#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iyl s THR 44 N 0.00 0.00 0.00 3.45 2.01 -1.25 -4.69 115.64 115.15 3iyl s THR 44 Ca 0.00 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.29 3iyl s THR 44 Cb 0.00 -2.07 0.00 0.00 0.01 0.00 0.00 72.50 70.44 3iyl s THR 44 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 3iyl n GLY 45 N -0.49 -2.22 3.81 4.40 0.00 -1.26 -3.35 105.19 106.08 3iyl n GLY 45 Ca -0.06 -1.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 3iyl n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iyl s LYS 46 N -0.29 3.75 0.11 1.61 1.02 -1.16 -0.02 119.74 124.76 3iyl s LYS 46 Ca 0.00 1.18 -0.20 0.00 0.02 0.00 0.00 55.97 56.98 3iyl s LYS 46 Cb 0.00 -2.10 -0.07 0.00 -0.52 0.00 0.00 37.83 35.14 3iyl s LYS 46 CO 0.00 -0.45 0.61 -1.17 -0.92 0.00 0.00 175.35 173.42 3iyl s LEU 47 N -3.89 4.50 0.29 3.17 2.96 0.25 -2.91 118.68 123.05 3iyl s LEU 47 Ca 0.63 1.32 0.11 0.00 -0.22 0.00 0.00 54.13 55.97 3iyl s LEU 47 Cb -0.14 -3.06 -0.05 0.00 0.50 0.00 0.00 46.19 43.44 3iyl s LEU 47 CO 0.27 0.22 -0.11 0.26 -1.32 0.00 0.00 176.35 175.67 3iyl s TRP 48 N -1.19 2.44 -0.01 5.38 0.52 0.29 -1.84 118.94 124.52 3iyl s TRP 48 Ca 0.32 -0.33 -0.09 0.00 0.02 0.00 0.00 56.10 56.03 3iyl s TRP 48 Cb -0.19 -1.14 0.01 0.00 -1.15 0.00 0.00 33.47 31.00 3iyl s TRP 48 CO 0.20 0.65 0.18 1.03 0.02 0.00 0.00 176.95 179.04 3iyl s ARG 49 N -3.59 0.48 -0.66 4.98 0.52 -1.00 -1.51 118.95 118.18 3iyl s ARG 49 Ca 0.31 -0.24 -0.26 0.00 -0.52 0.00 0.00 55.73 55.02 3iyl s ARG 49 Cb -0.04 0.21 -0.12 0.00 0.52 0.00 0.00 34.95 35.51 3iyl s ARG 49 CO 0.17 -0.11 2.44 -2.30 0.02 0.00 0.00 175.30 175.52 3iyl n PRO 50 N 1.67 0.73 0.07 3.54 -0.02 -1.25 -2.74 135.00 136.99 3iyl n PRO 50 Ca -0.21 -0.22 0.02 0.00 -2.02 0.00 0.00 63.50 61.07 3iyl n PRO 50 Cb 0.56 -3.14 0.36 0.00 -0.02 0.00 0.00 33.50 31.26 3iyl n PRO 50 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3iyl h VAL 51 N 7.71 1.18 -0.00 -1.45 2.07 -0.34 -1.11 116.25 124.30 3iyl h VAL 51 Ca -0.14 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.65 3iyl h VAL 51 Cb 1.20 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 3iyl h VAL 51 CO 1.18 0.24 -0.01 0.61 0.02 0.00 0.00 177.57 179.61 3iyl n GLY 52 N -0.93 -0.98 0.46 2.17 0.00 -1.19 -5.01 105.19 99.71 3iyl n GLY 52 Ca 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 46.02 45.83 3iyl n GLY 52 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3iyl n THR 53 N -0.97 -0.71 0.00 2.61 -1.04 -0.42 -4.84 114.28 108.91 3iyl n THR 53 Ca 0.21 0.39 0.00 0.00 -2.04 0.00 0.00 64.05 62.61 3iyl n THR 53 Cb 0.17 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 68.03 3iyl n THR 53 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3iyl n SER 54 N -2.05 0.00 -4.58 8.00 7.64 -1.26 -4.60 113.62 116.76 3iyl n SER 54 Ca -0.01 0.00 -0.46 0.00 1.01 0.00 0.00 58.87 59.41 3iyl n SER 54 Cb 0.16 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.31 3iyl n SER 54 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 3iyl n VAL 55 N 0.00 0.38 -3.33 0.44 3.14 -1.26 -4.91 118.33 112.79 3iyl n VAL 55 Ca 0.00 -0.31 -0.45 0.00 -2.96 0.00 0.00 64.34 60.63 3iyl n VAL 55 Cb 0.00 -2.14 -0.06 0.00 -1.06 0.00 0.00 33.84 30.58 3iyl n VAL 55 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3iyl s ALA 56 N 6.86 3.57 0.35 1.55 0.00 -1.26 -4.85 121.76 127.98 3iyl s ALA 56 Ca 1.01 -2.23 0.04 0.00 0.00 0.00 0.00 51.96 50.78 3iyl s ALA 56 Cb -0.57 -3.18 0.04 0.00 0.00 0.00 0.00 23.12 19.41 3iyl s ALA 56 CO 0.43 -1.88 0.32 2.41 0.00 0.00 0.00 175.76 177.04 3iyl n THR 57 N 5.27 0.00 -0.92 0.00 -1.04 -1.26 -4.98 114.28 111.34 3iyl n THR 57 Ca -0.12 -1.32 -0.10 0.00 -2.04 0.00 0.00 64.05 60.46 3iyl n THR 57 Cb 0.43 -0.34 -0.15 0.00 -1.82 0.00 0.00 70.33 68.45 3iyl n THR 57 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3iyl n ILE 58 N -1.44 2.84 0.00 12.58 5.41 -1.26 -3.08 119.36 134.41 3iyl n ILE 58 Ca 0.02 -1.35 0.00 0.00 1.00 0.00 0.00 62.75 62.42 3iyl n ILE 58 Cb 0.39 -1.93 0.00 0.00 -0.71 0.00 0.00 39.64 37.39 3iyl n ILE 58 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3iyl n ASP 59 N 2.37 0.00 -0.82 4.38 3.85 -1.26 -4.68 116.55 120.40 3iyl n ASP 59 Ca 0.37 0.00 0.04 0.00 -0.71 0.00 0.00 54.79 54.49 3iyl n ASP 59 Cb 0.86 0.00 0.15 0.00 -1.35 0.00 0.00 41.12 40.77 3iyl n ASP 59 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3iyl n SER 60 N 0.00 2.28 -5.01 -1.12 3.41 -1.18 -4.83 113.62 107.17 3iyl n SER 60 Ca 0.00 -2.20 -0.20 0.00 -0.26 0.00 0.00 58.87 56.22 3iyl n SER 60 Cb 0.00 -0.40 0.04 0.00 -0.26 0.00 0.00 64.21 63.59 3iyl n SER 60 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3iyl s LEU 61 N -1.05 3.23 0.00 1.04 1.43 -1.25 0.35 118.68 122.42 3iyl s LEU 61 Ca 0.21 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 3iyl s LEU 61 Cb 0.14 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.47 3iyl s LEU 61 CO 0.10 -1.13 0.00 0.00 0.23 0.00 0.00 176.35 175.55 3iyl n ALA 62 N -2.06 0.00 -1.57 4.21 0.00 -1.11 -4.52 120.51 115.46 3iyl n ALA 62 Ca 0.11 0.00 -0.56 0.00 0.00 0.00 0.00 53.44 52.99 3iyl n ALA 62 Cb 0.61 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.98 3iyl n ALA 62 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3iyl n ILE 63 N -0.03 0.22 -1.78 0.00 2.08 -1.26 -2.36 119.36 116.23 3iyl n ILE 63 Ca 0.00 -0.11 -0.28 0.00 0.56 0.00 0.00 62.75 62.92 3iyl n ILE 63 Cb 0.00 -1.23 -0.08 0.00 -0.75 0.00 0.00 39.64 37.58 3iyl n ILE 63 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3iyl n VAL 64 N 5.61 1.44 -2.54 1.39 0.31 -0.77 -4.90 118.33 118.88 3iyl n VAL 64 Ca 0.35 -1.46 -0.23 0.00 -0.01 0.00 0.00 64.34 62.99 3iyl n VAL 64 Cb 0.13 -2.15 0.08 0.00 -0.91 0.00 0.00 33.84 31.00 3iyl n VAL 64 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3iyl s SER 65 N 6.73 4.65 0.00 4.52 0.15 -1.26 -4.13 113.70 124.36 3iyl s SER 65 Ca 0.70 