s ASP 1029N -3.79 -0.26 0.59 3.58 2.15 -0.32 -2.78 116.67 115.84 3iyl s ASP 1029Ca 0.39 -1.05 0.39 0.00 0.43 0.00 0.00 52.55 52.71 3iyl s ASP 1029Cb -0.10 1.31 2.01 0.00 -0.30 0.00 0.00 42.92 45.84 3iyl s ASP 1029CO 0.33 -0.23 2.18 0.71 -0.17 0.00 0.00 175.17 178.00 3iyl h THR 1030N 5.15 0.00 0.00 1.71 1.35 -1.65 -0.65 112.91 118.82 3iyl h THR 1030Ca 0.04 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 3iyl h THR 1030Cb 1.12 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 3iyl h THR 1030CO 0.16 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.78 3iyl n THR 1031N -2.95 0.02 -3.85 6.82 -2.24 -1.25 -4.50 114.28 106.32 3iyl n THR 1031Ca -0.02 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.68 3iyl n THR 1031Cb 0.12 -0.67 -0.07 0.00 -2.10 0.00 0.00 70.33 67.61 3iyl n THR 1031CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3iyl s THR 1032N -2.03 0.14 0.29 4.28 -4.23 -1.08 -5.07 115.64 107.93 3iyl s THR 1032Ca 0.32 -1.12 -0.29 0.00 -1.18 0.00 0.00 61.69 59.42 3iyl s THR 1032Cb 0.15 -1.25 -0.10 0.00 1.34 0.00 0.00 72.50 72.64 3iyl s THR 1032CO 0.25 -0.62 1.22 -2.84 -0.54 0.00 0.00 174.62 172.09 3iyl s PRO 1033N -3.60 4.48 0.69 3.99 0.02 -1.26 -2.50 135.00 136.82 3iyl s PRO 1033Ca 0.03 2.01 -0.11 0.00 0.02 0.00 0.00 61.00 62.95 3iyl s PRO 1033Cb 0.04 -3.14 0.01 0.00 0.02 0.00 0.00 34.50 31.42 3iyl s PRO 1033CO -0.10 -0.03 1.09 -1.25 -0.33 0.00 0.00 177.00 176.38 3iyl s PRO 1034N -1.39 2.98 1.12 5.54 0.04 -1.23 -4.55 135.00 137.52 3iyl s PRO 1034Ca 0.48 0.52 -0.18 0.00 0.04 0.00 0.00 61.00 61.86 3iyl s PRO 1034Cb -0.36 -2.03 0.25 0.00 0.04 0.00 0.00 34.50 32.41 3iyl s PRO 1034CO 0.46 -0.96 1.17 -0.51 0.04 0.00 0.00 177.00 177.19 3iyl s LEU 1035N -5.34 1.30 -0.27 -3.56 1.43 -1.26 -4.80 118.68 106.19 3iyl s LEU 1035Ca 0.58 0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 54.23 3iyl s LEU 1035Cb -0.11 -2.42 0.12 0.00 0.03 0.00 0.00 46.19 43.81 3iyl s LEU 1035CO 0.52 -3.67 0.25 -0.13 0.23 0.00 0.00 176.35 173.55 3iyl s ARG 1036N -5.51 0.26 -0.33 1.70 0.52 -1.25 -4.97 118.95 109.37 3iyl s ARG 1036Ca 0.71 -0.11 -0.11 0.00 -0.52 0.00 0.00 55.73 55.71 3iyl s ARG 1036Cb -0.09 -0.90 -0.00 0.00 0.52 0.00 0.00 34.95 34.49 3iyl s ARG 1036CO 0.55 -0.92 0.19 0.08 0.02 0.00 0.00 175.30 175.22 3iyl s VAL 1037N 2.31 4.80 0.60 3.52 1.01 -1.25 -2.63 120.40 128.74 3iyl s VAL 1037Ca 0.09 -0.47 0.40 0.00 0.00 0.00 0.00 61.98 62.01 3iyl s VAL 1037Cb -0.15 -3.50 0.42 0.00 0.00 0.00 0.00 36.38 33.15 3iyl s VAL 1037CO -0.28 -0.03 2.31 0.78 0.00 0.00 0.00 175.10 177.89 3iyl h ASN 1038N 8.42 0.00 0.54 3.32 2.35 -1.21 -2.72 115.58 126.27 3iyl h ASN 1038Ca -0.30 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.33 3iyl h ASN 1038Cb 1.14 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.49 3iyl h ASN 1038CO 0.64 0.01 -1.55 -0.81 -1.65 0.00 0.00 177.43 174.06 3iyl n PRO 1039N -3.25 0.63 0.00 0.81 -0.04 -1.26 -4.93 135.00 126.97 3iyl n PRO 1039Ca -0.03 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 3iyl n PRO 1039Cb 0.10 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 3iyl n PRO 1039CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3iyl n VAL 1040N -2.68 0.00 -1.31 0.52 0.31 -1.03 -4.08 118.33 110.06 3iyl n VAL 1040Ca -0.09 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.01 3iyl n VAL 1040Cb 0.75 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.58 3iyl n VAL 1040CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3iyl n PRO 1041N 0.00 2.66 -0.41 5.55 -0.02 -1.26 -4.93 135.00 136.60 3iyl n PRO 1041Ca 0.00 -1.87 -0.18 0.00 -2.02 0.00 0.00 63.50 59.43 3iyl n PRO 1041Cb 0.00 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.22 3iyl n PRO 1041CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3iyl n THR 1042N 2.05 0.00 -3.43 3.45 -2.24 -1.26 -4.81 114.28 108.05 3iyl n THR 1042Ca 0.52 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.92 3iyl n THR 1042Cb 0.63 -0.14 -0.06 0.00 -2.10 0.00 0.00 70.33 68.66 3iyl n THR 1042CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3iyl s PRO 1043N 1.24 4.02 0.27 -0.78 0.02 -1.26 -1.97 135.00 136.54 3iyl s PRO 1043Ca 0.31 0.49 -0.31 0.00 0.02 0.00 0.00 61.00 61.51 3iyl s PRO 1043Cb -0.41 -3.25 -0.12 0.00 0.02 0.00 0.00 34.50 30.74 3iyl s PRO 1043CO 0.20 0.62 1.62 -0.11 -0.33 0.00 0.00 177.00 179.00 3iyl n LEU 1044N 1.99 4.19 0.00 -5.54 7.94 -1.20 -2.69 117.00 121.69 3iyl n LEU 1044Ca -0.12 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.90 3iyl n LEU 1044Cb 0.52 -1.58 0.00 0.00 0.53 0.00 0.00 43.42 42.89 3iyl n LEU 1044CO 0.39 0.12 0.00 0.59 -1.11 0.00 0.00 177.39 177.38 3iyl n ASN 1045N 2.60 -2.64 -4.26 1.96 3.02 -0.29 -4.92 115.26 110.73 3iyl n ASN 1045Ca 0.11 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.34 3iyl n ASN 1045Cb 0.36 -0.44 -0.16 0.00 -0.61 0.00 0.00 39.78 38.92 3iyl n ASN 1045CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3iyl s GLN 1046N -1.12 2.52 0.10 3.52 -0.21 -1.10 -4.95 119.66 118.43 3iyl s GLN 1046Ca 0.00 -0.88 -0.31 0.00 0.02 0.00 0.00 55.36 54.19 3iyl s GLN 1046Cb 0.00 -2.13 -0.08 0.00 1.00 0.00 0.00 33.01 31.80 3iyl s GLN 1046CO 0.00 0.36 1.55 -1.14 -2.12 0.00 0.00 175.29 173.94 3iyl s GLN 1047N -0.13 4.24 0.20 2.91 0.74 -1.26 -4.38 119.66 121.98 3iyl s GLN 1047Ca -0.04 2.25 0.11 0.00 0.05 0.00 0.00 55.36 57.72 3iyl s GLN 1047Cb -0.14 -3.38 -0.04 0.00 1.10 0.00 0.00 33.01 30.54 3iyl s GLN 1047CO 0.04 -0.62 -0.21 0.00 -0.55 0.00 0.00 175.29 173.95 3iyl s ALA 1049N -1.97 3.23 -0.03 0.00 0.00 -1.26 -2.13 121.76 119.59 3iyl s ALA 1049Ca 0.21 -1.09 0.07 0.00 0.00 0.00 0.00 51.96 51.15 3iyl s ALA 1049Cb -0.07 -2.11 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 3iyl s ALA 1049CO 0.10 -0.43 -0.24 0.42 0.00 0.00 0.00 175.76 175.61 3iyl s ILE 1050N 1.51 2.19 -0.18 0.00 1.01 -0.97 -0.59 121.20 124.18 3iyl s ILE 1050Ca 0.06 -1.05 -0.04 0.00 0.00 0.00 0.00 60.65 59.63 3iyl s ILE 1050Cb -0.15 -1.78 0.06 0.00 0.01 0.00 0.00 42.46 40.60 3iyl s ILE 1050CO 0.04 0.58 0.05 -0.13 0.00 0.00 0.00 174.94 175.49 3iyl s ARG 1051N -0.51 0.43 -0.32 2.79 0.52 -1.08 -0.15 118.95 120.62 3iyl s ARG 1051Ca 0.07 -0.26 -0.17 0.00 -0.52 0.00 0.00 55.73 54.85 3iyl s ARG 1051Cb -0.11 -1.93 -0.02 0.00 0.52 0.00 0.00 34.95 33.41 3iyl s ARG 1051CO 0.00 -0.63 0.46 0.42 0.02 0.00 0.00 175.30 175.57 3iyl s ILE 1052N 1.97 5.08 -1.18 1.52 1.01 -1.18 -3.84 121.20 124.57 3iyl s ILE 1052Ca 0.00 0.44 -0.16 0.00 0.00 0.00 0.00 60.65 60.93 3iyl s ILE 1052Cb -0.16 -3.86 0.14 0.00 0.01 0.00 0.00 42.46 38.58 3iyl s ILE 1052CO -0.08 -0.06 1.47 0.42 0.00 0.00 0.00 174.94 176.68 3iyl s THR 1053N 2.25 4.73 -0.17 2.92 -4.23 -1.26 -1.78 115.64 118.10 3iyl s THR 1053Ca 0.17 -2.24 -0.03 0.00 -1.18 0.00 0.00 61.69 58.41 3iyl s THR 1053Cb -0.16 -4.97 -0.02 0.00 1.34 0.00 0.00 72.50 68.70 3iyl s THR 1053CO 0.12 -1.72 -0.07 -0.55 -0.54 0.00 0.00 174.62 171.86 3iyl s SER 1054N 3.36 4.35 0.42 3.99 0.15 -1.00 -4.91 113.70 120.07 3iyl s SER 1054Ca 0.44 -0.29 0.14 0.00 0.70 0.00 0.00 55.95 56.94 3iyl s SER 1054Cb -0.01 -1.71 1.01 0.00 -1.71 0.00 0.00 66.02 63.60 3iyl s SER 1054CO 0.00 0.10 1.95 0.17 1.20 0.00 0.00 173.24 176.67 3iyl h LEU 1055N 7.20 0.40 -9.03 3.45 -0.00 -1.94 -3.40 115.31 112.00 3iyl h LEU 1055Ca -0.33 0.01 -0.62 0.00 -0.00 0.00 0.00 57.88 56.95 3iyl h LEU 1055Cb 1.19 -0.07 -0.13 0.00 -0.00 0.00 0.00 40.66 41.65 3iyl h LEU 1055CO 0.59 0.23 -0.19 1.51 -0.00 0.00 0.00 178.44 180.59 3iyl s ASP 1056N -6.12 6.35 0.50 0.17 -4.77 -1.26 -4.94 116.67 106.60 3iyl s ASP 1056Ca -0.08 0.41 0.29 0.00 -3.30 0.00 0.00 52.55 49.88 3iyl s ASP 1056Cb 0.20 -2.23 1.19 0.00 -1.09 0.00 0.00 42.92 41.00 3iyl s ASP 1056CO 0.76 -0.16 1.93 -0.65 0.70 0.00 0.00 175.17 177.75 3iyl h PRO 1057N 7.82 0.00 -2.32 2.11 0.11 -1.95 -3.30 132.00 134.46 3iyl h PRO 1057Ca -0.33 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.41 3iyl h PRO 1057Cb 1.16 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 3iyl h PRO 1057CO 0.68 0.11 1.04 0.00 -0.21 0.00 0.00 178.00 179.62 3iyl n ALA 1058N -2.17 6.77 -2.40 -0.75 0.00 -1.26 -4.84 120.51 115.86 3iyl n ALA 1058Ca 0.00 -2.47 -0.21 0.00 0.00 0.00 0.00 53.44 50.76 3iyl n ALA 1058Cb 0.35 -2.65 -0.10 0.00 0.00 0.00 0.00 19.45 17.05 3iyl n ALA 1058CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iyl s ALA 1059N 1.17 2.28 -0.28 0.00 0.00 -1.25 -4.00 121.76 119.68 3iyl s ALA 1059Ca 0.67 -1.79 -0.04 0.00 0.00 0.00 0.00 51.96 50.80 3iyl s ALA 1059Cb 0.28 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.40 3iyl s ALA 1059CO -0.03 0.06 0.02 0.08 0.00 0.00 0.00 175.76 175.89 3iyl s VAL 1060N -2.89 3.41 -0.08 0.00 1.01 0.58 -4.54 120.40 117.88 3iyl s VAL 1060Ca 0.26 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 3iyl s VAL 1060Cb 0.00 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 3iyl s VAL 1060CO 0.10 0.07 1.01 -0.22 0.00 0.00 0.00 175.10 176.06 3iyl s LEU 1061N 1.39 4.28 -0.44 3.92 1.98 -1.26 -1.77 118.68 126.79 3iyl s LEU 1061Ca 0.00 1.58 0.05 0.00 -2.89 0.00 0.00 54.13 52.87 3iyl s LEU 1061Cb -0.18 -3.56 0.18 0.00 0.66 0.00 0.00 46.19 43.30 3iyl s LEU 1061CO -0.01 -0.41 0.46 -1.54 -1.89 0.00 0.00 176.35 172.96 3iyl n SER 1062N 4.73 -1.18 -4.68 3.68 3.41 0.13 -0.55 113.62 