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.20 3iyl s SER 65 Cb 0.01 -0.41 0.00 0.00 -1.71 0.00 0.00 66.02 63.92 3iyl s SER 65 CO 0.16 -1.64 0.00 -0.90 1.20 0.00 0.00 173.24 172.06 3iyl n ASP 66 N -2.72 0.00 0.19 5.45 5.75 -0.98 -4.98 116.55 119.27 3iyl n ASP 66 Ca 0.12 0.00 0.06 0.00 -0.01 0.00 0.00 54.79 54.96 3iyl n ASP 66 Cb 0.60 0.00 0.31 0.00 -1.03 0.00 0.00 41.12 41.01 3iyl n ASP 66 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 3iyl h ARG 67 N 0.00 0.00 -0.00 0.11 0.11 -2.06 0.22 114.38 112.76 3iyl h ARG 67 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3iyl h ARG 67 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 3iyl h ARG 67 CO 0.00 0.00 -0.58 1.19 0.10 0.00 0.00 179.97 180.68 3iyl n PHE 68 N -2.11 0.00 0.00 4.08 3.72 -1.26 -5.03 117.46 116.87 3iyl n PHE 68 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3iyl n PHE 68 Cb 0.46 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 3iyl n PHE 68 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iyl n GLY 69 N 1.28 -0.43 3.47 1.37 0.00 0.77 -0.85 105.19 110.79 3iyl n GLY 69 Ca 0.04 -2.07 -0.34 0.00 0.00 0.00 0.00 46.02 43.65 3iyl n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3iyl s GLN 70 N 0.00 3.63 -0.10 1.61 -0.21 -1.26 -2.33 119.66 121.01 3iyl s GLN 70 Ca 0.00 -0.53 -0.29 0.00 0.02 0.00 0.00 55.36 54.56 3iyl s GLN 70 Cb 0.00 -2.98 -0.05 0.00 1.00 0.00 0.00 33.01 30.98 3iyl s GLN 70 CO 0.00 0.13 1.69 0.71 -2.12 0.00 0.00 175.29 175.71 3iyl s TYR 71 N 0.66 1.92 -0.11 0.91 2.02 -1.26 -2.76 117.35 118.74 3iyl s TYR 71 Ca -0.02 0.25 -0.03 0.00 -0.37 0.00 0.00 57.07 56.90 3iyl s TYR 71 Cb -0.14 -3.95 -0.03 0.00 -0.40 0.00 0.00 41.96 37.43 3iyl s TYR 71 CO 0.02 -3.76 0.01 -1.54 -1.57 0.00 0.00 175.55 168.71 3iyl s SER 72 N 3.87 5.25 0.46 2.29 1.04 -0.95 -0.59 113.70 125.07 3iyl s SER 72 Ca 0.75 0.10 -0.24 0.00 0.48 0.00 0.00 55.95 57.04 3iyl s SER 72 Cb -0.32 -1.61 -0.07 0.00 0.10 0.00 0.00 66.02 64.12 3iyl s SER 72 CO 0.30 0.32 1.33 0.12 0.98 0.00 0.00 173.24 176.29 3iyl s PHE 73 N -0.52 2.59 -0.89 5.02 5.36 0.97 -1.54 117.98 128.97 3iyl s PHE 73 Ca 0.09 1.38 -0.01 0.00 -0.96 0.00 0.00 56.93 57.43 3iyl s PHE 73 Cb -0.12 -3.72 0.23 0.00 -0.34 0.00 0.00 43.02 39.06 3iyl s PHE 73 CO 0.02 -2.43 0.82 0.28 -1.46 0.00 0.00 175.22 172.45 3iyl n VAL 74 N -0.36 3.08 -1.30 3.12 0.31 -0.66 -4.61 118.33 117.91 3iyl n VAL 74 Ca 0.06 -5.17 -0.36 0.00 -0.01 0.00 0.00 64.34 58.86 3iyl n VAL 74 Cb 0.44 -2.34 0.07 0.00 -0.91 0.00 0.00 33.84 31.10 3iyl n VAL 74 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3iyl n ASN 75 N 2.13 -1.04 -0.35 4.52 0.23 -1.26 -4.70 115.26 114.79 3iyl n ASN 75 Ca 0.23 0.62 -0.01 0.00 -0.53 0.00 0.00 54.58 54.88 3iyl n ASN 75 Cb 0.37 -1.23 0.04 0.00 -2.08 0.00 0.00 39.78 36.88 3iyl n ASN 75 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 3iyl n GLU 76 N -0.72 -0.21 0.02 -3.83 0.00 -1.26 -1.51 120.64 113.13 3iyl n GLU 76 Ca 0.10 1.40 -0.04 0.00 0.00 0.00 0.00 57.16 58.62 3iyl n GLU 76 Cb 0.50 -2.07 0.19 0.00 0.00 0.00 0.00 31.44 30.05 3iyl n GLU 76 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 3iyl h GLY 77 N 0.00 0.51 2.00 8.31 0.00 -2.01 -2.56 103.07 109.33 3iyl h GLY 77 Ca 0.32 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3iyl h GLY 77 CO -0.90 0.39 0.00 -0.13 0.00 0.00 0.00 176.54 175.90 3iyl n MET 78 N -4.11 0.08 0.10 4.80 0.00 -0.57 -0.87 117.12 116.55 3iyl n MET 78 Ca -0.01 0.32 0.06 0.00 -0.00 0.00 0.00 57.70 58.07 3iyl n MET 78 Cb 0.42 -1.65 -0.00 0.00 0.00 0.00 0.00 33.22 31.99 3iyl n MET 78 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 3iyl h ARG 79 N 0.00 0.00 -0.61 2.12 2.43 -1.32 -3.25 114.38 113.74 3iyl h ARG 79 Ca 0.00 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 3iyl h ARG 79 Cb 0.29 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 3iyl h ARG 79 CO 0.00 0.20 0.09 0.93 -1.51 0.00 0.00 179.97 179.68 3iyl h GLU 80 N 0.00 1.00 0.40 0.20 3.07 -0.97 -0.38 114.58 117.90 3iyl h GLU 80 Ca -0.06 -0.26 -0.02 0.00 -0.50 0.00 0.00 59.36 58.52 3iyl h GLU 80 Cb 1.29 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 3iyl h GLU 80 CO 0.03 0.93 -0.19 1.15 -1.40 0.00 0.00 179.01 179.52 3iyl h THR 81 N 0.94 0.00 -0.03 1.13 2.02 -1.61 0.71 112.91 116.07 3iyl h THR 81 Ca 0.19 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 67.08 3iyl h THR 81 Cb 0.42 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.83 3iyl h THR 81 CO 0.01 0.00 0.14 -0.26 0.37 0.00 0.00 175.52 175.78 3iyl h PHE 82 N -0.84 0.00 0.21 3.16 0.05 -1.60 0.56 116.94 118.48 3iyl h PHE 82 Ca -0.06 0.00 -0.34 0.00 3.82 0.00 0.00 57.97 61.40 3iyl h PHE 82 Cb 0.41 0.00 0.02 0.00 2.00 0.00 0.00 35.95 38.39 3iyl h PHE 82 CO 0.04 0.00 -1.61 1.03 -0.18 0.00 0.00 178.31 177.59 3iyl h SER 83 N 0.00 0.70 0.38 2.17 0.87 -1.06 -2.62 113.55 113.98 3iyl h SER 83 Ca 0.02 -0.93 -0.06 0.00 -1.23 0.00 0.00 61.79 59.58 3iyl h SER 83 Cb 0.30 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3iyl h SER 83 CO -0.00 1.75 -0.30 0.50 -0.53 0.00 0.00 176.83 178.25 3iyl h LYS 84 N 0.09 0.00 0.01 2.24 3.64 0.20 0.64 116.57 123.38 3iyl h LYS 84 Ca -0.31 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.03 3iyl h LYS 84 Cb 2.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.92 3iyl h LYS 84 CO 0.21 0.30 -0.16 0.00 -2.27 0.00 0.00 179.45 177.52 3iyl h ALA 85 N 1.70 0.01 -0.31 5.00 0.00 -0.19 -2.92 119.26 122.56 3iyl h ALA 85 Ca -0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 3iyl h ALA 85 Cb 0.57 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3iyl h ALA 85 CO 0.04 0.03 -0.22 -0.07 0.00 0.00 0.00 179.25 179.03 3iyl h LEU 86 N -0.66 0.58 -0.77 0.00 3.38 -1.30 -2.83 115.31 113.72 3iyl h LEU 86 Ca -0.02 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.77 3iyl h LEU 86 Cb 0.97 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 3iyl h LEU 86 CO 0.03 0.80 0.50 0.15 0.09 0.00 0.00 178.44 180.01 3iyl h PHE 87 N 0.52 0.95 0.00 1.13 3.57 0.23 0.12 116.94 123.45 3iyl h PHE 87 Ca 0.08 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3iyl h PHE 87 Cb 0.66 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.08 3iyl h PHE 87 CO 0.03 0.58 0.00 -3.47 -2.23 0.00 0.00 178.31 173.22 3iyl n ASP 88 N -4.57 0.50 -0.10 0.41 2.03 -1.08 -2.44 116.55 111.30 3iyl n ASP 88 Ca 0.08 0.63 -0.24 0.00 0.52 0.00 0.00 54.79 55.78 3iyl n ASP 88 Cb 0.04 -0.74 -0.12 0.00 -0.72 0.00 0.00 41.12 39.59 3iyl n ASP 88 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 3iyl n ILE 89 N -2.06 1.57 -0.33 5.18 5.41 -0.14 -4.19 119.36 124.79 3iyl n ILE 89 Ca 0.02 -0.36 0.16 0.00 1.00 0.00 0.00 62.75 63.57 3iyl n ILE 89 Cb 0.19 -1.82 0.39 0.00 -0.71 0.00 0.00 39.64 37.69 3iyl n ILE 89 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 3iyl h ASN 90 N -0.62 0.66 -0.97 4.38 2.35 -0.76 0.42 115.58 121.04 3iyl h ASN 90 Ca -0.52 0.10 0.31 0.00 -0.55 0.00 0.00 56.30 55.64 3iyl h ASN 90 Cb 1.65 -0.02 -0.16 0.00 0.05 0.00 0.00 38.32 39.85 3iyl h ASN 90 CO -0.21 0.20 0.42 -0.03 -1.65 0.00 0.00 177.43 176.16 3iyl h MET 91 N 0.62 0.19 -1.00 0.81 4.05 -1.64 0.47 114.93 118.42 3iyl h MET 91 Ca 0.58 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.99 3iyl h MET 91 Cb 1.10 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.86 3iyl h MET 91 CO -0.36 0.13 0.00 0.91 0.23 0.00 0.00 176.91 177.81 3iyl n TRP 92 N -5.18 0.00 -0.01 1.39 7.02 0.14 -4.42 117.44 116.37 3iyl n TRP 92 Ca 0.29 -0.31 -0.10 0.00 -1.02 0.00 0.00 57.50 56.36 3iyl n TRP 92 Cb 0.94 -0.19 -0.04 0.00 -2.42 0.00 0.00 31.31 29.59 3iyl n TRP 92 CO 0.00 0.00 0.00 0.37 -2.02 0.00 0.00 177.69 176.04 3iyl h GLN 93 N 0.02 0.04 -0.00 -0.99 5.75 -0.20 -2.46 115.11 117.27 3iyl h GLN 93 Ca 0.00 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3iyl h GLN 93 Cb 0.80 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.34 3iyl h GLN 93 CO 0.00 0.03 0.07 -1.00 -2.65 0.00 0.00 178.83 175.28 3iyl h PRO 94 N 0.04 0.00 0.00 -2.39 0.13 -1.84 -1.21 132.00 126.73 3iyl h PRO 94 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3iyl h PRO 94 Cb 0.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.20 3iyl h PRO 94 CO -0.09 0.00 -1.39 -0.11 -0.23 0.00 0.00 178.00 176.18 3iyl n LEU 95 N -3.05 0.52 -0.02 1.56 7.94 -0.95 -3.30 117.00 119.69 3iyl n LEU 95 Ca -0.03 0.19 -0.17 0.00 -1.11 0.00 0.00 56.01 54.89 3iyl n LEU 95 Cb 0.14 -0.04 -0.08 0.00 0.53 0.00 0.00 43.42 43.97 3iyl n LEU 95 CO 0.19 -0.11 0.28 -0.26 -1.11 0.00 0.00 177.39 176.38 3iyl h PHE 96 N 0.00 0.89 0.02 1.96 0.04 -0.96 -2.61 116.94 116.28 3iyl h PHE 96 Ca 0.00 -0.41 -0.00 0.00 2.80 0.00 0.00 57.97 60.36 3iyl h PHE 96 Cb 0.99 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 39.01 3iyl h PHE 96 CO 0.00 1.22 -0.01 1.96 -0.60 0.00 0.00 178.31 180.88 3iyl h GLN 97 N 0.31 -0.03 -0.67 1.51 4.20 -1.67 -2.27 115.11 116.48 3iyl h GLN 97 Ca -0.06 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.79 3iyl h GLN 97 Cb 1.33 0.01 -0.12 0.00 0.30 0.00 0.00 27.48 29.00 3iyl h GLN 97 CO 0.14 0.44 -0.12 0.00 -0.67 0.00 0.00 178.83 178.62 3iyl h ALA 98 N 0.44 0.51 -0.58 3.87 0.00 -1.62 0.29 119.26 122.17 3iyl h ALA 98 Ca -0.00 0.25 -0.23 0.00 0.00 0.00 0.00 54.91 54.93 3iyl h ALA 98 Cb 0.48 0.47 -0.13 0.00 0.00 0.00 0.00 17.79 18.61 3iyl h ALA 98 CO 0.01 -0.42 0.29 0.25 0.00 0.00 0.00 179.25 179.37 3iyl n THR 99 N -5.41 2.31 -0.30 0.00 -2.24 -0.98 -4.93 114.28 102.71 3iyl n THR 99 Ca 0.09 -1.20 0.00 0.00 -2.27 0.00 0.00 64.05 60.68 3iyl n THR 99 Cb 0.37 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 3iyl n THR 99 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3iyl n LYS 100 N -0.24 -1.87 0.00 -0.78 4.76 0.10 -4.89 118.16 115.24 3iyl n LYS 100 Ca 0.33 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.92 3iyl n LYS 100 Cb 1.17 -3.20 0.00 0.00 -1.84 0.00 0.00 35.03 31.16 3iyl n LYS 100 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 3iyl n THR 101 N -0.58 0.00 -3.86 -0.18 5.66 -1.02 -4.92 114.28 109.38 3iyl n THR 101 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3iyl n THR 101 Cb 0.15 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.93 3iyl n THR 101 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3iyl n GLY 102 N 5.00 1.92 0.00 1.09 0.00 -1.26 -4.73 105.19 107.21 3iyl n GLY 102 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3iyl n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iyl n GLY 104 N 0.00 1.53 3.75 0.00 0.00 -1.26 -4.99 105.19 104.22 3iyl n GLY 104 Ca 0.00 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 3iyl n GLY 104 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3iyl s PRO 105 N -2.10 4.52 -0.66 1.61 0.02 -1.26 -4.98 135.00 132.15 3iyl s PRO 105 Ca 0.00 1.92 -0.24 0.00 0.02 0.00 0.00 61.00 62.70 3iyl s PRO 105 Cb 0.00 -3.19 0.06 0.00 0.02 0.00 0.00 34.50 31.39 3iyl s PRO 105 CO 0.00 0.00 1.02 0.42 -0.33 0.00 0.00 177.00 178.12 3iyl s ILE 106 N -0.69 4.22 -0.04 2.83 1.01 -1.26 -5.02 121.20 122.25 3iyl s ILE 106 Ca 0.49 -0.10 -0.24 0.00 0.00 0.00 0.00 60.65 60.79 3iyl s ILE 106 Cb -0.34 -4.71 -0.04 0.00 0.01 0.00 0.00 42.46 37.39 3iyl s ILE 106 CO 0.41 -1.48 0.74 -0.69 0.00 0.00 0.00 174.94 173.93 3iyl s VAL 107 N 4.37 4.97 -0.08 2.92 1.01 -1.26 -4.91 120.40 127.43 3iyl s VAL 107 Ca 0.26 1.55 0.28 0.00 0.00 0.00 0.00 61.98 64.07 3iyl s VAL 107 Cb -0.14 -4.09 0.30 0.00 0.00 0.00 0.00 36.38 32.45 3iyl s VAL 107 CO 0.13 0.26 1.86 0.25 0.00 0.00 0.00 175.10 177.60 3iyl h LEU 108 N 6.57 0.00 -0.08 3.92 5.85 -1.95 -1.55 115.31 128.07 3iyl h LEU 108 Ca -0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.30 3iyl h LEU 108 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3iyl h LEU 108 CO 0.74 0.00 0.00 -1.54 -0.34 0.00 0.00 178.44 177.30 3iyl n SER 109 N -2.54 0.07 -0.00 1.25 3.41 -1.26 -2.64 113.62 111.91 3iyl