119.17 3iyl n SER 1062Ca 0.08 -2.55 -0.42 0.00 -0.26 0.00 0.00 58.87 55.72 3iyl n SER 1062Cb 0.49 0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.44 3iyl n SER 1062CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3iyl s VAL 1063N 0.16 4.06 -0.07 -3.33 1.01 0.34 -3.18 120.40 119.39 3iyl s VAL 1063Ca 0.32 1.40 0.03 0.00 0.00 0.00 0.00 61.98 63.73 3iyl s VAL 1063Cb 0.05 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.53 3iyl s VAL 1063CO -0.16 -0.02 -0.16 0.00 0.00 0.00 0.00 175.10 174.76 3iyl s GLN 1064N 2.42 2.08 -0.10 2.72 1.03 -1.12 -1.74 119.66 124.96 3iyl s GLN 1064Ca 0.59 -0.57 0.03 0.00 0.04 0.00 0.00 55.36 55.44 3iyl s GLN 1064Cb -0.27 -1.67 0.01 0.00 0.03 0.00 0.00 33.01 31.11 3iyl s GLN 1064CO 0.23 0.10 -0.20 -1.58 -2.54 0.00 0.00 175.29 171.30 3iyl s HIS 1065N 0.48 2.30 0.00 9.60 5.65 -0.60 -1.97 115.29 130.75 3iyl s HIS 1065Ca -0.14 -1.01 0.00 0.00 0.25 0.00 0.00 55.06 54.16 3iyl s HIS 1065Cb -0.16 -1.58 0.00 0.00 -1.18 0.00 0.00 32.58 29.67 3iyl s HIS 1065CO 0.05 -0.45 0.00 0.09 -0.65 0.00 0.00 174.74 173.78 3iyl n ASN 1066N 3.81 -2.17 0.00 9.88 5.03 -1.26 -3.52 115.26 127.04 3iyl n ASN 1066Ca -0.20 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.25 3iyl n ASN 1066Cb 0.52 -0.36 0.00 0.00 -1.02 0.00 0.00 39.78 38.92 3iyl n ASN 1066CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3iyl n GLY 1067N -2.72 0.61 3.00 7.41 0.00 -1.26 -4.07 105.19 108.16 3iyl n GLY 1067Ca 0.00 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 3iyl n GLY 1067CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iyl s VAL 1068N -2.00 0.96 0.42 1.61 1.01 -1.23 -5.00 120.40 116.18 3iyl s VAL 1068Ca 0.00 -0.40 -0.23 0.00 0.00 0.00 0.00 61.98 61.35 3iyl s VAL 1068Cb 0.00 -0.89 -0.09 0.00 0.00 0.00 0.00 36.38 35.41 3iyl s VAL 1068CO 0.00 0.31 1.08 -1.83 0.00 0.00 0.00 175.10 174.66 3iyl s GLU 1069N 0.57 4.03 0.00 2.72 -1.05 -1.26 -1.56 118.70 122.15 3iyl s GLU 1069Ca -0.11 1.57 0.00 0.00 -0.15 0.00 0.00 54.97 56.27 3iyl s GLU 1069Cb -0.14 -2.47 0.00 0.00 -0.44 0.00 0.00 34.13 31.08 3iyl s GLU 1069CO 0.02 -0.27 0.00 0.28 0.95 0.00 0.00 175.26 176.24 3iyl n VAL 1070N -0.26 0.00 -3.79 1.83 0.31 -0.71 -4.86 118.33 110.85 3iyl n VAL 1070Ca 0.06 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.11 3iyl n VAL 1070Cb 0.49 -0.39 -0.16 0.00 -0.91 0.00 0.00 33.84 32.87 3iyl n VAL 1070CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3iyl s ILE 1071N -1.54 0.73 -0.03 2.52 1.01 -0.73 -1.25 121.20 121.91 3iyl s ILE 1071Ca 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 60.65 60.02 3iyl s ILE 1071Cb 0.00 -1.14 0.02 0.00 0.01 0.00 0.00 42.46 41.35 3iyl s ILE 1071CO 0.00 -0.12 0.07 -0.83 0.00 0.00 0.00 174.94 174.06 3iyl s GLY 1072N 1.77 -0.01 0.00 6.18 0.00 -0.81 -0.50 107.32 113.95 3iyl s GLY 1072Ca -0.01 0.31 0.00 0.00 0.00 0.00 0.00 44.72 45.02 3iyl s GLY 1072CO -0.07 0.46 0.00 0.61 0.00 0.00 0.00 173.10 174.09 3iyl n GLY 1073N 3.55 4.35 3.48 0.20 0.00 0.29 -2.09 105.19 114.97 3iyl n GLY 1073Ca -0.19 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 3iyl n GLY 1073CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3iyl n THR 1074N -0.98 0.83 -0.21 2.61 -1.04 -1.19 -4.06 114.28 110.24 3iyl n THR 1074Ca 0.00 -0.25 -0.05 0.00 -2.04 0.00 0.00 64.05 61.70 3iyl n THR 1074Cb 0.00 -0.75 -0.05 0.00 -1.82 0.00 0.00 70.33 67.71 3iyl n THR 1074CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3iyl n PRO 1075N -1.68 -0.22 -0.01 -2.82 -0.04 -1.26 -2.26 135.00 126.72 3iyl n PRO 1075Ca 0.09 0.79 -0.00 0.00 -0.04 0.00 0.00 63.50 64.33 3iyl n PRO 1075Cb 0.52 -1.16 -0.00 0.00 -0.04 0.00 0.00 33.50 32.82 3iyl n PRO 1075CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3iyl h GLY 1076N 0.00 -2.51 -5.91 0.55 0.00 -1.88 -3.40 103.07 89.91 3iyl h GLY 1076Ca 0.08 1.09 -0.64 0.00 0.00 0.00 0.00 47.33 47.86 3iyl h GLY 1076CO -0.47 -0.95 -0.66 -1.31 0.00 0.00 0.00 176.54 173.16 3iyl s ASN 1077N -2.99 4.86 -0.15 0.19 0.01 -0.96 -4.95 114.94 110.97 3iyl s ASN 1077Ca -0.00 -0.12 -0.03 0.00 -0.71 0.00 0.00 52.86 52.01 3iyl s ASN 1077Cb 0.00 -1.80 0.05 0.00 0.41 0.00 0.00 41.25 39.91 3iyl s ASN 1077CO 0.02 0.16 0.03 -0.69 -1.51 0.00 0.00 177.10 175.11 3iyl s VAL 1078N 0.39 0.38 -0.30 1.60 1.01 -1.26 -3.19 120.40 119.04 3iyl s VAL 1078Ca -0.03 -0.25 -0.26 0.00 0.00 0.00 0.00 61.98 61.44 3iyl s VAL 1078Cb -0.14 -0.78 0.01 0.00 0.00 0.00 0.00 36.38 35.46 3iyl s VAL 1078CO 0.03 -0.05 0.91 -0.63 0.00 0.00 0.00 175.10 175.36 3iyl s ILE 1079N 1.94 4.69 -0.14 2.22 1.01 -0.89 -4.86 121.20 125.17 3iyl s ILE 1079Ca 0.02 1.48 0.01 0.00 0.00 0.00 0.00 60.65 62.15 3iyl s ILE 1079Cb -0.15 -4.25 0.02 0.00 0.01 0.00 0.00 42.46 38.09 3iyl s ILE 1079CO -0.07 -0.30 -0.14 -0.94 0.00 0.00 0.00 174.94 173.49 3iyl s SER 1080N 1.56 2.63 0.00 3.58 1.04 -1.26 -1.92 113.70 119.33 3iyl s SER 1080Ca 0.38 -0.47 0.17 0.00 0.48 0.00 0.00 55.95 56.51 3iyl s SER 1080Cb -0.14 -1.15 0.11 0.00 0.10 0.00 0.00 66.02 64.94 3iyl s SER 1080CO 0.12 -0.04 1.02 0.52 0.98 0.00 0.00 173.24 175.83 3iyl n VAL 1081N 4.67 0.00 1.00 5.02 0.31 -0.38 -4.19 118.33 124.76 3iyl n VAL 1081Ca -0.17 -0.47 0.11 0.00 -0.01 0.00 0.00 64.34 63.80 3iyl n VAL 1081Cb 0.50 1.33 -0.03 0.00 -0.91 0.00 0.00 33.84 34.73 3iyl n VAL 1081CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3iyl n ALA 1082N 0.79 3.86 0.00 3.52 0.00 -1.26 -4.82 120.51 122.60 3iyl n ALA 1082Ca 0.10 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.90 3iyl n ALA 1082Cb 0.42 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.08 3iyl n ALA 1082CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iyl n GLY 1083N 1.44 0.98 3.59 0.00 0.00 -1.26 -0.84 105.19 109.10 3iyl n GLY 1083Ca 0.08 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 3iyl n GLY 1083CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iyl s ALA 1084N -1.01 2.59 -0.30 4.61 0.00 -1.14 -4.65 121.76 121.87 3iyl s ALA 1084Ca 0.00 0.24 -0.00 0.00 0.00 0.00 0.00 51.96 52.19 3iyl s ALA 1084Cb 0.00 -4.11 0.06 0.00 0.00 0.00 0.00 23.12 19.07 3iyl s ALA 1084CO 0.00 -3.06 -0.02 0.00 0.00 0.00 0.00 175.76 172.68 3iyl s ALA 1085N 8.17 2.76 -0.57 0.00 0.00 -1.26 -1.98 121.76 128.88 3iyl s ALA 1085Ca 0.85 -1.83 -0.08 0.00 0.00 0.00 0.00 51.96 50.90 3iyl s ALA 1085Cb -0.23 -1.86 0.15 0.00 0.00 0.00 0.00 23.12 21.18 3iyl s ALA 1085CO 0.31 -1.29 0.44 0.00 0.00 0.00 0.00 175.76 175.22 3iyl s ALA 1086N 1.19 3.56 -0.12 0.00 0.00 -0.21 -4.75 121.76 121.43 3iyl s ALA 1086Ca -0.05 -2.88 -0.15 0.00 0.00 0.00 0.00 51.96 48.88 3iyl s ALA 1086Cb -0.20 -2.89 -0.05 0.00 0.00 0.00 0.00 23.12 19.98 3iyl s ALA 1086CO -0.03 -2.02 0.37 -1.17 0.00 0.00 0.00 175.76 172.91 3iyl s LEU 1087N 0.75 4.30 -0.23 0.00 1.98 -1.26 -1.76 118.68 122.46 3iyl s LEU 1087Ca 0.11 0.69 -0.04 0.00 -2.89 0.00 0.00 54.13 51.99 3iyl s LEU 1087Cb -0.22 -2.51 0.12 0.00 0.66 0.00 0.00 46.19 44.25 3iyl s LEU 1087CO -0.03 0.12 0.41 0.00 -1.89 0.00 0.00 176.35 174.95 3iyl s GLN 1088N 0.20 0.35 -0.23 1.98 -2.07 -1.16 -4.25 119.66 114.48 3iyl s GLN 1088Ca 0.21 0.78 -0.29 0.00 -1.82 0.00 0.00 55.36 54.25 3iyl s GLN 1088Cb -0.14 -0.06 -0.04 0.00 -1.09 0.00 0.00 33.01 31.68 3iyl s GLN 1088CO 0.08 -0.47 1.91 -0.47 -1.32 0.00 0.00 175.29 175.01 3iyl s TYR 1089N 2.59 1.62 -0.19 9.60 5.04 -1.26 -2.43 117.35 132.32 3iyl s TYR 1089Ca 0.07 0.47 -0.25 0.00 -2.44 0.00 0.00 57.07 54.92 3iyl s TYR 1089Cb -0.14 -4.05 -0.01 0.00 0.35 0.00 0.00 41.96 38.11 3iyl s TYR 1089CO -0.15 -3.58 0.82 0.42 -1.34 0.00 0.00 175.55 171.73 3iyl s ILE 1090N 6.69 4.87 0.09 3.14 1.01 -1.12 -4.93 121.20 130.94 3iyl s ILE 1090Ca 0.85 1.59 -0.20 0.00 0.00 0.00 0.00 60.65 62.89 3iyl s ILE 1090Cb -0.28 -4.12 -0.09 0.00 0.01 0.00 0.00 42.46 37.98 3iyl s ILE 1090CO 0.34 0.00 1.60 0.25 0.00 0.00 0.00 174.94 177.13 3iyl h LEU 1091N 8.57 0.30 -0.03 2.97 7.12 -1.93 -1.53 115.31 130.77 3iyl h LEU 1091Ca -0.28 -0.20 0.00 0.00 0.13 0.00 0.00 57.88 57.54 3iyl h LEU 1091Cb 1.12 -0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 41.17 3iyl h LEU 1091CO 0.84 0.42 -0.03 0.00 -0.13 0.00 0.00 178.44 179.55 3iyl h ALA 1092N 0.89 -0.19 0.00 1.25 0.00 -1.97 -2.27 119.26 116.98 3iyl h ALA 1092Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3iyl h ALA 1092Cb 0.23 0.85 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3iyl h ALA 1092CO -0.00 -0.20 -0.29 -0.91 0.00 0.00 0.00 179.25 177.85 3iyl h ASN 1093N -0.01 0.00 -0.76 0.00 2.35 -2.01 -3.47 115.58 111.69 3iyl h ASN 1093Ca 0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 3iyl h ASN 1093Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3iyl h ASN 1093CO -0.03 0.29 -0.08 0.00 -1.65 0.00 0.00 177.43 175.96 3iyl n GLN 1094N -3.35 -0.47 -4.00 0.81 6.02 -0.59 -4.96 117.38 110.83 3iyl n GLN 1094Ca 0.01 0.13 -0.17 0.00 -0.01 0.00 0.00 57.00 56.96 3iyl n GLN 1094Cb 0.51 -3.56 -0.16 0.00 1.02 0.00 0.00 30.24 28.05 3iyl n GLN 1094CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3iyl s GLU 1095N -4.43 0.40 -0.31 -1.09 -1.05 -1.12 -2.38 118.70 108.72 3iyl s GLU 1095Ca 0.02 0.00 -0.28 0.00 -0.15 0.00 0.00 54.97 54.56 3iyl s GLU 1095Cb -0.01 -0.51 -0.02 0.00 -0.44 0.00 0.00 34.13 33.15 3iyl s GLU 1095CO 0.03 -0.08 1.82 -0.06 0.95 0.00 0.00 175.26 177.92 3iyl s PHE 