n SER 109 Ca -0.00 -1.80 0.08 0.00 -0.26 0.00 0.00 58.87 56.89 3iyl n SER 109 Cb 0.15 -0.04 -0.11 0.00 -0.26 0.00 0.00 64.21 63.95 3iyl n SER 109 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3iyl n SER 110 N -0.45 0.84 -0.00 4.04 3.41 -0.58 -4.41 113.62 116.46 3iyl n SER 110 Ca 0.00 -0.69 0.08 0.00 -0.26 0.00 0.00 58.87 58.00 3iyl n SER 110 Cb 0.02 1.19 -0.11 0.00 -0.26 0.00 0.00 64.21 65.05 3iyl n SER 110 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3iyl n PHE 111 N -1.58 0.00 -2.31 7.33 3.72 -1.08 -5.01 117.46 118.52 3iyl n PHE 111 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3iyl n PHE 111 Cb 0.32 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 3iyl n PHE 111 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3iyl n THR 112 N -1.64 0.00 -3.87 4.37 -2.24 -1.24 -4.36 114.28 105.29 3iyl n THR 112 Ca 0.01 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.69 3iyl n THR 112 Cb 0.32 -1.19 0.01 0.00 -2.10 0.00 0.00 70.33 67.37 3iyl n THR 112 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3iyl s THR 113 N 0.93 0.00 -0.51 4.28 -4.23 -0.01 -4.94 115.64 111.16 3iyl s THR 113 Ca 0.00 -1.14 0.07 0.00 -1.18 0.00 0.00 61.69 59.45 3iyl s THR 113 Cb 0.00 -2.86 0.31 0.00 1.34 0.00 0.00 72.50 71.29 3iyl s THR 113 CO 0.00 0.00 0.78 0.41 -0.54 0.00 0.00 174.62 175.27 3iyl n THR 114 N -0.54 1.55 -2.06 3.99 -1.04 -1.26 -2.80 114.28 112.11 3iyl n THR 114 Ca -0.06 -5.02 -0.26 0.00 -2.04 0.00 0.00 64.05 56.67 3iyl n THR 114 Cb 0.60 -1.37 0.17 0.00 -1.82 0.00 0.00 70.33 67.91 3iyl n THR 114 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3iyl n THR 115 N 0.39 0.00 -3.65 12.58 -1.04 -1.21 -4.68 114.28 116.67 3iyl n THR 115 Ca 0.28 -1.07 -0.13 0.00 -2.04 0.00 0.00 64.05 61.08 3iyl n THR 115 Cb 0.48 -1.37 -0.08 0.00 -1.82 0.00 0.00 70.33 67.55 3iyl n THR 115 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3iyl s SER 116 N -5.34 -0.71 0.00 8.00 1.04 -1.26 -1.14 113.70 114.29 3iyl s SER 116 Ca 0.68 1.35 0.00 0.00 0.48 0.00 0.00 55.95 58.46 3iyl s SER 116 Cb -0.02 1.35 0.00 0.00 0.10 0.00 0.00 66.02 67.45 3iyl s SER 116 CO 0.47 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.07 3iyl n GLY 117 N 2.83 -0.66 3.71 7.32 0.00 -0.56 -4.90 105.19 112.93 3iyl n GLY 117 Ca -0.14 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 3iyl n GLY 117 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iyl s TYR 118 N -3.59 3.37 -0.27 1.61 2.02 -0.57 -0.66 117.35 119.26 3iyl s TYR 118 Ca 0.00 0.26 0.03 0.00 -0.37 0.00 0.00 57.07 56.98 3iyl s TYR 118 Cb 0.00 -2.11 0.07 0.00 -0.40 0.00 0.00 41.96 39.51 3iyl s TYR 118 CO 0.00 0.28 -0.08 0.54 -1.57 0.00 0.00 175.55 174.72 3iyl s VAL 119 N 0.24 2.07 0.00 0.71 0.11 -1.12 0.10 120.40 122.52 3iyl s VAL 119 Ca 0.07 -1.67 0.00 0.00 -2.93 0.00 0.00 61.98 57.45 3iyl s VAL 119 Cb -0.12 -2.25 0.00 0.00 -1.53 0.00 0.00 36.38 32.48 3iyl s VAL 119 CO -0.01 -0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.25 3iyl n GLY 120 N 4.45 4.70 0.06 6.54 0.00 -1.15 -3.97 105.19 115.82 3iyl n GLY 120 Ca -0.11 -1.41 0.03 0.00 0.00 0.00 0.00 46.02 44.53 3iyl n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iyl n ALA 121 N -3.00 2.26 -3.37 4.61 0.00 -1.26 -3.00 120.51 116.74 3iyl n ALA 121 Ca 0.00 -0.74 -0.14 0.00 0.00 0.00 0.00 53.44 52.56 3iyl n ALA 121 Cb 0.00 -0.65 -0.09 0.00 0.00 0.00 0.00 19.45 18.71 3iyl n ALA 121 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3iyl s THR 122 N -3.11 0.01 0.13 0.00 -4.23 -1.26 -4.96 115.64 102.22 3iyl s THR 122 Ca -0.07 -0.10 -0.07 0.00 -1.18 0.00 0.00 61.69 60.26 3iyl s THR 122 Cb 0.10 -0.71 0.17 0.00 1.34 0.00 0.00 72.50 73.40 3iyl s THR 122 CO 0.86 -0.06 0.80 0.00 -0.54 0.00 0.00 174.62 175.69 3iyl n ALA 123 N 2.22 0.01 -0.03 3.99 0.00 -1.26 -0.03 120.51 125.41 3iyl n ALA 123 Ca -0.16 0.54 -0.10 0.00 0.00 0.00 0.00 53.44 53.72 3iyl n ALA 123 Cb 0.57 -0.27 -0.03 0.00 0.00 0.00 0.00 19.45 19.71 3iyl n ALA 123 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3iyl h GLY 124 N 0.00 -0.40 1.46 0.00 0.00 -1.93 -2.58 103.07 99.62 3iyl h GLY 124 Ca 0.21 0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.94 3iyl h GLY 124 CO -0.52 -0.21 -0.52 1.29 0.00 0.00 0.00 176.54 176.58 3iyl h ASP 125 N -0.36 0.00 1.24 0.19 3.04 -0.86 -3.26 116.42 116.41 3iyl h ASP 125 Ca 0.12 -0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.88 3iyl h ASP 125 Cb 0.54 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.83 3iyl h ASP 125 CO -0.41 0.01 0.00 0.00 -2.04 0.00 0.00 179.24 176.80 3iyl h ALA 126 N 2.09 1.00 0.00 4.15 0.00 -0.44 -2.83 119.26 123.23 3iyl h ALA 126 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iyl h ALA 126 Cb 0.96 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3iyl h ALA 126 CO 0.00 0.00 -0.00 1.25 0.00 0.00 0.00 179.25 180.50 3iyl h LEU 127 N 0.00 0.00 -3.86 0.00 5.85 -1.50 -2.87 115.31 112.92 3iyl h LEU 127 Ca 0.00 0.00 -0.40 0.00 0.84 0.00 0.00 57.88 58.32 3iyl h LEU 127 Cb 0.62 0.00 -0.24 0.00 0.37 0.00 0.00 40.66 41.41 3iyl h LEU 127 CO 0.00 0.00 0.48 0.47 -0.34 0.00 0.00 178.44 179.05 3iyl n ASP 128 N -3.09 3.96 -2.70 1.25 9.92 -1.07 -4.46 116.55 120.36 3iyl n ASP 128 Ca -0.01 -3.51 -0.07 0.00 -0.53 0.00 0.00 54.79 50.68 3iyl n ASP 128 Cb 0.23 -0.79 0.04 0.00 -0.64 0.00 0.00 41.12 39.96 3iyl n ASP 128 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3iyl n ASN 129 N -0.85 1.12 -4.59 -2.24 3.02 -1.09 -5.06 115.26 105.57 3iyl n ASN 129 Ca 0.52 -2.52 -0.44 0.00 -0.03 0.00 0.00 54.58 52.11 3iyl n ASN 129 Cb 1.53 -0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 40.31 3iyl n ASN 129 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3iyl n PRO 130 N -0.27 1.98 -4.79 3.52 -0.04 -1.26 -2.80 135.00 131.35 3iyl n PRO 130 Ca 0.07 0.57 -0.33 0.00 -0.04 0.00 0.00 63.50 63.77 3iyl n PRO 130 Cb 0.82 -3.13 -0.14 0.00 -0.04 0.00 0.00 33.50 31.00 3iyl n PRO 130 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3iyl s VAL 131 N 7.74 3.06 -0.18 0.52 0.11 0.17 -5.00 120.40 126.83 3iyl s VAL 131 Ca 1.00 -0.67 -0.05 0.00 -2.93 0.00 0.00 61.98 59.33 3iyl s VAL 131 Cb -0.40 -2.27 -0.03 0.00 -1.53 0.00 0.00 36.38 32.15 3iyl s VAL 131 CO 0.38 0.54 0.00 -0.89 -3.33 0.00 0.00 175.10 171.79 3iyl s THR 132 N 0.16 4.11 -1.46 5.04 2.01 -1.26 -1.50 115.64 122.74 3iyl s THR 132 Ca -0.07 -0.27 -0.06 0.00 0.31 0.00 0.00 61.69 61.60 3iyl s THR 132 Cb -0.15 -2.84 0.05 0.00 0.01 0.00 0.00 72.50 69.57 3iyl s THR 132 CO 0.05 0.46 0.66 0.59 -0.69 0.00 0.00 174.62 175.69 3iyl n ASN 133 N 3.86 -1.95 -4.01 3.53 3.02 -1.14 -4.96 115.26 113.61 3iyl n ASN 133 Ca -0.17 -0.92 -0.30 0.00 -0.03 0.00 0.00 54.58 53.16 3iyl n ASN 133 Cb 0.52 -3.41 0.21 0.00 -0.61 0.00 0.00 39.78 36.49 3iyl n ASN 133 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3iyl s GLY 134 N -3.97 1.66 -0.36 7.41 0.00 -0.29 -4.83 107.32 106.94 3iyl s GLY 134 Ca 0.27 -1.02 -0.04 0.00 0.00 0.00 0.00 44.72 43.93 3iyl s GLY 134 CO 0.87 -0.20 0.12 0.54 0.00 0.00 0.00 173.10 174.43 3iyl s VAL 135 N -3.37 3.36 0.17 1.40 0.11 -1.26 -3.28 120.40 117.53 3iyl s VAL 135 Ca 0.72 -1.60 0.07 0.00 -2.93 0.00 0.00 61.98 58.23 3iyl s VAL 135 Cb -0.08 -3.09 -0.04 0.00 -1.53 0.00 0.00 36.38 31.65 3iyl s VAL 135 CO 0.55 -0.38 0.03 -0.36 -3.33 0.00 0.00 175.10 171.60 3iyl s PHE 136 N 1.25 2.90 -0.18 1.54 0.08 -1.12 -1.66 117.98 120.79 3iyl s PHE 136 Ca 0.01 -0.12 0.00 0.00 0.12 0.00 0.00 56.93 56.95 3iyl s PHE 136 Cb -0.21 -1.40 0.01 0.00 -0.57 0.00 0.00 43.02 40.85 3iyl s PHE 136 CO -0.01 0.52 -0.17 -1.50 -0.10 0.00 0.00 175.22 173.96 3iyl s ILE 137 N -1.75 2.35 0.69 0.64 2.07 -0.59 -0.83 121.20 123.77 3iyl s ILE 137 Ca 0.28 -0.85 -0.15 0.00 -1.41 0.00 0.00 60.65 58.53 3iyl s ILE 137 Cb -0.09 -2.00 0.02 0.00 0.13 0.00 0.00 42.46 40.51 3iyl s ILE 137 CO 0.20 0.52 1.13 -0.94 -1.91 0.00 0.00 174.94 173.93 3iyl s SER 138 N 1.20 4.83 0.12 4.50 1.04 -1.26 -2.25 113.70 121.88 3iyl s SER 138 Ca 0.02 2.06 -0.32 0.00 0.48 0.00 0.00 55.95 58.20 3iyl s SER 138 Cb -0.14 -2.56 -0.09 0.00 0.10 0.00 0.00 66.02 63.33 3iyl s SER 138 CO -0.08 -1.82 1.57 0.74 0.98 0.00 0.00 173.24 174.62 3iyl h THR 139 N -0.16 0.06 -0.23 2.02 2.02 -1.54 0.20 112.91 115.28 3iyl h THR 139 Ca -0.47 0.00 0.07 0.00 0.77 0.00 0.00 66.41 66.78 3iyl h THR 139 Cb 1.26 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 3iyl h THR 139 CO 0.53 0.00 0.37 1.62 0.37 0.00 0.00 175.52 178.41 3iyl h VAL 140 N -0.55 0.24 0.12 3.16 3.04 -1.36 0.75 116.25 121.66 3iyl h VAL 140 Ca 0.05 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.55 3iyl h VAL 140 Cb 0.66 0.68 0.01 0.00 -2.01 0.00 0.00 31.29 30.63 3iyl h VAL 140 CO -0.42 0.00 -0.87 1.56 -1.01 0.00 0.00 177.57 176.83 3iyl h GLN 141 N 0.00 0.25 0.00 4.17 1.08 -1.18 -3.06 115.11 116.38 3iyl h GLN 141 Ca 0.11 -0.43 0.00 0.00 -1.45 0.00 0.00 58.65 56.88 3iyl h GLN 141 Cb 0.85 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 28.44 3iyl h GLN 141 CO -0.00 1.21 0.12 -0.89 -0.95 0.00 0.00 178.83 178.31 3iyl n ILE 142 N -4.14 1.43 -0.01 2.54 5.41 0.50 0.08 119.36 125.17 3iyl n ILE 142 Ca -0.16 0.54 -0.21 0.00 1.00 0.00 0.00 62.75 63.92 3iyl n ILE 142 Cb 0.80 -1.54 -0.13 0.00 -0.71 0.00 0.00 39.64 38.05 3iyl n ILE 142 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 3iyl h MET 143 N 0.00 0.20 0.09 0.38 2.86 -1.15 -3.30 114.93 114.00 3iyl h MET 143 Ca 0.00 -0.34 -0.00 0.00 -2.06 0.00 0.00 59.70 57.30 3iyl h MET 143 Cb 0.23 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.02 3iyl h MET 143 CO 0.00 1.16 -0.04 -0.91 1.06 0.00 0.00 176.91 178.18 3iyl h ASN 144 N -0.44 -0.10 -0.39 1.22 2.35 -0.33 0.14 115.58 118.04 3iyl h ASN 144 Ca -0.29 -0.47 0.11 0.00 -0.55 0.00 0.00 56.30 55.10 3iyl h ASN 144 Cb 1.65 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 40.03 3iyl h ASN 144 CO 0.02 0.48 0.63 0.25 -1.65 0.00 0.00 177.43 177.16 3iyl h LEU 145 N -0.74 0.00 0.00 1.61 5.85 -1.43 1.55 115.31 122.16 3iyl h LEU 145 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3iyl h LEU 145 Cb 0.57 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3iyl h LEU 145 CO 0.02 0.00 -0.01 -0.61 -0.34 0.00 0.00 178.44 177.50 3iyl h GLN 146 N 0.00 0.00 0.00 1.25 -0.00 -1.56 -3.09 115.11 111.71 3iyl h GLN 146 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.84 3iyl h GLN 146 Cb 1.45 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.93 3iyl h GLN 146 CO -0.00 0.00 0.00 0.54 0.00 0.00 0.00 178.83 179.37 3iyl n ARG 147 N -2.32 0.00 -0.06 1.69 1.74 0.47 -0.70 116.66 117.49 3iyl n ARG 147 Ca -0.00 0.42 -0.06 0.00 -0.77 0.00 0.00 57.85 57.44 3iyl n ARG 147 Cb 0.00 -1.51 -0.04 0.00 -1.02 0.00 0.00 32.46 29.89 3iyl n ARG 147 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3iyl h THR 148 N 0.00 0.50 -0.30 0.55 2.02 0.20 -1.05 112.91 114.83 3iyl h THR 148 Ca 0.00 -1.43 0.09 0.00 0.77 0.00 0.00 66.41 65.84 3iyl h THR 148 Cb 0.08 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3iyl h THR 148 CO 0.00 0.17 0.34 0.40 0.37 0.00 0.00 175.52 176.80 3iyl h ILE 149 N -1.00 0.40 0.00 3.11 2.04 -1.36 0.39 117.51 121.09 3iyl h ILE 149 Ca -0.04 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 3iyl h ILE 149 Cb 0.47 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 3iyl h ILE 149 CO -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 178.15 178.13 3iyl h ALA 150 N 1.60 -0.00 0.06 1.87 0.00 -0.96 -1.76 119.26 120.06 3iyl h ALA 150 Ca 0.14 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.65 3iyl h ALA 150 Cb 0.83 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3iyl h ALA 150 CO -0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 179.25 179.16 3iyl h ALA 151 N -0.16 -0.13 -0.95 0.00 0.00 0.25 -1.76 119.26 116.51 3iyl h ALA 151 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3iyl h ALA 151 Cb 0.82 