1096N 0.79 1.77 -0.38 4.83 2.99 -0.73 -2.80 117.98 124.44 3iyl s PHE 1096Ca -0.08 0.61 -0.26 0.00 0.00 0.00 0.00 56.93 57.19 3iyl s PHE 1096Cb -0.12 -4.11 0.02 0.00 0.00 0.00 0.00 43.02 38.81 3iyl s PHE 1096CO -0.01 -3.05 0.94 -1.17 -0.00 0.00 0.00 175.22 171.92 3iyl s LEU 1097N 6.92 3.98 -0.43 -0.37 2.96 -1.02 -3.10 118.68 127.62 3iyl s LEU 1097Ca 0.81 0.57 -0.16 0.00 -0.22 0.00 0.00 54.13 55.13 3iyl s LEU 1097Cb -0.23 -3.28 0.03 0.00 0.50 0.00 0.00 46.19 43.21 3iyl s LEU 1097CO 0.34 -0.88 0.40 -0.22 -1.32 0.00 0.00 176.35 174.67 3iyl s LEU 1098N 3.53 5.08 -0.91 -0.68 2.96 0.78 -2.96 118.68 126.47 3iyl s LEU 1098Ca 0.39 -0.87 -0.21 0.00 -0.22 0.00 0.00 54.13 53.22 3iyl s LEU 1098Cb -0.12 -2.29 0.10 0.00 0.50 0.00 0.00 46.19 44.38 3iyl s LEU 1098CO 0.19 -0.58 1.20 -1.10 -1.32 0.00 0.00 176.35 174.75 3iyl s GLN 1099N 1.95 3.52 -0.07 1.98 -1.52 -0.72 -2.28 119.66 122.52 3iyl s GLN 1099Ca 0.09 -1.41 0.04 0.00 -1.95 0.00 0.00 55.36 52.13 3iyl s GLN 1099Cb -0.19 -4.93 -0.02 0.00 -0.22 0.00 0.00 33.01 27.65 3iyl s GLN 1099CO 0.11 -1.92 -0.19 0.12 -0.25 0.00 0.00 175.29 173.17 3iyl s PHE 1100N 3.62 2.61 -0.22 0.91 5.36 -0.90 -1.05 117.98 128.30 3iyl s PHE 1100Ca 0.35 -0.53 0.01 0.00 -0.96 0.00 0.00 56.93 55.80 3iyl s PHE 1100Cb -0.05 -1.67 0.05 0.00 -0.34 0.00 0.00 43.02 41.02 3iyl s PHE 1100CO -0.06 -0.09 -0.06 -0.08 -1.46 0.00 0.00 175.22 173.46 3iyl s THR 1101N -0.22 1.50 0.41 0.12 -1.32 -0.84 -0.03 115.64 115.26 3iyl s THR 1101Ca -0.01 -1.11 -0.12 0.00 -1.21 0.00 0.00 61.69 59.24 3iyl s THR 1101Cb -0.13 -1.72 -0.07 0.00 -1.51 0.00 0.00 72.50 69.07 3iyl s THR 1101CO 0.03 -0.02 0.80 -2.16 -2.21 0.00 0.00 174.62 171.06 3iyl s PRO 1102N 1.43 3.85 0.00 7.08 0.04 -1.26 -2.87 135.00 143.27 3iyl s PRO 1102Ca -0.04 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.59 3iyl s PRO 1102Cb -0.18 -2.35 -0.00 0.00 0.04 0.00 0.00 34.50 32.01 3iyl s PRO 1102CO -0.07 -0.04 0.23 0.25 0.04 0.00 0.00 177.00 177.42 3iyl n THR 1103N -1.16 0.00 -4.28 1.26 -2.24 -0.02 -1.14 114.28 106.69 3iyl n THR 1103Ca 0.03 -0.50 -0.27 0.00 -2.27 0.00 0.00 64.05 61.05 3iyl n THR 1103Cb 0.54 1.00 -0.17 0.00 -2.10 0.00 0.00 70.33 69.60 3iyl n THR 1103CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3iyl s LEU 1104N -1.12 1.53 0.65 3.22 1.43 -1.26 -4.92 118.68 118.20 3iyl s LEU 1104Ca 0.00 -0.35 -0.13 0.00 -1.03 0.00 0.00 54.13 52.62 3iyl s LEU 1104Cb 0.00 -0.94 -0.02 0.00 0.03 0.00 0.00 46.19 45.27 3iyl s LEU 1104CO 0.01 -0.03 1.05 -2.16 0.23 0.00 0.00 176.35 175.45 3iyl s PRO 1105N 1.17 3.17 0.00 1.29 0.04 -1.26 -4.88 135.00 134.52 3iyl s PRO 1105Ca -0.04 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.02 3iyl s PRO 1105Cb -0.14 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.38 3iyl s PRO 1105CO -0.03 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 176.50 3iyl n GLY 1106N -1.68 -0.51 2.74 0.56 0.00 0.11 -4.96 105.19 101.44 3iyl n GLY 1106Ca 0.08 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 3iyl n GLY 1106CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iyl s ILE 1107N -3.21 1.67 -0.31 -0.61 1.01 -1.26 -2.36 121.20 116.13 3iyl s ILE 1107Ca 0.00 -2.90 -0.29 0.00 0.00 0.00 0.00 60.65 57.46 3iyl s ILE 1107Cb 0.00 -2.15 0.01 0.00 0.01 0.00 0.00 42.46 40.33 3iyl s ILE 1107CO 0.00 -0.93 1.16 -0.36 0.00 0.00 0.00 174.94 174.81 3iyl s PHE 1108N -0.00 2.97 -0.71 3.97 0.08 -0.89 -4.59 117.98 118.81 3iyl s PHE 1108Ca 0.20 1.06 -0.21 0.00 0.12 0.00 0.00 56.93 58.10 3iyl s PHE 1108Cb -0.19 -3.78 0.09 0.00 -0.57 0.00 0.00 43.02 38.57 3iyl s PHE 1108CO -0.04 -1.15 0.95 0.34 -0.10 0.00 0.00 175.22 175.23 3iyl s ASP 1109N 2.07 6.28 0.15 1.36 -1.08 -0.83 -2.79 116.67 121.82 3iyl s ASP 1109Ca 0.50 -1.32 -0.31 0.00 -0.52 0.00 0.00 52.55 50.89 3iyl s ASP 1109Cb -0.14 -2.39 -0.11 0.00 -1.46 0.00 0.00 42.92 38.83 3iyl s ASP 1109CO 0.18 -1.29 1.72 -0.69 0.52 0.00 0.00 175.17 175.62 3iyl s VAL 1110N 3.47 2.45 -0.18 1.11 1.01 -0.68 -2.78 120.40 124.81 3iyl s VAL 1110Ca 0.22 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.38 3iyl s VAL 1110Cb -0.16 -3.11 0.02 0.00 0.00 0.00 0.00 36.38 33.14 3iyl s VAL 1110CO 0.05 0.01 -0.18 -0.36 0.00 0.00 0.00 175.10 174.61 3iyl s PHE 1111N 1.92 2.71 -0.37 5.22 0.08 -1.19 -1.66 117.98 124.70 3iyl s PHE 1111Ca 0.76 -1.63 -0.02 0.00 0.12 0.00 0.00 56.93 56.16 3iyl s PHE 1111Cb -0.46 -1.86 0.09 0.00 -0.57 0.00 0.00 43.02 40.21 3iyl s PHE 1111CO 0.33 -0.79 0.12 -1.17 -0.10 0.00 0.00 175.22 173.62 3iyl s LEU 1112N 1.31 4.75 -0.16 -0.37 2.96 -0.61 0.22 118.68 126.78 3iyl s LEU 1112Ca 0.04 -1.76 -0.06 0.00 -0.22 0.00 0.00 54.13 52.13 3iyl s LEU 1112Cb -0.14 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 3iyl s LEU 1112CO -0.12 -0.43 0.05 0.28 -1.32 0.00 0.00 176.35 174.81 3iyl s THR 1113N 1.17 4.73 0.48 3.68 -1.32 -0.73 -3.17 115.64 120.48 3iyl s THR 1113Ca 0.04 -0.07 -0.15 0.00 -1.21 0.00 0.00 61.69 60.30 3iyl s THR 1113Cb -0.21 -3.09 -0.08 0.00 -1.51 0.00 0.00 72.50 67.61 3iyl s THR 1113CO -0.03 0.51 0.93 -0.89 -2.21 0.00 0.00 174.62 172.93 3iyl s THR 1114N -0.02 4.59 0.30 5.08 2.01 -1.26 -0.31 115.64 126.03 3iyl s THR 1114Ca 0.06 1.08 0.06 0.00 0.31 0.00 0.00 61.69 63.21 3iyl s THR 1114Cb -0.12 -3.72 0.31 0.00 0.01 0.00 0.00 72.50 68.98 3iyl s THR 1114CO 0.01 -0.62 1.68 0.25 -0.69 0.00 0.00 174.62 175.25 3iyl h LEU 1115N 1.06 0.34 -8.91 4.42 5.85 -1.95 -3.38 115.31 112.74 3iyl h LEU 1115Ca -0.47 0.17 -0.67 0.00 0.84 0.00 0.00 57.88 57.75 3iyl h LEU 1115Cb 1.18 0.15 -0.22 0.00 0.37 0.00 0.00 40.66 42.15 3iyl h LEU 1115CO 0.62 -0.05 -0.72 -0.83 -0.34 0.00 0.00 178.44 177.12 3iyl s GLY 1116N -3.94 1.63 0.00 3.75 0.00 -1.26 -5.03 107.32 102.47 3iyl s GLY 1116Ca -0.11 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.71 3iyl s GLY 1116CO 0.78 -0.47 0.00 0.61 0.00 0.00 0.00 173.10 174.02 3iyl n GLN 1117N 2.76 0.00 -1.29 2.90 -0.00 -1.26 -5.03 117.38 115.46 3iyl n GLN 1117Ca -0.18 0.00 -0.34 0.00 -0.00 0.00 0.00 57.00 56.48 3iyl n GLN 1117Cb 0.53 0.00 0.11 0.00 -0.00 0.00 0.00 30.24 30.87 3iyl n GLN 1117CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.06 174.92 3iyl s PRO 1118N -2.80 1.91 0.23 2.61 0.02 -1.26 -4.66 135.00 131.05 3iyl s PRO 1118Ca 0.00 1.75 -0.30 0.00 0.02 0.00 0.00 61.00 62.47 3iyl s PRO 1118Cb 0.00 -1.81 -0.10 0.00 0.02 0.00 0.00 34.50 32.62 3iyl s PRO 1118CO 0.00 -2.01 1.43 -1.25 -0.33 0.00 0.00 177.00 174.84 3iyl s PRO 1119N -4.03 4.28 -0.17 5.54 0.04 -1.26 -4.62 135.00 134.78 3iyl s PRO 1119Ca 0.74 2.26 -0.03 0.00 0.04 0.00 0.00 61.00 64.01 3iyl s PRO 1119Cb -0.29 -3.13 -0.02 0.00 0.04 0.00 0.00 34.50 31.10 3iyl s PRO 1119CO 0.48 -0.41 -0.05 0.08 0.04 0.00 0.00 177.00 177.13 3iyl s VAL 1120N 0.17 3.59 0.21 -0.36 1.01 -1.19 -4.96 120.40 118.88 3iyl s VAL 1120Ca 0.60 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 3iyl s VAL 1120Cb -0.41 -2.58 -0.09 0.00 0.00 0.00 0.00 36.38 33.30 3iyl s VAL 1120CO 0.41 0.47 1.26 -2.16 0.00 0.00 0.00 175.10 175.08 3iyl s PRO 1121N 0.71 4.43 -0.27 2.72 0.04 -1.26 -1.57 135.00 139.80 3iyl s PRO 1121Ca -0.03 2.00 0.11 0.00 0.04 0.00 0.00 61.00 63.12 3iyl s PRO 1121Cb -0.15 -3.20 0.47 0.00 0.04 0.00 0.00 34.50 31.66 3iyl s PRO 1121CO 0.02 -0.17 1.18 0.54 0.04 0.00 0.00 177.00 178.61 3iyl n ARG 1122N 2.36 2.98 0.00 4.56 5.12 -0.66 -4.90 116.66 126.11 3iyl n ARG 1122Ca 0.05 -3.91 0.00 0.00 -1.93 0.00 0.00 57.85 52.05 3iyl n ARG 1122Cb 0.43 -2.04 0.00 0.00 -1.16 0.00 0.00 32.46 29.70 3iyl n ARG 1122CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3iyl n GLY 1123N -0.69 1.31 3.07 -0.13 0.00 -1.26 -4.24 105.19 103.25 3iyl n GLY 1123Ca 0.34 -2.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.17 3iyl n GLY 1123CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iyl s SER 1124N 0.00 0.20 0.31 1.61 0.15 -0.50 -1.68 113.70 113.78 3iyl s SER 1124Ca 0.00 0.65 0.03 0.00 0.70 0.00 0.00 55.95 57.32 3iyl s SER 1124Cb 0.00 0.94 -0.03 0.00 -1.71 0.00 0.00 66.02 65.22 3iyl s SER 1124CO 0.00 -0.25 0.47 0.72 1.20 0.00 0.00 173.24 175.39 3iyl s PHE 1125N 2.49 3.43 -0.22 3.44 -0.71 -1.12 -4.59 117.98 120.71 3iyl s PHE 1125Ca 0.02 0.15 -0.03 0.00 -1.04 0.00 0.00 56.93 56.02 3iyl s PHE 1125Cb -0.13 -1.80 0.07 0.00 -1.21 0.00 0.00 43.02 39.96 3iyl s PHE 1125CO -0.11 0.21 0.06 0.95 -1.34 0.00 0.00 175.22 174.99 3iyl s THR 1126N -2.19 0.46 -0.26 -4.49 -4.23 -1.26 -2.10 115.64 101.57 3iyl s THR 1126Ca 0.38 -0.67 -0.29 0.00 -1.18 0.00 0.00 61.69 59.94 3iyl s THR 1126Cb -0.09 -1.08 -0.02 0.00 1.34 0.00 0.00 72.50 72.65 3iyl s THR 1126CO 0.33 -0.34 1.55 -0.63 -0.54 0.00 0.00 174.62 174.99 3iyl s ILE 1127N 1.87 3.79 0.13 2.99 -1.09 -0.99 -4.62 121.20 123.28 3iyl s ILE 1127Ca 0.02 0.88 -0.24 0.00 -2.23 0.00 0.00 60.65 59.07 3iyl s ILE 1127Cb -0.17 -3.83 -0.07 0.00 -1.58 0.00 0.00 42.46 36.81 3iyl s ILE 1127CO -0.13 -0.37 0.75 0.42 -1.23 0.00 0.00 174.94 174.37 3iyl s THR 1128N 5.14 4.47 0.55 2.92 -4.23 -0.83 0.06 115.64 123.73 3iyl s THR 1128Ca 0.68 1.63 -0.19 0.00 -1.18 0.00 0.00 61.69 62.63 3iyl s THR 1128Cb -0.22 -4.10 -0.08 0.00 1.34 0.00 0.00 72.50 69.43 3iyl s THR 1128CO 0.28 0.50 0.66 -2.65 -0.54 0.00 0.00 174.62 172.87 3iyl n PRO 1129N 1.81 0.66 -1.34 3.99 -0.02 -1.26 -3.23 135.00 135.61 3iyl n PRO 1129Ca -0.06 0.25 -0.33 0.00 -2.02 0.00 0.00 63.50 61.34 3iyl n PRO 1129Cb 0.49 -1.81 0.10 0.00 -0.02 0.00 0.00 33.50 32.26 3iyl n PRO 1129CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3iyl s PRO 1130N -2.18 2.05 -0.74 0.52 0.04 -1.26 -4.81 135.00 128.62 3iyl s PRO 1130Ca 0.69 1.62 -0.25 0.00 0.04 0.00 0.00 61.00 63.10 3iyl s PRO 1130Cb -0.46 -1.84 -0.15 0.00 0.04 0.00 0.00 34.50 32.09 3iyl s PRO 1130CO 0.53 -1.87 2.46 -0.35 0.04 0.00 0.00 177.00 177.81 3iyl n PRO 1131N -3.00 0.56 -1.94 0.56 -0.04 -1.26 -4.89 135.00 124.98 3iyl n PRO 1131Ca 0.12 -0.16 -0.42 0.00 -0.04 0.00 0.00 63.50 62.99 3iyl n PRO 1131Cb 0.51 -2.71 -0.03 0.00 -0.04 0.00 0.00 33.50 31.23 3iyl n PRO 1131CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3iyl s THR 1132N 10.53 3.40 0.13 0.52 -1.32 -1.26 -4.75 115.64 122.90 3iyl s THR 1132Ca 1.11 0.40 -0.24 0.00 -1.21 0.00 0.00 61.69 61.75 3iyl s THR 1132Cb -0.53 -3.57 0.07 0.00 -1.51 0.00 0.00 72.50 66.97 3iyl s THR 1132CO 0.32 -0.38 0.63 0.28 -2.21 0.00 0.00 174.62 173.26 3iyl s THR 1133N 7.33 0.00 -0.13 5.08 -1.32 -1.26 -5.07 115.64 120.27 3iyl s THR 1133Ca 0.82 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 61.26 3iyl s THR 1133Cb -0.23 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 69.82 3iyl s THR 1133CO 0.33 0.00 0.14 0.68 -2.21 0.00 0.00 174.62 173.55 3iyl s VAL 1134N -3.58 -0.20 -0.05 5.08 -7.23 -1.26 -4.46 120.40 108.71 3iyl s VAL 1134Ca 0.01 0.10 0.04 0.00 -1.81 0.00 0.00 61.98 60.32 3iyl s VAL 1134Cb -0.01 -0.44 -0.03 0.00 0.56 0.00 0.00 36.38 36.46 3iyl s VAL 1134CO -0.12 -0.06 -0.14 0.00 -0.31 0.00 0.00 175.10 174.48 3iyl s ALA 1135N 2.23 2.69 -0.08 1.32 0.00 -0.75 -4.94 121.76 122.24 3iyl s ALA 1135Ca 0.04 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.04 3iyl s ALA 1135Cb -0.14 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 22.01 3iyl s ALA 1135CO -0.08 0.56 -0.15 -0.51 0.00 0.00 0.00 175.76 175.58 3iyl s LEU 1136N -0.78 1.75 -1.06 0.00 1.43 -1.26 0.24 118.68 119.00 3iyl s LEU 1136Ca 0.12 -0.38 -0.10 0.00 -1.03 0.00 0.00 54.13 52.74 3iyl s LEU 1136Cb -0.11 -1.00 -0.07 0.00 0.03 0.00 0.00 46.19 45.05 3iyl s LEU 1136CO 0.01 0.06 2.23 0.59 0.23 0.00 0.00 176.35 179.47 3iyl n ASN 1137N 3.83 5.03 -4.65 2.29 4.13 0.24 -4.91 115.26 121.21 3iyl n ASN 1137Ca -0.21 -2.48 -0.49 0.00 1.68 0.00 0.00 54.58 53.07 3iyl n ASN 1137Cb 0.52 -1.23 -0.05 0.00 -1.54 0.00 0.00 39.78 37.48 3iyl n ASN 1137CO 0.00 0.00 0.00 0.80 0.28 0.00 0.00 177.26 178.34 3iyl n MET 1138N 4.81 1.76 -2.26 3.52 1.56 -1.26 -4.07 117.12 121.17 3iyl n MET 1138Ca 0.52 0.64 -0.36 0.00 -0.27 0.00 0.00 57.70 58.23 3iyl n MET 1138Cb 0.22 -2.38 -0.00 0.00 2.15 0.00 0.00 33.22 33.21 3iyl n MET 1138CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 3iyl s PRO 1139N 1.64 3.56 0.63 2.12 0.04 -1.26 -5.01 135.00 136.71 3iyl s PRO 1139Ca 0.85 1.69 -0.17 0.00 0.04 0.00 0.00 61.00 63.40 3iyl s PRO 1139Cb -0.80 -2.20 -0.01 0.00 0.04 0.00 0.00 34.50 31.52 3iyl s PRO 1139CO 0.46 -0.70 1.19 -2.14 0.04 0.00 0.00 177.00 175.85 3iyl s PRO 1140N -3.00 2.77 0.28 0.56 0.02 -1.26 -4.91 135.00 129.47 3iyl s PRO 1140Ca 0.68 1.72 0.00 0.00 0.02 0.00 0.00 61.00 63.43 3iyl s PRO 1140Cb -0.26 -1.91 0.67 0.00 0.02 0.00 0.00 34.50 33.02 3iyl s PRO 1140CO 0.30 -1.34 1.62 -1.35 -0.33 0.00 0.00 177.00 175.91 3iyl h PRO 1141N 0.49 0.12 -6.23 5.54 0.11 -1.95 -3.14 132.00 126.94 3iyl h PRO 1141Ca -0.49 -0.01 -0.57 0.00 0.11 0.00 0.00 66.00 65.04 3iyl h PRO 1141Cb 1.29 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 3iyl h PRO 1141CO 0.54 0.08 -0.15 -0.98 -0.21 0.00 0.00 178.00 177.28 3iyl s ARG 1142N -5.99 3.90 0.00 1.05 1.70 -1.26 -3.42 118.95 114.93 3iyl s ARG 1142Ca -0.13 0.37 0.00 0.00 -0.47 0.00 0.00 55.73 55.50 3iyl s ARG 1142Cb 0.26 -2.97 0.00 0.00 -0.57 0.00 0.00 34.95 31.67 3iyl s ARG 1142CO 0.77 0.52 0.00 0.94 -1.08 0.00 0.00 175.30 176.45 3iyl n GLN 1143N 0.88 0.00 -4.61 3.89 -0.06 -1.26 -5.00 117.38 111.23 3iyl n GLN 1143Ca -0.07 0.00 -0.33 0.00 -2.00 0.00 0.00 57.00 54.60 3iyl n GLN 1143Cb 0.52 -0.84 -0.15 0.00 -4.06 0.00 0.00 30.24 25.71 3iyl n GLN 1143CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 3iyl s LEU 1144N 0.00 2.55 0.31 1.69 0.20 -1.18 -4.95 118.68 117.29 3iyl s LEU 1144Ca 0.00 -0.43 0.07 0.00 0.69 0.00 0.00 54.13 54.46 3iyl s LEU 1144Cb 0.00 -1.58 -0.06 0.00 -0.43 0.00 0.00 46.19 44.12 3iyl s LEU 1144CO 0.00 0.11 -0.05 1.51 -0.29 0.00 0.00 176.35 177.63 3iyl s ASP 1145N 0.69 2.99 -0.07 3.68 1.47 -1.26 -4.90 116.67 119.26 3iyl s ASP 1145Ca -0.07 -1.22 0.18 0.00 1.18 0.00 0.00 52.55 52.62 3iyl s ASP 1145Cb -0.16 -0.21 0.63 0.00 -0.34 0.00 0.00 42.92 42.84 3iyl s ASP 1145CO 0.02 -0.35 1.54 0.49 0.68 0.00 0.00 175.17 177.55 3iyl n PHE 1146N -0.66 1.17 -0.79 2.11 3.01 -1.26 -4.54 117.46 116.50 3iyl n PHE 1146Ca -0.05 -0.59 -0.13 0.00 1.01 0.00 0.00 57.45 57.70 3iyl n PHE 1146Cb 0.64 -0.16 0.10 0.00 -0.01 0.00 0.00 39.48 40.06 3iyl n PHE 1146CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3iyl n THR 1147N 1.05 0.00 -0.02 4.37 -2.24 -1.26 -4.43 114.28 111.74 3iyl n THR 1147Ca 0.23 -0.22 -0.12 0.00 -2.27 0.00 0.00 64.05 61.67 3iyl n THR 1147Cb 0.76 -1.16 -0.07 0.00 -2.10 0.00 0.00 70.33 67.76 3iyl n THR 1147CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 3iyl h ASP 1148N -1.64 0.13 -1.97 3.42 3.58 -1.96 -3.42 116.42 114.56 3iyl h ASP 1148Ca -0.17 -0.31 -0.59 0.00 0.42 0.00 0.00 57.03 56.37 3iyl h ASP 1148Cb 0.53 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.54 3iyl h ASP 1148CO 0.12 0.42 1.47 0.52 -2.88 0.00 0.00 179.24 178.88 3iyl n VAL 1149N -4.84 0.37 -2.48 2.25 0.31 -1.26 -4.90 118.33 107.78 3iyl n VAL 1149Ca -0.07 -0.43 -0.42 0.00 -0.01 0.00 0.00 64.34 63.42 3iyl n VAL 1149Cb 0.19 -2.50 -0.03 0.00 -0.91 0.00 0.00 33.84 30.59 3iyl n VAL 1149CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3iyl s GLY 1150N 7.97 2.50 0.62 2.92 0.00 -1.26 -4.85 107.32 115.22 3iyl s GLY 1150Ca 1.00 0.78 -0.17 0.00 0.00 0.00 0.00 44.72 46.33 3iyl s GLY 1150CO 0.36 1.98 1.15 0.21 0.00 0.00 0.00 173.10 176.80 3iyl s ASN 1151N 1.06 5.19 -0.12 1.64 2.47 -0.62 -4.54 114.94 120.03 3iyl s ASN 1151Ca 0.57 2.18 -0.02 0.00 0.42 0.00 0.00 52.86 56.01 3iyl s ASN 1151Cb -0.28 -2.58 0.04 0.00 -1.45 0.00 0.00 41.25 36.99 3iyl s ASN 1151CO 0.29 -1.58 0.03 1.51 -3.72 0.00 0.00 177.10 173.62 3iyl s ASP 1152N -2.05 2.04 -0.22 -4.21 -4.77 -1.26 -1.59 116.67 104.61 3iyl s ASP 1152Ca 0.72 -0.36 -0.18 0.00 -3.30 0.00 0.00 52.55 49.43 3iyl s ASP 1152Cb -0.25 -0.44 -0.03 0.00 -1.09 0.00 0.00 42.92 41.12 3iyl s ASP 1152CO 0.36 -0.25 0.53 0.00 0.70 0.00 0.00 175.17 176.50 3iyl s ALA 1153N 1.98 3.56 0.01 2.11 0.00 -0.86 -4.84 121.76 123.72 3iyl s ALA 1153Ca 0.03 -0.45 -0.30 0.00 0.00 0.00 0.00 51.96 51.24 3iyl s ALA 1153Cb -0.14 -2.85 -0.07 0.00 0.00 0.00 0.00 23.12 20.05 3iyl s ALA 1153CO -0.06 -0.54 1.74 0.50 0.00 0.00 0.00 175.76 177.39 3iyl s ARG 1154N 1.87 4.18 -0.15 0.00 3.52 -1.26 -1.63 118.95 125.47 3iyl s ARG 1154Ca 0.24 2.35 -0.18 0.00 -0.13 0.00 0.00 55.73 58.01 3iyl s ARG 1154Cb -0.15 -3.89 -0.04 0.00 -1.56 0.00 0.00 34.95 29.31 3iyl s ARG 1154CO 0.09 -0.84 0.47 0.96 -0.81 0.00 0.00 175.30 175.17 3iyl s ILE 1155N 3.64 5.18 -0.40 4.11 -4.36 -0.75 -0.59 121.20 128.02 3iyl s ILE 1155Ca 0.77 0.90 -0.19 0.00 -0.26 0.00 0.00 60.65 61.87 3iyl s ILE 1155Cb -0.38 -3.80 0.01 0.00 1.25 0.00 0.00 42.46 39.54 3iyl s ILE 1155CO 0.34 0.28 0.53 -0.89 0.24 0.00 0.00 174.94 175.43 3iyl s THR 1156N 0.97 4.98 -0.06 8.37 2.01 0.67 -4.46 115.64 128.12 3iyl s THR 1156Ca 0.24 0.03 -0.28 0.00 0.31 0.00 0.00 61.69 62.00 3iyl s THR 1156Cb -0.15 -4.06 0.06 0.00 0.01 0.00 0.00 72.50 68.36 3iyl s THR 1156CO 0.09 -0.41 0.62 0.00 -0.69 0.00 0.00 174.62 174.23 3iyl n ASP 1158N 1.14 2.65 -0.00 0.00 8.00 -1.26 -4.82 116.55 122.26 3iyl n ASP 1158Ca -0.19 1.12 0.22 0.00 0.71 0.00 0.00 54.79 56.65 3iyl n ASP 1158Cb 0.57 -1.39 0.72 0.00 -0.02 0.00 0.00 41.12 40.99 3iyl n ASP 1158CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3iyl h PRO 1159N 4.70 0.00 -0.62 -0.24 0.13 -2.00 -2.13 132.00 131.84 3iyl h PRO 1159Ca -0.45 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.80 3iyl h PRO 1159Cb 1.28 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.31 3iyl h PRO 1159CO 0.79 0.00 0.08 -0.92 -0.23 0.00 0.00 178.00 177.73 3iyl h TYR 1160N 0.00 0.11 -3.36 1.56 3.20 -2.00 -3.40 116.97 113.09 3iyl h TYR 1160Ca 0.26 0.04 -0.57 0.00 3.14 0.00 0.00 58.73 61.61 3iyl h TYR 1160Cb 1.13 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 39.38 3iyl h TYR 1160CO 0.00 -0.09 0.06 0.71 -1.64 0.00 0.00 178.16 177.20 3iyl s TYR 1161N -6.12 3.54 -0.25 -3.82 2.02 -0.80 -5.04 117.35 106.88 3iyl s TYR 1161Ca -0.13 1.15 -0.19 0.00 -0.37 0.00 0.00 57.07 57.53 3iyl s TYR 1161Cb 0.18 -2.77 -0.03 0.00 -0.40 0.00 0.00 41.96 38.95 3iyl s TYR 1161CO 0.74 0.06 0.55 -0.65 -1.57 0.00 0.00 175.55 174.68 3iyl s GLN 1162N 0.93 4.10 -0.00 -0.62 -0.21 -1.26 -4.86 119.66 117.74 3iyl s GLN 1162Ca 0.35 0.40 -0.05 0.00 0.02 0.00 0.00 55.36 56.08 3iyl s GLN 1162Cb -0.17 -3.63 -0.04 0.00 1.00 0.00 0.00 33.01 30.16 3iyl s GLN 1162CO 0.16 -0.33 0.22 -0.51 -2.12 0.00 0.00 175.29 172.71 3iyl s LEU 1163N 2.23 4.37 -0.06 2.90 1.43 -1.26 0.29 118.68 128.57 