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 3iyl h ALA 151 CO 0.00 -0.59 0.57 0.00 0.00 0.00 0.00 179.25 179.23 3iyl h ARG 152 N -0.16 1.29 -0.86 0.00 2.47 -0.45 -2.23 114.38 114.44 3iyl h ARG 152 Ca 0.01 -0.12 0.08 0.00 -1.26 0.00 0.00 59.98 58.70 3iyl h ARG 152 Cb 0.17 -0.27 -0.06 0.00 -1.65 0.00 0.00 29.97 28.16 3iyl h ARG 152 CO -0.04 0.90 0.56 1.98 0.56 0.00 0.00 179.97 183.93 3iyl h MET 153 N 1.31 0.86 0.79 0.04 4.05 -0.75 -0.40 114.93 120.82 3iyl h MET 153 Ca 0.34 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.67 3iyl h MET 153 Cb -0.05 -0.19 0.01 0.00 -0.80 0.00 0.00 31.60 30.56 3iyl h MET 153 CO -0.06 0.57 -0.38 -0.09 0.23 0.00 0.00 176.91 177.17 3iyl h ARG 154 N 0.88 -1.02 -0.76 0.39 2.43 -0.76 0.32 114.38 115.86 3iyl h ARG 154 Ca 0.39 0.07 0.07 0.00 -0.81 0.00 0.00 59.98 59.70 3iyl h ARG 154 Cb 0.34 0.23 -0.09 0.00 -0.42 0.00 0.00 29.97 30.03 3iyl h ARG 154 CO -0.15 -0.68 -0.45 -0.25 -1.51 0.00 0.00 179.97 176.93 3iyl n ASP 155 N -5.40 -0.80 -0.06 -3.80 8.00 -0.73 -1.06 116.55 112.70 3iyl n ASP 155 Ca -0.13 1.35 -0.13 0.00 0.71 0.00 0.00 54.79 56.59 3iyl n ASP 155 Cb 0.42 -0.18 -0.07 0.00 -0.02 0.00 0.00 41.12 41.27 3iyl n ASP 155 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 3iyl h VAL 156 N 0.00 1.34 -1.47 2.53 3.04 -1.15 -3.02 116.25 117.51 3iyl h VAL 156 Ca 0.12 -1.32 0.44 0.00 -1.01 0.00 0.00 66.70 64.94 3iyl h VAL 156 Cb 0.31 1.84 -0.09 0.00 -2.01 0.00 0.00 31.29 31.34 3iyl h VAL 156 CO -0.72 0.39 1.01 0.00 -1.01 0.00 0.00 177.57 177.25 3iyl h ALA 157 N 0.62 3.12 0.18 3.17 0.00 0.75 0.43 119.26 127.54 3iyl h ALA 157 Ca 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3iyl h ALA 157 Cb 0.69 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3iyl h ALA 157 CO 0.04 -1.65 -0.09 -0.07 0.00 0.00 0.00 179.25 177.48 3iyl h LEU 158 N 0.07 -0.20 -0.19 0.00 3.38 -1.20 -3.01 115.31 114.16 3iyl h LEU 158 Ca 0.78 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.81 3iyl h LEU 158 Cb 2.79 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 43.52 3iyl h LEU 158 CO -0.20 0.13 -0.30 -0.50 0.09 0.00 0.00 178.44 177.67 3iyl h TRP 159 N -0.79 -0.81 -0.56 1.13 6.55 -1.20 0.26 115.95 120.53 3iyl h TRP 159 Ca -0.02 0.04 0.16 0.00 0.95 0.00 0.00 58.89 60.02 3iyl h TRP 159 Cb 0.18 0.38 -0.02 0.00 -0.86 0.00 0.00 29.16 28.84 3iyl h TRP 159 CO 0.01 -0.37 0.79 0.37 -1.05 0.00 0.00 178.44 178.19 3iyl h GLN 160 N -0.34 0.00 0.19 0.49 -0.00 -0.33 0.85 115.11 115.97 3iyl h GLN 160 Ca 0.11 0.00 -0.31 0.00 -0.00 0.00 0.00 58.65 58.46 3iyl h GLN 160 Cb 0.52 0.00 0.02 0.00 0.00 0.00 0.00 27.48 28.02 3iyl h GLN 160 CO -0.38 0.00 -1.39 -0.22 0.00 0.00 0.00 178.83 176.84 3iyl h LYS 161 N 0.00 0.40 -0.31 1.69 3.64 -0.33 -3.13 116.57 118.53 3iyl h LYS 161 Ca 0.26 -0.68 -0.08 0.00 -1.27 0.00 0.00 60.65 58.88 3iyl h LYS 161 Cb 1.84 0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 33.91 3iyl h LYS 161 CO -0.00 1.32 -0.12 0.45 -2.27 0.00 0.00 179.45 178.83 3iyl h HIS 162 N 0.11 0.72 -0.94 1.91 3.86 0.85 -2.32 115.15 119.33 3iyl h HIS 162 Ca -0.21 -0.17 0.11 0.00 -1.16 0.00 0.00 60.37 58.95 3iyl h HIS 162 Cb 2.07 -0.17 -0.07 0.00 1.06 0.00 0.00 27.41 30.30 3iyl h HIS 162 CO 0.09 0.84 0.60 1.25 0.86 0.00 0.00 177.93 181.57 3iyl h LEU 163 N 0.39 0.84 0.33 2.43 5.85 -1.26 -3.03 115.31 120.85 3iyl h LEU 163 Ca 0.07 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3iyl h LEU 163 Cb 0.63 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.53 3iyl h LEU 163 CO 0.04 0.46 -0.16 -0.78 -0.34 0.00 0.00 178.44 177.66 3iyl h ASP 164 N 0.91 -0.37 0.00 1.25 3.58 -1.44 0.75 116.42 121.10 3iyl h ASP 164 Ca 0.46 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.73 3iyl h ASP 164 Cb 0.49 0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.64 3iyl h ASP 164 CO -0.22 0.07 0.45 0.71 -2.88 0.00 0.00 179.24 177.37 3iyl h THR 165 N -0.92 0.00 0.02 2.25 1.35 -1.31 0.35 112.91 114.65 3iyl h THR 165 Ca -0.04 0.00 -0.38 0.00 -0.55 0.00 0.00 66.41 65.43 3iyl h THR 165 Cb 0.52 0.38 -0.06 0.00 -1.73 0.00 0.00 68.15 67.26 3iyl h THR 165 CO 0.07 0.00 -2.38 0.00 -0.25 0.00 0.00 175.52 172.97 3iyl n ALA 166 N -1.66 1.36 0.09 6.62 0.00 -1.16 -3.84 120.51 121.93 3iyl n ALA 166 Ca -0.01 -1.05 -0.04 0.00 0.00 0.00 0.00 53.44 52.34 3iyl n ALA 166 Cb 0.48 -0.22 -0.02 0.00 0.00 0.00 0.00 19.45 19.70 3iyl n ALA 166 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3iyl h MET 167 N 0.01 -0.24 0.00 0.00 -1.53 0.21 -3.02 114.93 110.36 3iyl h MET 167 Ca -0.55 0.02 0.00 0.00 -3.44 0.00 0.00 59.70 55.73 3iyl h MET 167 Cb 1.96 0.05 0.00 0.00 -0.55 0.00 0.00 31.60 33.07 3iyl h MET 167 CO -0.04 -0.16 0.13 1.79 0.14 0.00 0.00 176.91 178.77 3iyl h THR 168 N -0.39 0.00 0.00 -0.77 1.35 -1.43 -1.97 112.91 109.70 3iyl h THR 168 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 3iyl h THR 168 Cb 0.19 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 67.14 3iyl h THR 168 CO 0.04 0.00 0.00 0.80 -0.25 0.00 0.00 175.52 176.11 3iyl n MET 169 N -2.40 0.61 -2.29 4.72 1.56 -1.14 -2.23 117.12 115.95 3iyl n MET 169 Ca -0.02 0.00 -0.02 0.00 -0.27 0.00 0.00 57.70 57.39 3iyl n MET 169 Cb 0.17 -1.22 -0.00 0.00 2.15 0.00 0.00 33.22 34.32 3iyl n MET 169 CO 0.00 0.00 0.00 1.47 -0.73 0.00 0.00 175.97 176.71 3iyl n LEU 170 N 0.59 -0.79 -0.54 -0.89 -0.00 -0.74 -5.00 117.00 109.64 3iyl n LEU 170 Ca 0.00 -1.61 0.00 0.00 -0.00 0.00 0.00 56.01 54.40 3iyl n LEU 170 Cb 0.27 0.86 0.00 0.00 -0.00 0.00 0.00 43.42 44.56 3iyl n LEU 170 CO 0.00 1.12 0.00 0.41 -0.00 0.00 0.00 177.39 178.92 3iyl n THR 171 N -0.41 0.00 0.77 1.47 -1.04 -0.95 -4.71 114.28 109.41 3iyl n THR 171 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 3iyl n THR 171 Cb 0.61 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.12 3iyl n THR 171 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3iyl n PRO 172 N -0.01 0.77 -3.76 -2.82 -0.04 -1.26 -4.65 135.00 123.22 3iyl n PRO 172 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 3iyl n PRO 172 Cb 0.00 -1.35 -0.17 0.00 -0.04 0.00 0.00 33.50 31.94 3iyl n PRO 172 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3iyl s ASP 173 N -0.09 2.67 0.37 3.54 1.01 -1.26 -4.67 116.67 118.24 3iyl s ASP 173 Ca 0.00 -0.67 0.08 0.00 0.71 0.00 0.00 52.55 52.67 3iyl s ASP 173 Cb 0.00 -0.62 -0.04 0.00 1.01 0.00 0.00 42.92 43.28 3iyl s ASP 173 CO 0.00 -0.27 0.24 0.27 0.21 0.00 0.00 175.17 175.62 3iyl s ILE 174 N 1.84 2.87 -0.05 0.77 -4.36 -1.26 -5.08 121.20 115.93 3iyl s ILE 174 Ca 0.00 -1.55 0.08 0.00 -0.26 0.00 0.00 60.65 58.92 3iyl s ILE 174 Cb -0.16 -3.02 0.13 0.00 1.25 0.00 0.00 42.46 40.65 3iyl s ILE 174 CO -0.07 -0.10 1.06 -1.54 0.24 0.00 0.00 174.94 174.53 3iyl n SER 175 N -1.31 0.97 -3.58 4.36 3.41 -1.26 -4.93 113.62 111.28 3iyl n SER 175 Ca -0.01 -2.45 -0.00 0.00 -0.26 0.00 0.00 58.87 56.15 3iyl n SER 175 Cb 0.62 -0.30 -0.04 0.00 -0.26 0.00 0.00 64.21 64.24 3iyl n SER 175 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iyl s ALA 176 N -1.18 -2.09 0.00 7.33 0.00 -1.26 -4.65 121.76 119.91 3iyl s ALA 176 Ca 0.14 2.28 0.00 0.00 0.00 0.00 0.00 51.96 54.38 3iyl s ALA 176 Cb 0.12 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.41 3iyl s ALA 176 CO 0.01 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.20 3iyl n GLY 177 N 5.44 -0.60 0.00 0.00 0.00 -1.26 -4.78 105.19 103.99 3iyl n GLY 177 Ca -0.11 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.91 3iyl n GLY 177 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3iyl n SER 178 N -2.56 0.39 0.00 1.61 7.64 -1.26 -4.99 113.62 114.45 3iyl n SER 178 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3iyl n SER 178 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3iyl n SER 178 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3iyl n ALA 179 N -3.00 0.00 -2.62 -0.43 0.00 -1.26 -4.95 120.51 108.25 3iyl n ALA 179 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 3iyl n ALA 179 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 3iyl n ALA 179 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3iyl n SER 180 N 0.00 0.50 -2.86 0.00 3.41 -1.26 -5.04 113.62 108.37 3iyl n SER 180 Ca 0.00 -1.39 -0.00 0.00 -0.26 0.00 0.00 58.87 57.21 3iyl n SER 180 Cb 0.00 -0.17 0.01 0.00 -0.26 0.00 0.00 64.21 63.79 3iyl n SER 180 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iyl n ASN 182 N 3.54 0.12 -0.34 0.00 0.23 -1.26 -4.58 115.26 112.96 3iyl n ASN 182 Ca 0.10 0.11 0.10 0.00 -0.53 0.00 0.00 54.58 54.36 3iyl n ASN 182 Cb 0.61 -0.16 0.21 0.00 -2.08 0.00 0.00 39.78 38.36 3iyl n ASN 182 CO 0.00 0.00 0.00 1.87 -0.93 0.00 0.00 177.26 178.20 3iyl n TRP 183 N 1.40 0.48 -0.05 -2.53 -0.00 -1.26 -2.31 117.44 113.18 3iyl n TRP 183 Ca 0.10 1.18 -0.06 0.00 -0.00 0.00 0.00 57.50 58.73 3iyl n TRP 183 Cb -0.01 -1.15 -0.04 0.00 -0.00 0.00 0.00 31.31 30.12 3iyl n TRP 183 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 177.69 178.56 3iyl h LYS 184 N 0.00 -0.17 -0.44 5.87 1.79 -1.97 -0.72 116.57 120.92 3iyl h LYS 184 Ca 0.53 0.01 0.05 0.00 -2.18 0.00 0.00 60.65 59.06 3iyl h LYS 184 Cb 0.96 0.04 -0.08 0.00 -1.58 0.00 0.00 32.23 31.57 3iyl h LYS 184 CO -0.96 -0.11 -0.49 0.77 -1.08 0.00 0.00 179.45 177.58 3iyl h SER 185 N -0.17 -1.65 -0.97 0.86 0.02 -1.62 0.05 113.55 110.06 3iyl h SER 185 Ca 0.03 0.22 0.12 0.00 -0.84 0.00 0.00 61.79 61.32 3iyl h SER 185 Cb 0.25 0.69 -0.13 0.00 0.14 0.00 0.00 62.40 63.34 3iyl h SER 185 CO -0.23 -0.32 -0.49 -0.11 -1.14 0.00 0.00 176.83 174.54 3iyl n LEU 186 N -4.99 -0.85 0.34 5.07 7.94 -1.01 0.18 117.00 123.68 3iyl n LEU 186 Ca -0.02 1.72 -0.13 0.00 -1.11 0.00 0.00 56.01 56.46 3iyl n LEU 186 Cb 0.28 -0.30 -0.06 0.00 0.53 0.00 0.00 43.42 43.87 3iyl n LEU 186 CO -0.02 -1.46 0.50 -0.07 -1.11 0.00 0.00 177.39 175.23 3iyl h LEU 187 N 0.00 -0.73 -1.17 -1.96 3.38 -0.38 -1.35 115.31 113.09 3iyl h LEU 187 Ca 0.24 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3iyl h LEU 187 Cb 0.48 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3iyl h LEU 187 CO -0.94 -0.51 0.55 0.00 0.09 0.00 0.00 178.44 177.63 3iyl h ALA 188 N -1.58 1.52 0.00 1.53 0.00 -0.33 1.00 119.26 121.40 3iyl h ALA 188 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3iyl h ALA 188 Cb 0.66 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3iyl h ALA 188 CO 0.14 -0.52 -0.17 0.35 0.00 0.00 0.00 179.25 179.05 3iyl h PHE 189 N 0.00 0.00 0.00 0.00 3.57 0.20 -3.33 116.94 117.38 3iyl h PHE 189 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 3iyl h PHE 189 Cb 1.09 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.83 3iyl h PHE 189 CO 0.00 0.25 -0.01 0.00 -2.23 0.00 0.00 178.31 176.32 3iyl h ALA 190 N -0.80 1.18 -0.15 2.41 0.00 0.05 0.37 119.26 122.33 3iyl h ALA 190 Ca -0.02 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3iyl h ALA 190 Cb 0.34 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3iyl h ALA 190 CO -0.01 0.02 0.23 0.87 0.00 0.00 0.00 179.25 180.36 3iyl h LYS 191 N 0.00 0.00 0.00 0.00 1.57 -1.00 -2.97 116.57 114.17 3iyl h LYS 191 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3iyl h LYS 191 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3iyl h LYS 191 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 3iyl n ASP 192 N -3.50 0.00 -0.03 0.86 9.92 0.13 -4.75 116.55 119.17 3iyl n ASP 192 Ca 0.01 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.26 3iyl n ASP 192 Cb 0.34 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.81 3iyl n ASP 192 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 3iyl n ILE 193 N -0.04 -0.05 -1.10 0.53 2.08 -1.13 -4.51 119.36 115.14 3iyl n ILE 193 Ca 0.00 0.46 -0.48 0.00 0.56 0.00 0.00 62.75 63.29 3iyl n ILE 193 Cb 0.00 -0.59 -0.09 0.00 -0.75 0.00 0.00 39.64 38.21 3iyl n ILE 193 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 3iyl n LEU 194 N -2.82 0.70 -4.77 1.39 