3iyl s LEU 1163Ca 0.23 0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 53.76 3iyl s LEU 1163Cb -0.16 -2.63 0.04 0.00 0.03 0.00 0.00 46.19 43.47 3iyl s LEU 1163CO 0.09 0.26 0.13 0.00 0.23 0.00 0.00 176.35 177.06 3iyl s ALA 1164N -1.31 -0.22 0.41 4.21 0.00 -0.68 -4.75 121.76 119.42 3iyl s ALA 1164Ca 0.27 0.63 -0.25 0.00 0.00 0.00 0.00 51.96 52.61 3iyl s ALA 1164Cb -0.13 -0.43 -0.08 0.00 0.00 0.00 0.00 23.12 22.47 3iyl s ALA 1164CO 0.17 -0.16 1.20 0.08 0.00 0.00 0.00 175.76 177.05 3iyl s VAL 1165N 1.18 3.01 0.05 0.00 1.01 -1.26 -1.55 120.40 122.84 3iyl s VAL 1165Ca -0.09 0.85 -0.28 0.00 0.00 0.00 0.00 61.98 62.46 3iyl s VAL 1165Cb -0.12 -3.48 0.10 0.00 0.00 0.00 0.00 36.38 32.88 3iyl s VAL 1165CO -0.06 0.08 1.17 0.00 0.00 0.00 0.00 175.10 176.29 3iyl s ILE 1167N -2.61 2.97 -0.89 0.00 -4.36 -0.92 -0.15 121.20 115.24 3iyl s ILE 1167Ca 0.16 -1.58 -0.19 0.00 -0.26 0.00 0.00 60.65 58.78 3iyl s ILE 1167Cb 0.02 -2.41 0.13 0.00 1.25 0.00 0.00 42.46 41.45 3iyl s ILE 1167CO -0.01 0.01 1.08 0.12 0.24 0.00 0.00 174.94 176.38 3iyl s PHE 1168N -1.38 3.12 -0.30 1.37 2.19 -1.26 -1.78 117.98 119.93 3iyl s PHE 1168Ca 0.21 -1.35 -0.11 0.00 0.33 0.00 0.00 56.93 56.00 3iyl s PHE 1168Cb -0.10 -4.25 -0.03 0.00 -1.31 0.00 0.00 43.02 37.33 3iyl s PHE 1168CO 0.12 -1.46 0.19 0.21 1.83 0.00 0.00 175.22 176.11 3iyl s LYS 1169N 2.63 3.70 6.82 10.12 2.20 -1.11 -4.97 119.74 139.13 3iyl s LYS 1169Ca 0.30 -0.49 0.00 0.00 -0.36 0.00 0.00 55.97 55.42 3iyl s LYS 1169Cb -0.07 -3.66 0.00 0.00 -1.51 0.00 0.00 37.83 32.59 3iyl s LYS 1169CO -0.08 -0.30 0.00 -0.25 -0.36 0.00 0.00 175.35 174.37 3iyl n ASP 1170N 5.05 0.00 0.06 1.43 9.92 -1.26 -3.21 116.55 128.54 3iyl n ASP 1170Ca -0.14 0.00 0.06 0.00 -0.53 0.00 0.00 54.79 54.18 3iyl n ASP 1170Cb 0.51 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.93 3iyl n ASP 1170CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3iyl n GLY 1171N 0.00 -1.30 3.73 0.44 0.00 -1.26 -4.96 105.19 101.84 3iyl n GLY 1171Ca 0.00 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 3iyl n GLY 1171CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3iyl n GLN 1172N -2.75 0.68 -4.25 1.61 1.13 -1.20 -5.12 117.38 107.48 3iyl n GLN 1172Ca -0.06 -3.26 -0.34 0.00 -1.94 0.00 0.00 57.00 51.40 3iyl n GLN 1172Cb 0.70 0.20 -0.10 0.00 0.11 0.00 0.00 30.24 31.14 3iyl n GLN 1172CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 3iyl s TYR 1173N -2.62 3.15 -0.26 1.08 2.02 -1.26 -2.75 117.35 116.71 3iyl s TYR 1173Ca 0.38 -0.03 -0.02 0.00 -0.37 0.00 0.00 57.07 57.03 3iyl s TYR 1173Cb -0.03 -1.96 0.03 0.00 -0.40 0.00 0.00 41.96 39.60 3iyl s TYR 1173CO 0.24 0.17 -0.04 0.08 -1.57 0.00 0.00 175.55 174.44 3iyl s VAL 1174N 0.03 3.04 -0.13 0.71 1.01 -0.73 -4.90 120.40 119.43 3iyl s VAL 1174Ca 0.03 -1.00 -0.39 0.00 0.00 0.00 0.00 61.98 60.62 3iyl s VAL 1174Cb -0.13 -2.57 -0.16 0.00 0.00 0.00 0.00 36.38 33.53 3iyl s VAL 1174CO 0.02 0.16 1.59 0.54 0.00 0.00 0.00 175.10 177.41 3iyl n ARG 1175N 4.69 1.20 -1.59 2.72 1.74 -1.26 -2.17 116.66 121.98 3iyl n ARG 1175Ca -0.16 0.44 -0.32 0.00 -0.77 0.00 0.00 57.85 57.04 3iyl n ARG 1175Cb 0.47 -2.11 0.06 0.00 -1.02 0.00 0.00 32.46 29.86 3iyl n ARG 1175CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3iyl s VAL 1176N 2.37 3.37 0.38 1.55 0.11 -0.93 -3.50 120.40 123.74 3iyl s VAL 1176Ca 0.93 0.55 -0.27 0.00 -2.93 0.00 0.00 61.98 60.26 3iyl s VAL 1176Cb -1.01 -3.08 -0.09 0.00 -1.53 0.00 0.00 36.38 30.67 3iyl s VAL 1176CO 0.58 -0.47 1.27 0.21 -3.33 0.00 0.00 175.10 173.36 3iyl s ASN 1177N -2.96 6.52 0.54 3.54 2.47 -0.93 -4.19 114.94 119.93 3iyl s ASN 1177Ca 0.64 2.60 0.25 0.00 0.42 0.00 0.00 52.86 56.77 3iyl s ASN 1177Cb -0.19 -2.64 1.42 0.00 -1.45 0.00 0.00 41.25 38.40 3iyl s ASN 1177CO 0.47 -0.70 2.01 1.55 -3.72 0.00 0.00 177.10 176.71 3iyl h PRO 1178N 2.92 0.00 -0.00 0.43 0.13 -1.74 -2.34 132.00 131.41 3iyl h PRO 1178Ca -0.49 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.48 3iyl h PRO 1178Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 3iyl h PRO 1178CO 0.64 0.00 -0.74 0.93 -0.23 0.00 0.00 178.00 178.60 3iyl h GLU 1179N 0.00 0.04 -0.05 0.86 4.39 -1.91 -3.28 114.58 114.63 3iyl h GLU 1179Ca 0.22 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.84 3iyl h GLU 1179Cb 0.94 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 3iyl h GLU 1179CO -0.00 0.75 -0.18 -0.22 -1.16 0.00 0.00 179.01 178.20 3iyl h LYS 1180N 0.02 0.22 -3.18 2.33 1.63 -1.52 -3.41 116.57 112.67 3iyl h LYS 1180Ca -0.01 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.61 3iyl h LYS 1180Cb 1.30 0.03 -0.10 0.00 -0.60 0.00 0.00 32.23 32.85 3iyl h LYS 1180CO 0.10 0.79 0.10 0.00 -3.45 0.00 0.00 179.45 176.99 3iyl s ALA 1181N -3.73 -1.20 -0.14 5.00 0.00 -1.12 -1.16 121.76 119.41 3iyl s ALA 1181Ca -0.15 0.03 -0.34 0.00 0.00 0.00 0.00 51.96 51.50 3iyl s ALA 1181Cb 0.03 0.84 0.14 0.00 0.00 0.00 0.00 23.12 24.13 3iyl s ALA 1181CO 0.74 -0.80 1.35 -1.54 0.00 0.00 0.00 175.76 175.51 3iyl s SER 1182N -2.83 -0.04 -0.94 0.00 1.04 0.42 -3.83 113.70 107.53 3iyl s SER 1182Ca 0.06 -0.04 -0.02 0.00 0.48 0.00 0.00 55.95 56.43 3iyl s SER 1182Cb -0.01 0.07 0.26 0.00 0.10 0.00 0.00 66.02 66.44 3iyl s SER 1182CO -0.06 -0.13 1.04 0.52 0.98 0.00 0.00 173.24 175.59 3iyl n VAL 1183N -0.31 3.82 -2.09 5.02 0.31 -1.26 -0.07 118.33 123.75 3iyl n VAL 1183Ca -0.04 -5.43 -0.42 0.00 -0.01 0.00 0.00 64.34 58.44 3iyl n VAL 1183Cb 0.61 -2.26 -0.03 0.00 -0.91 0.00 0.00 33.84 31.25 3iyl n VAL 1183CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3iyl s VAL 1184N -2.02 3.62 -0.19 2.52 1.01 -0.76 -4.75 120.40 119.82 3iyl s VAL 1184Ca 0.32 0.85 -0.02 0.00 0.00 0.00 0.00 61.98 63.12 3iyl s VAL 1184Cb 0.00 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.83 3iyl s VAL 1184CO -0.03 -0.05 -0.09 0.42 0.00 0.00 0.00 175.10 175.35 3iyl s THR 1185N 3.49 3.02 0.11 3.92 -4.23 -1.26 -1.01 115.64 119.68 3iyl s THR 1185Ca 0.69 -0.62 -0.02 0.00 -1.18 0.00 0.00 61.69 60.56 3iyl s THR 1185Cb -0.32 -2.34 -0.05 0.00 1.34 0.00 0.00 72.50 71.13 3iyl s THR 1185CO 0.28 0.47 0.30 0.20 -0.54 0.00 0.00 174.62 175.32 3iyl s ASN 1186N 1.22 6.42 0.29 3.99 0.01 -0.03 -4.98 114.94 121.86 3iyl s ASN 1186Ca 0.02 0.43 0.03 0.00 -0.71 0.00 0.00 52.86 52.63 3iyl s ASN 1186Cb -0.14 -2.02 0.68 0.00 0.41 0.00 0.00 41.25 40.18 3iyl s ASN 1186CO -0.04 0.10 1.73 0.00 -1.51 0.00 0.00 177.10 177.39 3iyl h ALA 1187N 2.88 1.46 0.00 0.60 0.00 -2.04 0.15 119.26 122.31 3iyl h ALA 1187Ca -0.46 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 3iyl h ALA 1187Cb 1.16 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3iyl h ALA 1187CO 0.74 -0.21 -0.16 -1.35 0.00 0.00 0.00 179.25 178.27 3iyl h PRO 1188N 0.54 0.00 -1.45 0.00 0.11 -2.03 -3.46 132.00 125.71 3iyl h PRO 1188Ca 0.54 0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.77 3iyl h PRO 1188Cb 0.92 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 31.80 3iyl h PRO 1188CO -0.45 0.16 0.65 0.54 -0.21 0.00 0.00 178.00 178.69 3iyl s ASN 1189N -7.01 -0.28 -0.11 -2.05 4.22 0.04 -5.14 114.94 104.61 3iyl s ASN 1189Ca -0.04 0.30 -0.21 0.00 -2.14 0.00 0.00 52.86 50.77 3iyl s ASN 1189Cb 0.16 0.24 -0.04 0.00 1.28 0.00 0.00 41.25 42.89 3iyl s ASN 1189CO 0.69 -0.27 0.59 -0.13 -2.04 0.00 0.00 177.10 175.94 3iyl s ARG 1190N -1.16 4.36 0.16 3.55 0.52 -1.26 -0.85 118.95 124.27 3iyl s ARG 1190Ca 0.01 0.65 0.10 0.00 -0.52 0.00 0.00 55.73 55.97 3iyl s ARG 1190Cb -0.01 -3.46 -0.04 0.00 0.52 0.00 0.00 34.95 31.96 3iyl s ARG 1190CO -0.01 0.05 -0.22 -0.51 0.02 0.00 0.00 175.30 174.64 3iyl s ASP 1191N 0.79 3.00 -0.45 0.23 1.11 -0.18 -1.81 116.67 119.36 3iyl s ASP 1191Ca 0.31 -0.83 -0.15 0.00 0.18 0.00 0.00 52.55 52.07 3iyl s ASP 1191Cb -0.16 -0.20 0.06 0.00 1.07 0.00 0.00 42.92 43.69 3iyl s ASP 1191CO 0.13 0.06 0.36 -0.22 1.18 0.00 0.00 175.17 176.69 3iyl s LEU 1192N -2.49 5.48 -0.09 1.23 1.98 -0.65 -1.83 118.68 122.31 3iyl s LEU 1192Ca 0.16 -1.25 -0.19 0.00 -2.89 0.00 0.00 54.13 49.96 3iyl s LEU 1192Cb -0.08 -2.16 -0.04 0.00 0.66 0.00 0.00 46.19 44.57 3iyl s LEU 1192CO 0.07 -0.60 0.51 -2.28 -1.89 0.00 0.00 176.35 172.17 3iyl s HIS 1193N 1.63 3.55 -0.01 5.38 5.65 0.89 -2.03 115.29 130.36 3iyl s HIS 1193Ca 0.04 0.97 -0.13 0.00 0.25 0.00 0.00 55.06 56.20 3iyl s HIS 1193Cb -0.23 -2.57 0.02 0.00 -1.18 0.00 0.00 32.58 28.62 3iyl s HIS 1193CO 0.07 0.21 0.26 -0.59 -0.65 0.00 0.00 174.74 174.04 3iyl s PHE 1194N 0.44 -0.11 -0.19 3.88 -0.71 -0.62 -0.43 117.98 120.23 3iyl s PHE 1194Ca 0.28 0.14 0.00 0.00 -1.04 0.00 0.00 56.93 56.31 3iyl s PHE 1194Cb -0.16 0.06 0.02 0.00 -1.21 0.00 0.00 43.02 41.73 3iyl s PHE 1194CO 0.12 -0.37 -0.16 0.08 -1.34 0.00 0.00 175.22 173.55 3iyl s VAL 1195N -1.42 2.32 0.14 -2.49 1.01 -0.31 -1.59 120.40 118.07 3iyl s VAL 1195Ca -0.13 -0.89 -0.31 0.00 0.00 0.00 0.00 61.98 60.64 3iyl s VAL 1195Cb -0.06 -2.02 -0.09 0.00 0.00 0.00 0.00 36.38 34.21 3iyl s VAL 1195CO 0.03 0.48 1.55 -0.76 0.00 0.00 0.00 175.10 176.40 3iyl s LEU 1196N 1.32 4.37 0.07 3.92 2.01 -1.26 -4.90 118.68 124.21 3iyl s LEU 1196Ca 0.04 2.55 0.05 0.00 0.01 0.00 0.00 54.13 56.78 3iyl s LEU 1196Cb -0.14 -3.59 -0.03 0.00 0.01 0.00 0.00 46.19 42.45 3iyl s LEU 1196CO -0.11 -0.81 -0.13 -1.81 1.01 0.00 0.00 176.35 174.51 3iyl s ASP 1197N 1.33 1.60 0.61 2.29 1.11 -1.26 -4.37 116.67 117.98 3iyl s ASP 1197Ca 0.70 -0.63 0.33 0.00 0.18 0.00 0.00 52.55 53.12 3iyl s ASP 1197Cb -0.42 -0.04 1.92 0.00 1.07 0.00 0.00 42.92 45.45 3iyl s ASP 1197CO 0.31 -0.10 2.24 -0.07 1.18 0.00 0.00 175.17 178.72 3iyl h LEU 1198N 4.22 0.00 -0.71 1.23 3.38 -1.57 0.13 115.31 121.98 3iyl h LEU 1198Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3iyl h LEU 1198Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3iyl h LEU 1198CO 0.42 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.95 3iyl h ALA 1199N 1.92 1.00 0.00 1.53 0.00 -1.89 -3.25 119.26 118.57 3iyl h ALA 1199Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3iyl h ALA 1199Cb 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3iyl h ALA 1199CO -0.00 0.00 -0.05 -0.44 0.00 0.00 0.00 179.25 178.76 3iyl h ASP 1200N 0.00 0.00 0.47 0.00 5.19 -1.17 -1.75 116.42 119.16 3iyl h ASP 1200Ca 0.00 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.24 3iyl h ASP 1200Cb 0.41 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.91 3iyl h ASP 1200CO 0.00 0.05 -0.74 0.78 -3.12 0.00 0.00 179.24 176.21 3iyl h ASN 1201N 0.00 0.26 0.00 6.45 4.21 -1.70 -3.36 115.58 121.45 3iyl h ASN 1201Ca -0.00 -0.18 -0.08 0.00 1.21 0.00 0.00 56.30 57.25 3iyl h ASN 1201Cb 0.09 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.20 3iyl h ASN 1201CO 0.01 0.91 -0.48 0.45 -1.29 0.00 0.00 177.43 177.02 3iyl h HIS 1202N 0.14 0.00 -3.35 1.19 3.86 -1.72 -3.46 115.15 111.81 3iyl h HIS 1202Ca -0.02 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.59 3iyl h HIS 1202Cb 1.30 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.65 3iyl h HIS 1202CO 0.03 0.88 -0.40 0.08 0.86 0.00 0.00 177.93 179.37 3iyl s VAL 1203N -2.17 5.34 0.25 2.45 1.01 -0.68 -5.09 120.40 121.51 3iyl s VAL 1203Ca -0.19 0.37 0.07 0.00 0.00 0.00 0.00 61.98 62.24 3iyl s VAL 1203Cb 0.01 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 3iyl s VAL 1203CO 0.49 0.39 0.20 -1.48 0.00 0.00 0.00 175.10 174.69 3iyl s LEU 1204N 0.61 3.81 0.18 3.92 2.34 -1.26 -4.41 118.68 123.86 3iyl s LEU 1204Ca 0.12 -0.26 0.06 0.00 0.06 0.00 0.00 54.13 54.11 3iyl s LEU 1204Cb -0.12 -2.34 -0.04 0.00 -0.56 0.00 0.00 46.19 43.13 3iyl s LEU 1204CO 0.02 -0.04 0.13 -0.76 -1.06 0.00 0.00 176.35 174.64 3iyl s LEU 1205N -3.84 3.74 -0.04 1.48 1.43 -1.26 -4.57 118.68 115.62 3iyl s LEU 1205Ca 0.33 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.26 3iyl s LEU 1205Cb -0.08 -2.34 0.01 0.00 0.03 0.00 0.00 46.19 43.81 3iyl s LEU 1205CO 0.25 0.06 -0.08 -0.31 0.23 0.00 0.00 176.35 176.49 3iyl s TYR 1206N -1.81 1.02 -0.20 0.29 2.02 0.79 0.19 117.35 119.65 3iyl s TYR 1206Ca 0.31 -0.30 -0.24 0.00 -0.37 0.00 0.00 57.07 56.46 3iyl s TYR 1206Cb -0.10 -0.77 -0.01 0.00 -0.40 0.00 0.00 41.96 40.68 3iyl s TYR 1206CO 0.23 -0.17 0.79 -0.51 -1.57 0.00 0.00 175.55 174.32 3iyl s LEU 1207N 0.54 4.14 0.01 -1.29 1.43 -0.85 -1.98 118.68 120.67 3iyl s LEU 1207Ca -0.09 1.06 0.06 0.00 -1.03 0.00 0.00 54.13 54.13 3iyl s LEU 1207Cb -0.12 -3.15 -0.02 0.00 0.03 0.00 0.00 46.19 42.93 3iyl s LEU 1207CO 0.01 -0.42 -0.18 0.00 0.23 0.00 0.00 176.35 176.00 3iyl s ASP 1209N -0.70 5.18 -0.43 0.00 2.15 -0.72 -1.69 116.67 120.47 3iyl s ASP 1209Ca 0.06 1.65 -0.26 0.00 0.43 0.00 0.00 52.55 54.44 3iyl s ASP 1209Cb -0.07 -2.51 0.02 0.00 -0.30 0.00 0.00 42.92 40.06 3iyl s ASP 1209CO 0.00 -2.21 0.94 -0.69 -0.17 0.00 0.00 175.17 173.04 3iyl s VAL 1210N 9.35 4.49 0.30 1.11 1.01 0.14 0.70 120.40 137.51 3iyl s VAL 1210Ca 0.99 0.95 0.03 0.00 0.00 0.00 0.00 61.98 63.95 3iyl s VAL 1210Cb -0.28 -4.41 -0.05 0.00 0.00 0.00 0.00 36.38 31.63 3iyl s VAL 1210CO 0.33 -0.74 0.09 0.42 0.00 0.00 0.00 175.10 175.20 3iyl s THR 1211N 3.71 0.79 0.56 3.92 -4.23 -1.26 -4.54 115.64 114.58 3iyl s THR 1211Ca 0.38 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.14 3iyl s THR 1211Cb -0.11 -2.67 0.35 0.00 1.34 0.00 0.00 72.50 71.41 3iyl s THR 1211CO 0.24 0.00 2.09 -0.65 -0.54 0.00 0.00 174.62 175.76 3iyl h PRO 1212N 2.22 0.00 0.00 3.99 0.11 -1.95 -3.41 132.00 132.96 3iyl h PRO 1212Ca -0.39 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.46 3iyl h PRO 1212Cb 1.25 0.00 0.12 0.00 0.11 0.00 0.00 31.00 32.48 3iyl h PRO 1212CO 0.63 0.00 0.19 0.45 -0.21 0.00 0.00 178.00 179.06 3iyl n SER 1213N -4.12 -0.71 -4.71 -2.05 2.88 -1.26 -4.89 113.62 98.77 3iyl n SER 1213Ca 0.02 -1.14 -0.42 0.00 -1.33 0.00 0.00 58.87 56.00 3iyl n SER 1213Cb 0.33 -0.65 -0.03 0.00 -0.75 0.00 0.00 64.21 63.11 3iyl n SER 1213CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3iyl s GLY 1214N -4.38 1.35 0.78 0.46 0.00 -1.26 -4.91 107.32 99.36 3iyl s GLY 1214Ca 0.47 1.46 -0.14 0.00 0.00 0.00 0.00 44.72 46.52 3iyl s GLY 1214CO 0.34 2.92 1.20 0.48 0.00 0.00 0.00 173.10 178.04 3iyl s LEU 1215N 1.83 3.18 -0.46 0.66 0.05 -1.26 -4.24 118.68 118.43 3iyl s LEU 1215Ca 0.76 2.32 -0.01 0.00 0.05 0.00 0.00 54.13 57.25 3iyl s LEU 1215Cb -0.46 -4.58 0.00 0.00 -2.05 0.00 0.00 46.19 39.09 3iyl s LEU 1215CO 0.33 -2.52 0.19 0.61 -0.55 0.00 0.00 176.35 174.42 3iyl n GLY 1216N 0.35 0.33 0.13 -3.48 0.00 0.22 -4.69 105.19 98.05 3iyl n GLY 1216Ca 0.13 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 3iyl n GLY 1216CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iyl n ASP 1217N 0.46 1.99 0.13 1.61 8.00 -1.26 -4.26 116.55 123.23 3iyl n ASP 1217Ca -0.03 0.20 -0.13 0.00 0.71 0.00 0.00 54.79 55.54 3iyl n ASP 1217Cb 0.54 -0.77 -0.08 0.00 -0.02 0.00 0.00 41.12 40.78 3iyl n ASP 1217CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3iyl h ARG 1218N -0.43 -0.34 -4.07 -1.24 3.08 -1.94 -3.42 114.38 106.02 3iyl h ARG 1218Ca -0.50 0.02 -0.56 0.00 0.07 0.00 0.00 59.98 59.01 3iyl h ARG 1218Cb 1.74 0.08 -0.38 0.00 0.08 0.00 0.00 29.97 31.48 3iyl h ARG 1218CO -0.14 -0.02 -0.78 -1.50 -1.07 0.00 0.00 179.97 176.46 3iyl s ILE 1219N -4.71 1.09 -0.15 2.04 2.07 -1.26 -4.99 121.20 115.28 3iyl s ILE 1219Ca -0.14 -0.78 0.14 0.00 -1.41 0.00 0.00 60.65 58.46 3iyl s ILE 1219Cb 0.02 -1.37 0.39 0.00 0.13 0.00 0.00 42.46 41.64 3iyl s ILE 1219CO 0.56 -0.01 1.19 0.00 -1.91 0.00 0.00 174.94 174.77 3iyl n ALA 1220N 4.86 3.20 -1.60 1.50 0.00 -1.26 -1.75 120.51 125.46 3iyl n ALA 1220Ca -0.11 -2.97 -0.47 0.00 0.00 0.00 0.00 53.44 49.89 3iyl n ALA 1220Cb 0.47 -0.43 -0.03 0.00 0.00 0.00 0.00 19.45 19.45 3iyl n ALA 1220CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3iyl n PHE 1221N -0.80 1.49 -3.34 0.00 -0.00 -1.23 -4.67 117.46 108.91 3iyl n PHE 1221Ca 0.15 0.63 -0.38 0.00 -0.00 0.00 0.00 57.45 57.86 3iyl n PHE 1221Cb 0.77 -2.31 -0.06 0.00 -0.00 0.00 0.00 39.48 37.88 3iyl n PHE 1221CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 3iyl s PRO 1222N -0.62 4.32 -0.36 -7.13 0.04 -1.26 -2.01 135.00 127.98 3iyl s PRO 1222Ca 0.69 0.41 -0.29 0.00 0.04 0.00 0.00 61.00 61.86 3iyl s PRO 1222Cb -0.77 -3.43 0.01 0.00 0.04 0.00 0.00 34.50 30.34 3iyl s PRO 1222CO 0.53 0.18 1.37 0.42 0.04 0.00 0.00 177.00 179.54 3iyl s ILE 1223N 0.57 4.00 -2.94 0.56 1.01 0.13 -4.82 121.20 119.71 3iyl s ILE 1223Ca 0.25 1.08 0.24 0.00 0.00 0.00 0.00 60.65 62.21 3iyl s ILE 1223Cb -0.15 -4.18 0.19 0.00 0.01 0.00 0.00 42.46 38.34 3iyl s ILE 1223CO 0.10 -0.63 1.25 0.52 0.00 0.00 0.00 174.94 176.18 3iyl n VAL 1224N 6.68 0.02 -0.08 2.92 0.31 -1.26 -4.08 118.33 122.83 3iyl n VAL 1224Ca 0.16 -0.51 -0.10 0.00 -0.01 0.00 0.00 64.34 63.88 3iyl n VAL 1224Cb 0.47 1.48 -0.05 0.00 -0.91 0.00 0.00 33.84 34.83 3iyl n VAL 1224CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3iyl h ASP 1225N 4.63 0.00 0.18 4.52 5.19 -1.98 -3.15 116.42 125.80 3iyl h ASP 1225Ca 0.00 -0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.20 3iyl h ASP 1225Cb 0.98 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.49 3iyl h ASP 1225CO 0.00 0.95 0.00 -0.38 -3.12 0.00 0.00 179.24 176.69 3iyl n ILE 1226N -4.59 1.56 0.32 0.35 5.41 -1.26 -0.41 119.36 120.74 3iyl n ILE 1226Ca -0.14 0.44 0.12 0.00 1.00 0.00 0.00 62.75 64.17 3iyl n ILE 1226Cb 0.36 -1.37 0.11 0.00 -0.71 0.00 0.00 39.64 38.04 3iyl n ILE 1226CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 3iyl h TYR 1227N 0.00 0.00 0.00 1.39 5.03 -1.71 -3.38 116.97 118.31 3iyl h TYR 1227Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 3iyl h TYR 1227Cb 0.09 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.37 3iyl h TYR 1227CO 0.00 0.00 -0.81 0.54 -1.32 0.00 0.00 178.16 176.57 3iyl n ARG 1228N -2.53 2.44 -1.34 1.82 1.74 0.45 -4.07 116.66 115.17 3iyl n ARG 1228Ca 0.02 -0.03 -0.53 0.00 -0.77 0.00 0.00 57.85 56.54 3iyl n ARG 1228Cb 0.50 -0.97 -0.13 0.00 -1.02 0.00 0.00 32.46 30.84 3iyl n ARG 1228CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3iyl n ILE 1229N -1.44 0.00 -2.27 0.55 5.41 -0.62 -4.80 119.36 116.19 3iyl n ILE 1229Ca -0.00 -0.01 -0.42 0.00 1.00 0.00 0.00 62.75 63.32 3iyl n ILE 1229Cb 0.12 -0.53 -0.03 0.00 -0.71 0.00 0.00 39.64 38.50 3iyl n ILE 1229CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3iyl s ALA 1230N 7.11 3.54 -0.22 -1.39 0.00 -1.26 -4.95 121.76 124.59 3iyl s ALA 1230Ca 1.25 0.89 -0.26 0.00 0.00 0.00 0.00 51.96 53.84 3iyl s ALA 1230Cb -1.40 -3.55 -0.00 0.00 0.00 0.00 0.00 23.12 18.17 3iyl s ALA 1230CO 0.60 -0.77 0.90 -0.06 0.00 0.00 0.00 175.76 176.43 3iyl s PHE 1231N 1.94 3.34 0.00 0.00 0.08 -1.26 -5.05 117.98 117.03 3iyl s PHE 1231Ca 0.62 1.27 0.00 0.00 0.12 0.00 0.00 56.93 58.94 3iyl s PHE 1231Cb -0.31 -3.11 0.00 0.00 -0.57 0.00 0.00 43.02 39.02 3iyl s PHE 1231CO 0.27 -0.39 0.00 -0.35 -0.10 0.00 0.00 175.22 174.65 3iyl n PRO 1232N 5.95 -0.57 -0.02 0.24 -0.04 -1.26 -5.02 135.00 134.27 3iyl n PRO 1232Ca 0.07 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.56 3iyl n PRO 1232Cb 0.47 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.84 3iyl n PRO 1232CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3iyl n ARG 1233N -1.20 0.97 -2.94 0.54 5.12 -1.26 -4.55 116.66 113.34 3iyl n ARG 1233Ca 0.00 -0.07 -0.41 0.00 -1.93 0.00 0.00 57.85 55.44 3iyl n ARG 1233Cb 0.00 -1.28 0.00 0.00 -1.16 0.00 0.00 32.46 30.03 3iyl n ARG 1233CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3iyl n ASN 1234N -2.07 6.42 0.00 0.55 4.13 -1.26 -2.65 115.26 120.38 3iyl n ASN 1234Ca -0.07 -3.50 0.00 0.00 1.68 0.00 0.00 54.58 52.69 3iyl n ASN 1234Cb 0.48 -1.17 0.00 0.00 -1.54 0.00 0.00 39.78 37.55 3iyl n ASN 1234CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3iyl n THR 1235N 0.85 0.00 -2.62 3.41 -2.24 -1.26 -5.09 114.28 107.33 3iyl n THR 1235Ca 0.32 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.75 3iyl n THR 1235Cb 0.32 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.50 3iyl n THR 1235CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3iyl s PRO 1236N -2.00 4.14 0.02 -0.78 0.02 -1.12 -4.06 135.00 131.22 3iyl s PRO 1236Ca 0.00 1.39 0.02 0.00 0.02 0.00 0.00 61.00 62.43 3iyl s PRO 1236Cb 0.00 -2.40 -0.01 0.00 0.02 0.00 0.00 34.50 32.10 3iyl s PRO 1236CO 0.00 -0.14 -0.08 0.14 -0.33 0.00 0.00 177.00 176.59 3iyl s VAL 1237N -1.82 0.59 -0.37 3.83 -7.23 -1.13 -4.61 120.40 109.65 3iyl s VAL 1237Ca 0.60 -0.61 -0.18 0.00 -1.81 0.00 0.00 61.98 59.98 3iyl s VAL 1237Cb -0.18 -0.55 0.00 0.00 0.56 0.00 0.00 36.38 36.21 3iyl s VAL 1237CO 0.23 -0.04 0.48 -0.13 -0.31 0.00 0.00 175.10 175.32 3iyl s ARG 1238N -0.72 3.45 -0.43 4.82 0.52 -1.26 -0.76 118.95 124.57 3iyl s ARG 1238Ca -0.02 -0.38 -0.18 0.00 -0.52 0.00 0.00 55.73 54.63 3iyl s ARG 1238Cb -0.05 -3.86 0.03 0.00 0.52 0.00 0.00 34.95 31.58 3iyl s ARG 1238CO 0.00 -0.70 0.50 0.00 0.02 0.00 0.00 175.30 175.12 3iyl s ALA 1239N 2.30 3.41 0.00 2.13 0.00 0.60 -1.30 121.76 128.89 3iyl s ALA 1239Ca 0.16 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.65 3iyl s ALA 1239Cb -0.16 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.83 3iyl s ALA 1239CO 0.14 -1.67 0.00 -1.13 0.00 0.00 0.00 175.76 173.10 3iyl n SER 1240N 5.79 0.45 -4.52 0.00 3.41 -1.26 -2.62 113.62 114.87 3iyl n SER 1240Ca -0.06 -0.03 -0.33 0.00 -0.26 0.00 0.00 58.87 58.19 3iyl n SER 1240Cb 0.47 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.30 3iyl n SER 1240CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3iyl s LEU 1241N 0.00 2.91 0.12 1.04 2.96 -1.26 -4.85 118.68 119.60 3iyl s LEU 1241Ca 0.00 -0.16 -0.23 0.00 -0.22 0.00 0.00 54.13 53.52 3iyl s LEU 1241Cb 0.00 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 3iyl s LEU 1241CO 0.00 0.34 1.66 1.55 -1.32 0.00 0.00 176.35 178.58 3iyl h PRO 1242N 5.14 -0.23 -2.96 0.98 0.13 -1.93 -3.31 132.00 129.83 3iyl h PRO 1242Ca -0.47 0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 3iyl h PRO 1242Cb 1.16 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3iyl h PRO 1242CO 0.51 -0.16 0.31 1.52 -0.23 0.00 0.00 178.00 179.95 3iyl s TYR 1243N -6.13 0.14 0.61 1.56 1.13 -1.26 -4.56 117.35 108.84 3iyl s TYR 1243Ca -0.15 -0.81 0.32 0.00 -1.41 0.00 0.00 57.07 55.02 3iyl s TYR 1243Cb 0.10 0.84 1.83 0.00 -1.10 0.00 0.00 41.96 43.62 3iyl s TYR 1243CO 0.67 -1.54 2.17 1.79 -2.51 0.00 0.00 175.55 176.13 3iyl h THR 1244N 2.00 0.37 0.00 -3.49 1.35 -1.91 -2.79 112.91 108.44 3iyl h THR 1244Ca -0.33 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3iyl h THR 1244Cb 1.25 0.90 -0.00 0.00 -1.73 0.00 0.00 68.15 68.56 3iyl h THR 1244CO 0.42 0.00 -0.06 0.61 -0.25 0.00 0.00 175.52 176.24 3iyl n GLY 1245N -1.31 4.65 3.27 5.82 0.00 -1.26 -5.04 105.19 111.32 3iyl n GLY 1245Ca -0.01 -1.09 -0.27 0.00 0.00 0.00 0.00 46.02 44.66 3iyl n GLY 1245CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iyl s GLY 1246N -2.79 1.19 0.19 -0.02 0.00 -1.05 -5.14 107.32 99.69 3iyl s GLY 1246Ca 0.31 -1.10 0.08 0.00 0.00 0.00 0.00 44.72 44.01 3iyl s GLY 1246CO 0.02 -1.01 -0.03 -0.32 0.00 0.00 0.00 173.10 171.76 3iyl s GLY 1247N -1.12 1.71 0.23 0.20 0.00 -1.26 -4.47 107.32 102.61 3iyl s GLY 1247Ca 0.09 -1.44 0.01 0.00 0.00 0.00 0.00 44.72 43.38 3iyl s GLY 1247CO 0.02 -1.47 0.27 0.00 0.00 0.00 0.00 173.10 171.92 3iyl n ALA 1248N -0.19 0.06 -3.62 3.20 0.00 -1.26 -4.50 120.51 114.20 3iyl n ALA 1248Ca -0.10 -1.17 -0.09 0.00 0.00 0.00 0.00 53.44 52.08 3iyl n ALA 1248Cb 0.56 0.95 -0.06 0.00 0.00 0.00 0.00 19.45 20.89 3iyl n ALA 1248CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3iyl s HIS 1249N -3.32 -0.38 0.03 0.00 -3.43 -1.19 -2.33 115.29 104.67 3iyl s HIS 1249Ca 0.22 0.84 -0.03 0.00 -0.80 0.00 0.00 55.06 55.29 3iyl s HIS 1249Cb 0.00 0.41 -0.04 0.00 -1.43 0.00 0.00 32.58 31.52 3iyl s HIS 1249CO 0.16 -0.24 0.22 -0.51 -2.00 0.00 0.00 174.74 172.37 3iyl s LEU 1250N -0.30 4.36 -0.34 5.38 1.43 0.15 -1.92 118.68 127.44 3iyl s LEU 1250Ca 0.02 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 3iyl s LEU 1250Cb -0.03 -2.79 0.14 0.00 0.03 0.00 0.00 46.19 43.54 3iyl s LEU 1250CO -0.04 0.22 0.26 0.42 0.23 0.00 0.00 176.35 177.43 3iyl s THR 1251N -1.40 -0.13 -0.19 5.49 -4.23 -1.14 -1.76 115.64 112.27 3iyl s THR 1251Ca 0.31 -1.12 -0.29 0.00 -1.18 0.00 0.00 61.69 59.41 3iyl s THR 1251Cb -0.13 -0.94 -0.02 0.00 1.34 0.00 0.00 72.50 72.76 3iyl s THR 1251CO 0.21 -0.74 1.33 -0.44 -0.54 0.00 0.00 174.62 174.45 3iyl s SER 1252N 1.58 6.82 -1.38 3.99 0.01 -0.94 -3.15 113.70 120.64 3iyl s SER 1252Ca 0.15 1.63 0.00 0.00 1.31 0.00 0.00 55.95 59.04 3iyl s SER 1252Cb -0.18 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.51 3iyl s SER 1252CO -0.13 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.25 3iyl n GLY 1253N 3.88 0.23 1.87 3.44 0.00 -1.23 -2.82 105.19 110.56 3iyl n GLY 1253Ca 0.15 -0.27 -0.00 0.00 0.00 0.00 0.00 46.02 45.90 3iyl n GLY 1253CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iyl n GLY 1254N -1.04 0.53 2.76 -0.02 0.00 -1.23 -5.06 105.19 101.13 3iyl n GLY 1254Ca -0.17 -0.83 -0.18 0.00 0.00 0.00 0.00 46.02 44.84 3iyl n GLY 1254CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3iyl s ASN 1255N -3.00 0.70 -0.78 1.61 -0.87 -1.13 -5.06 114.94 106.41 3iyl s ASN 1255Ca 0.00 0.01 -0.19 0.00 -1.57 0.00 0.00 52.86 51.11 3iyl s ASN 1255Cb -0.00 -0.20 -0.17 0.00 -0.02 0.00 0.00 41.25 40.86 3iyl s ASN 1255CO 0.00 -0.16 1.91 -2.65 -2.57 0.00 0.00 177.10 173.63 3iyl n PRO 1256N 4.60 0.14 -0.10 -0.60 -0.02 -1.26 -2.21 135.00 135.54 3iyl n PRO 1256Ca -0.18 -1.04 -0.13 0.00 -2.02 0.00 0.00 63.50 60.13 3iyl n PRO 1256Cb 0.50 -3.00 -0.04 0.00 -0.02 0.00 0.00 33.50 30.94 3iyl n PRO 1256CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3iyl h PHE 1257N 11.17 0.86 -2.31 6.00 3.04 -1.68 -3.48 116.94 130.54 3iyl h PHE 1257Ca 0.00 -0.25 0.18 0.00 3.98 0.00 0.00 57.97 61.89 3iyl h PHE 1257Cb 1.01 -0.18 -0.08 0.00 2.56 0.00 0.00 35.95 39.26 3iyl h PHE 1257CO 1.20 0.99 0.50 1.41 -2.02 0.00 0.00 178.31 180.40 3iyl s MET 1258N -4.41 1.18 -0.07 1.11 0.00 -0.73 -4.91 119.30 111.47 3iyl s MET 1258Ca -0.12 -0.66 -0.00 0.00 0.00 0.00 0.00 55.69 54.91 3iyl s MET 1258Cb 0.09 0.40 0.03 0.00 0.00 0.00 0.00 34.83 35.34 3iyl s MET 1258CO 0.83 -0.54 -0.03 -1.54 0.00 0.00 0.00 175.02 173.75 3iyl s SER 1259N -2.97 1.48 0.10 1.11 1.04 -1.26 0.32 113.70 113.52 3iyl s SER 1259Ca 0.13 -0.13 -0.10 0.00 0.48 0.00 0.00 55.95 56.32 3iyl s SER 1259Cb -0.01 -0.51 -0.16 0.00 0.10 0.00 0.00 66.02 65.44 3iyl s SER 1259CO 0.02 -0.14 1.26 -0.07 0.98 0.00 0.00 173.24 175.30 3iyl h LEU 1260N 7.94 0.80 -0.73 2.42 -0.00 -1.82 -3.29 115.31 120.63 3iyl h LEU 1260Ca -0.27 -0.61 0.05 0.00 -0.00 0.00 0.00 57.88 57.05 3iyl h LEU 1260Cb 1.13 -0.24 -0.05 0.00 -0.00 0.00 0.00 40.66 41.50 3iyl h LEU 1260CO 0.35 1.40 0.44 0.00 -0.00 0.00 0.00 178.44 180.63 3iyl h THR 1261N 0.38 1.04 -3.34 0.22 1.03 -1.82 -3.39 112.91 107.04 3iyl h THR 1261Ca -0.09 -0.29 -0.67 0.00 -0.01 0.00 0.00 66.41 65.35 3iyl h THR 1261Cb 1.58 0.13 -0.36 0.00 -1.07 0.00 0.00 68.15 68.44 3iyl h THR 1261CO 0.18 0.15 -0.84 0.42 -0.01 0.00 0.00 175.52 175.42 3iyl s THR 1262N -6.10 2.08 -0.02 0.00 -4.23 -1.24 -4.99 115.64 101.14 3iyl s THR 1262Ca -0.13 -1.17 -0.30 0.00 -1.18 0.00 0.00 61.69 58.92 3iyl s THR 1262Cb 0.16 -1.99 -0.07 0.00 1.34 0.00 0.00 72.50 71.94 3iyl s THR 1262CO 0.77 0.34 1.84 -2.84 -0.54 0.00 0.00 174.62 174.20 3iyl s PRO 1263N 1.23 4.09 0.06 3.99 0.02 -1.26 -4.50 135.00 138.63 3iyl s PRO 1263Ca 0.00 2.38 -0.30 0.00 0.02 0.00 0.00 61.00 63.10 3iyl s PRO 1263Cb -0.15 -4.10 -0.09 0.00 0.02 0.00 0.00 34.50 30.17 3iyl s PRO 1263CO -0.10 -0.99 1.95 -2.14 -0.33 0.00 0.00 177.00 175.39 3iyl s PRO 1264N 4.41 4.14 0.36 5.54 0.02 -1.26 -4.80 135.00 143.40 3iyl s PRO 1264Ca 0.83 2.62 0.26 0.00 0.02 0.00 0.00 61.00 64.73 3iyl s PRO 1264Cb -0.38 -4.05 1.22 0.00 0.02 0.00 0.00 34.50 31.31 3iyl s PRO 1264CO 0.36 -0.94 1.29 0.00 -0.33 0.00 0.00 177.00 177.38 3iyl n ALA 1265N 7.16 1.10 -3.73 -1.55 0.00 -1.26 -3.44 120.51 118.78 3iyl n ALA 1265Ca 0.20 0.73 -0.21 0.00 0.00 0.00 0.00 53.44 54.15 3iyl n ALA 1265Cb 0.40 -0.87 -0.17 0.00 0.00 0.00 0.00 19.45 18.81 3iyl n ALA 1265CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3iyl s VAL 1266N -4.99 0.28 0.47 0.00 0.11 -1.26 -5.14 120.40 109.87 3iyl s VAL 1266Ca -0.06 0.15 -0.23 0.00 -2.93 0.00 0.00 61.98 58.92 3iyl s VAL 1266Cb 0.26 -0.43 -0.07 0.00 -1.53 0.00 0.00 36.38 34.60 3iyl s VAL 1266CO 0.67 0.23 1.18 -0.76 -3.33 0.00 0.00 175.10 173.09 3iyl s LEU 1267N 1.80 3.98 0.82 2.54 1.43 -1.22 -5.01 118.68 123.03 3iyl s LEU 1267Ca 0.02 2.34 -0.12 0.00 -1.03 0.00 0.00 54.13 55.34 3iyl s LEU 1267Cb -0.13 -4.26 0.09 0.00 0.03 0.00 0.00 46.19 41.92 3iyl s LEU 1267CO -0.04 -0.99 1.16 -2.84 0.23 0.00 0.00 176.35 173.86 3iyl s PRO 1268N -2.75 1.65 -0.37 1.29 0.02 -1.26 -4.85 135.00 128.74 3iyl s PRO 1268Ca 0.65 1.55 -0.38 0.00 0.02 0.00 0.00 61.00 62.83 3iyl s PRO 1268Cb -0.29 -1.80 -0.14 0.00 0.02 0.00 0.00 34.50 32.29 3iyl s PRO 1268CO 0.35 -2.17 2.06 0.00 -0.33 0.00 0.00 177.00 176.92 3iyl n ALA 1269N -3.57 0.56 -1.22 -1.55 0.00 -1.26 -1.61 120.51 111.87 3iyl n ALA 1269Ca 0.12 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3iyl n ALA 1269Cb 0.52 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.61 3iyl n ALA 1269CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iyl n GLY 1270N 6.16 0.78 3.16 0.00 0.00 -1.26 -4.76 105.19 109.27 3iyl n GLY 1270Ca 0.41 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 3iyl n GLY 1270CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iyl s VAL 1271N -2.00 1.65 0.30 1.61 1.01 -0.63 -3.04 120.40 119.30 3iyl s VAL 1271Ca 0.00 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.11 3iyl s VAL 1271Cb 0.00 -1.43 -0.00 0.00 0.00 0.00 0.00 36.38 34.95 3iyl s VAL 1271CO 0.00 0.47 0.44 0.00 0.00 0.00 0.00 175.10 176.01 3iyl s ALA 1272N 0.20 0.45 0.39 5.51 0.00 -1.15 -4.74 121.76 122.42 3iyl s ALA 1272Ca -0.10 -1.31 -0.23 0.00 0.00 0.00 0.00 51.96 50.32 3iyl s ALA 1272Cb -0.14 1.15 -0.10 0.00 0.00 0.00 0.00 23.12 24.02 3iyl s ALA 1272CO 0.05 -0.79 0.96 -0.51 0.00 0.00 0.00 175.76 175.47 3iyl s LEU 1273N -3.15 4.11 0.83 0.00 2.01 -1.26 -0.43 118.68 120.79 3iyl s LEU 1273Ca 0.29 1.79 -0.12 0.00 0.01 0.00 0.00 54.13 56.10 3iyl s LEU 1273Cb 0.00 -4.30 0.09 0.00 0.01 0.00 0.00 46.19 41.99 3iyl s LEU 1273CO 0.15 -0.28 1.15 0.00 1.01 0.00 0.00 176.35 178.38 3iyl s ALA 1274N -1.90 2.33 0.16 4.21 0.00 -0.97 -4.77 121.76 120.82 3iyl s ALA 1274Ca 0.57 -0.53 -0.09 0.00 0.00 0.00 0.00 51.96 51.92 3iyl s ALA 1274Cb -0.14 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 19.97 3iyl s ALA 1274CO 0.19 -1.83 1.48 0.00 0.00 0.00 0.00 175.76 175.59 3iyl h ALA 1275N -1.17 0.60 -5.36 0.00 0.00 -1.97 -3.45 119.26 107.90 3iyl h ALA 1275Ca -0.48 -0.48 -0.30 0.00 0.00 0.00 0.00 54.91 53.65 3iyl h ALA 1275Cb 1.32 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3iyl h ALA 1275CO 0.64 0.68 -0.08 1.28 0.00 0.00 0.00 179.25 181.76 3iyl n LEU 1276N -4.03 0.00 -2.65 0.00 4.32 -1.26 -5.05 117.00 108.33 3iyl n LEU 1276Ca -0.03 -1.55 -0.24 0.00 -0.02 0.00 0.00 56.01 54.17 3iyl n LEU 1276Cb 0.57 -0.17 -0.01 0.00 -1.62 0.00 0.00 43.42 42.20 3iyl n LEU 1276CO 0.48 -0.56 0.12 -1.20 -1.22 0.00 0.00 177.39 175.01 3iyl n SER 1277N -2.35 4.07 0.32 -1.43 7.64 -1.26 -4.56 113.62 116.04 3iyl n SER 1277Ca 0.06 -3.55 0.07 0.00 1.01 0.00 0.00 58.87 56.45 3iyl n SER 1277Cb 0.36 -0.50 0.36 0.00 -1.01 0.00 0.00 64.21 63.42 3iyl n SER 1277CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3iyl h THR 1278N 2.65 0.00 -1.59 0.44 2.02 -1.86 -3.39 112.91 111.17 3iyl h THR 1278Ca 0.20 0.00 -0.68 0.00 0.77 0.00 0.00 66.41 66.70 3iyl h THR 1278Cb 0.85 0.29 0.08 0.00 -1.74 0.00 0.00 68.15 67.64 3iyl h THR 1278CO 0.78 0.00 0.02 -0.24 0.37 0.00 0.00 175.52 176.45 3iyl n SER 1279N -2.60 0.45 -0.22 4.18 2.88 -1.26 -3.80 113.62 113.25 3iyl n SER 1279Ca -0.01 1.15 0.26 0.00 -1.33 0.00 0.00 58.87 58.94 3iyl n SER 1279Cb 0.69 -1.10 0.66 0.00 -0.75 0.00 0.00 64.21 63.71 3iyl n SER 1279CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3iyl h VAL 1280N 2.26 0.56 0.00 2.46 2.07 -1.80 0.34 116.25 122.14 3iyl h VAL 1280Ca -0.41 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3iyl h VAL 1280Cb 1.38 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3iyl h VAL 1280CO 0.65 0.02 -0.02 0.00 0.02 0.00 0.00 177.57 178.24 3iyl n ALA 1281N -2.65 2.37 0.00 1.67 0.00 -1.26 -2.19 120.51 118.45 3iyl n ALA 1281Ca 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3iyl n ALA 1281Cb 0.92 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.91 3iyl n ALA 1281CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3iyl n THR 1282N -1.67 0.00 -1.35 0.00 5.66 0.11 -4.65 114.28 112.38 3iyl n THR 1282Ca 0.07 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 61.01 3iyl n THR 1282Cb 0.36 0.00 0.21 0.00 -1.55 0.00 0.00 70.33 69.35 3iyl n THR 1282CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3iyl n GLN 1283N -1.67 2.10 -4.05 1.09 10.64 -1.26 -4.89 117.38 119.34 3iyl n GLN 1283Ca 0.00 -3.12 -0.12 0.00 -1.83 0.00 0.00 57.00 51.94 3iyl n GLN 1283Cb 0.00 -1.89 -0.11 0.00 -0.86 0.00 0.00 30.24 27.38 3iyl n GLN 1283CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3iyl s TYR 1284N -3.20 0.58 0.79 2.61 2.02 -1.26 -5.16 117.35 113.74 3iyl s TYR 1284Ca 0.47 -0.56 -0.11 0.00 -0.37 0.00 0.00 57.07 56.50 3iyl s TYR 1284Cb 0.41 -0.36 0.07 0.00 -0.40 0.00 0.00 41.96 41.68 3iyl s TYR 1284CO 0.03 -0.12 1.09 -1.25 -1.57 0.00 0.00 175.55 173.72 3iyl s PRO 1285N -1.79 2.11 -0.45 -1.71 0.04 -1.26 -4.52 135.00 127.42 3iyl s PRO 1285Ca -0.09 0.85 0.04 0.00 0.04 0.00 0.00 61.00 61.84 3iyl s PRO 1285Cb -0.08 -1.90 0.17 0.00 0.04 0.00 0.00 34.50 32.72 3iyl s PRO 1285CO -0.01 -1.66 0.34 -0.08 0.04 0.00 0.00 177.00 175.64 3iyl s THR 1286N -3.03 0.70 0.27 1.26 -1.32 -1.26 -4.47 115.64 107.79 3iyl s THR 1286Ca 0.61 -2.78 -0.30 0.00 -1.21 0.00 0.00 61.69 58.01 3iyl s THR 1286Cb -0.16 -1.49 -0.13 0.00 -1.51 0.00 0.00 72.50 69.21 3iyl s THR 1286CO 0.55 -1.17 1.42 -1.22 -2.21 0.00 0.00 174.62 171.99 3iyl n TYR 1287N 2.87 2.31 -3.93 9.09 4.01 -1.08 -2.29 117.16 128.14 3iyl n TYR 1287Ca 0.26 0.42 -0.35 0.00 -0.16 0.00 0.00 57.90 58.07 3iyl n TYR 1287Cb 0.45 -2.48 -0.12 0.00 -0.31 0.00 0.00 39.34 36.88 3iyl n TYR 1287CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3iyl s THR 1288N -0.24 4.43 0.44 -0.72 -4.23 0.43 -0.29 115.64 115.46 3iyl s THR 1288Ca 0.65 -0.15 0.01 0.00 -1.18 0.00 0.00 61.69 61.02 3iyl s THR 1288Cb -0.61 -3.03 -0.00 0.00 1.34 0.00 0.00 72.50 70.20 3iyl s THR 1288CO 0.52 0.40 0.65 -0.76 -0.54 0.00 0.00 174.62 174.89 3iyl s LEU 1289N 1.03 3.67 0.00 4.79 2.01 0.06 -2.95 118.68 127.30 3iyl s LEU 1289Ca 0.04 0.24 0.00 0.00 0.01 0.00 0.00 54.13 54.41 3iyl s LEU 1289Cb -0.14 -3.12 0.00 0.00 0.01 0.00 0.00 46.19 42.94 3iyl s LEU 1289CO 0.03 -0.68 0.00 -2.65 1.01 0.00 0.00 176.35 174.05 3iyl n PRO 1290N -2.04 0.00 -3.90 1.29 -0.02 -1.17 -2.86 135.00 126.30 3iyl n PRO 1290Ca 0.01 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.37 3iyl n PRO 1290Cb 0.58 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.92 3iyl n PRO 1290CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iyl s ALA 1291N -2.56 0.04 0.00 3.55 0.00 -1.26 -2.78 121.76 118.76 3iyl s ALA 1291Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.94 3iyl s ALA 1291Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.11 3iyl s ALA 1291CO 0.00 0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.18 3iyl n GLY 1292N 3.06 -0.72 2.50 0.00 0.00 -1.08 -4.98 105.19 103.97 3iyl n GLY 1292Ca -0.12 -0.41 -0.18 0.00 0.00 0.00 0.00 46.02 45.31 3iyl n GLY 1292CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3iyl n VAL 1293N 2.83 1.86 -1.57 1.61 0.24 -1.26 -4.06 118.33 117.98 3iyl n VAL 1293Ca 0.00 -4.04 -0.38 0.00 -2.04 0.00 0.00 64.34 57.88 3iyl n VAL 1293Cb 0.00 -0.39 0.05 0.00 -1.47 0.00 0.00 33.84 32.03 3iyl n VAL 1293CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3iyl n TYR 1294N -0.40 0.30 -3.70 6.34 4.01 -1.26 -3.55 117.16 118.90 3iyl n TYR 1294Ca 0.27 0.44 -0.30 0.00 -0.16 0.00 0.00 57.90 58.15 3iyl n TYR 1294Cb 0.77 -2.07 -0.14 0.00 -0.31 0.00 0.00 39.34 37.59 3iyl n TYR 1294CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3iyl s GLU 1295N -2.54 1.05 0.19 -0.72 2.02 -1.19 -4.87 118.70 112.64 3iyl s GLU 1295Ca 0.74 -1.66 -0.33 0.00 0.02 0.00 0.00 54.97 53.74 3iyl s GLU 1295Cb -0.42 -2.16 -0.13 0.00 0.10 0.00 0.00 34.13 31.51 3iyl s GLU 1295CO 0.49 -1.11 1.58 0.98 0.02 0.00 0.00 175.26 177.23 3iyl n TYR 1296N 4.01 2.40 -3.57 1.61 4.19 -1.26 -2.91 117.16 121.62 3iyl n TYR 1296Ca 0.05 0.25 -0.29 0.00 3.31 0.00 0.00 57.90 61.22 3iyl n TYR 1296Cb 0.37 -2.56 -0.13 0.00 0.49 0.00 0.00 39.34 37.51 3iyl n TYR 1296CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 3iyl s VAL 1297N 0.73 0.44 -2.00 2.97 1.01 -0.81 -5.00 120.40 117.75 3iyl s VAL 1297Ca 0.75 -1.56 0.17 0.00 0.00 0.00 0.00 61.98 61.34 3iyl s VAL 1297Cb -0.63 -1.33 0.49 0.00 0.00 0.00 0.00 36.38 34.91 3iyl s VAL 1297CO 0.39 -0.85 1.43 0.00 0.00 0.00 0.00 175.10 176.08