4.77 -1.12 -4.84 117.00 110.31 3iyl n LEU 194 Ca 0.00 0.67 -0.40 0.00 -0.03 0.00 0.00 56.01 56.24 3iyl n LEU 194 Cb 0.02 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 3iyl n LEU 194 CO -0.01 -0.61 1.09 -2.16 -1.33 0.00 0.00 177.39 174.37 3iyl s PRO 195 N 3.68 3.99 0.00 3.23 0.04 -1.26 -4.86 135.00 139.82 3iyl s PRO 195 Ca 0.87 2.46 0.00 0.00 0.04 0.00 0.00 61.00 64.36 3iyl s PRO 195 Cb -1.14 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 30.54 3iyl s PRO 195 CO 0.55 -0.59 0.25 1.28 0.04 0.00 0.00 177.00 178.53 3iyl n LEU 196 N 0.26 0.00 -0.39 -3.56 7.99 -1.26 -1.81 117.00 118.23 3iyl n LEU 196 Ca 0.02 0.03 0.08 0.00 -0.01 0.00 0.00 56.01 56.13 3iyl n LEU 196 Cb 0.41 -0.03 0.16 0.00 -0.11 0.00 0.00 43.42 43.85 3iyl n LEU 196 CO 0.61 -0.03 0.44 0.47 -1.51 0.00 0.00 177.39 177.37 3iyl n ASP 197 N -0.75 1.91 0.00 -1.43 8.00 -1.26 -4.99 116.55 118.03 3iyl n ASP 197 Ca 0.00 -3.39 0.00 0.00 0.71 0.00 0.00 54.79 52.11 3iyl n ASP 197 Cb 0.06 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 3iyl n ASP 197 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3iyl n ASN 198 N -1.16 0.00 0.00 -2.24 5.15 -0.75 -5.01 115.26 111.25 3iyl n ASN 198 Ca 0.16 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.14 3iyl n ASN 198 Cb 0.69 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.94 3iyl n ASN 198 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 3iyl n LEU 199 N 0.00 0.00 -0.41 1.20 -0.00 -1.26 -4.90 117.00 111.63 3iyl n LEU 199 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.14 3iyl n LEU 199 Cb 0.00 0.00 0.41 0.00 -0.00 0.00 0.00 43.42 43.83 3iyl n LEU 199 CO 0.00 0.19 0.73 0.00 -0.00 0.00 0.00 177.39 178.31 3iyl n LEU 201 N -0.13 0.00 0.18 0.00 4.77 -1.26 -3.42 117.00 117.14 3iyl n LEU 201 Ca 0.15 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.24 3iyl n LEU 201 Cb 0.37 0.29 0.11 0.00 -2.33 0.00 0.00 43.42 41.86 3iyl n LEU 201 CO 0.21 0.29 0.53 0.74 -1.33 0.00 0.00 177.39 177.84 3iyl h THR 202 N 0.00 0.05 0.00 -5.08 2.02 -1.92 -3.40 112.91 104.58 3iyl h THR 202 Ca -0.32 -1.07 -0.12 0.00 0.77 0.00 0.00 66.41 65.66 3iyl h THR 202 Cb 1.68 1.87 -0.27 0.00 -1.74 0.00 0.00 68.15 69.69 3iyl h THR 202 CO 0.02 0.03 -0.85 -1.22 0.37 0.00 0.00 175.52 173.86 3iyl n TYR 203 N -2.97 0.00 0.00 3.16 4.01 -1.18 -5.04 117.16 115.14 3iyl n TYR 203 Ca 0.02 -0.51 0.00 0.00 -0.16 0.00 0.00 57.90 57.25 3iyl n TYR 203 Cb 0.55 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 3iyl n TYR 203 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3iyl n PRO 204 N 0.19 0.00 -2.49 -0.72 -0.01 -1.22 0.24 135.00 130.99 3iyl n PRO 204 Ca 0.06 0.00 -0.35 0.00 -0.01 0.00 0.00 63.50 63.20 3iyl n PRO 204 Cb 1.00 0.00 0.01 0.00 -0.01 0.00 0.00 33.50 34.50 3iyl n PRO 204 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 175.50 175.76 3iyl n ASN 205 N -2.69 6.31 0.00 2.55 0.23 -1.26 -0.50 115.26 119.89 3iyl n ASN 205 Ca 0.00 -3.73 0.00 0.00 -0.53 0.00 0.00 54.58 50.32 3iyl n ASN 205 Cb 0.00 -0.88 0.00 0.00 -2.08 0.00 0.00 39.78 36.82 3iyl n ASN 205 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 3iyl n GLU 206 N -0.30 4.06 -0.11 -3.83 4.07 0.66 -4.68 120.64 120.51 3iyl n GLU 206 Ca 0.44 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 57.39 3iyl n GLU 206 Cb 0.35 -0.34 -0.10 0.00 -0.06 0.00 0.00 31.44 31.30 3iyl n GLU 206 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 3iyl n PHE 207 N 0.00 0.00 -0.21 4.31 3.72 -0.59 -3.90 117.46 120.78 3iyl n PHE 207 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3iyl n PHE 207 Cb 0.00 -0.81 0.11 0.00 -0.94 0.00 0.00 39.48 37.84 3iyl n PHE 207 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 3iyl h TYR 208 N 0.00 0.46 -0.05 1.38 3.20 -1.00 0.68 116.97 121.64 3iyl h TYR 208 Ca -0.47 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.36 3iyl h TYR 208 Cb 1.74 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.88 3iyl h TYR 208 CO 0.02 0.14 -0.30 -0.91 -1.64 0.00 0.00 178.16 175.48 3iyl h ASN 209 N 0.46 0.09 -0.02 -2.11 2.35 -1.82 0.38 115.58 114.90 3iyl h ASN 209 Ca 0.31 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 56.01 3iyl h ASN 209 Cb 0.36 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.71 3iyl h ASN 209 CO -0.29 0.39 -0.07 0.58 -1.65 0.00 0.00 177.43 176.38 3iyl h VAL 210 N 0.08 1.47 0.10 2.81 2.07 -1.39 -3.35 116.25 118.04 3iyl h VAL 210 Ca 0.01 -1.51 0.02 0.00 0.82 0.00 0.00 66.70 66.04 3iyl h VAL 210 Cb 0.57 2.42 -0.04 0.00 -1.52 0.00 0.00 31.29 32.72 3iyl h VAL 210 CO 0.04 0.40 -0.34 0.00 0.02 0.00 0.00 177.57 177.70 3iyl h ALA 211 N 0.40 -0.57 -1.65 1.67 0.00 0.89 -2.31 119.26 117.68 3iyl h ALA 211 Ca -0.00 -0.05 0.48 0.00 0.00 0.00 0.00 54.91 55.34 3iyl h ALA 211 Cb 0.70 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 3iyl h ALA 211 CO 0.02 -0.88 1.30 0.82 0.00 0.00 0.00 179.25 180.50 3iyl h ILE 212 N -0.56 0.06 -0.02 0.00 2.04 -0.40 1.54 117.51 120.18 3iyl h ILE 212 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.89 3iyl h ILE 212 Cb 0.59 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3iyl h ILE 212 CO -0.21 0.00 0.00 1.41 0.00 0.00 0.00 178.15 179.35 3iyl n HIS 213 N -3.81 0.01 0.00 1.37 8.25 -0.87 -4.07 115.22 116.10 3iyl n HIS 213 Ca 0.37 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.83 3iyl n HIS 213 Cb 1.80 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.91 3iyl n HIS 213 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3iyl n ARG 214 N -0.04 0.91 -3.99 -0.41 1.74 0.52 -2.61 116.66 112.77 3iyl n ARG 214 Ca 0.20 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.97 3iyl n ARG 214 Cb 0.31 -0.97 -0.15 0.00 -1.02 0.00 0.00 32.46 30.63 3iyl n ARG 214 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3iyl s TYR 215 N -1.89 3.56 -1.24 -1.55 2.02 -0.70 -4.93 117.35 112.61 3iyl s TYR 215 Ca 0.00 -2.99 0.00 0.00 -0.37 0.00 0.00 57.07 53.71 3iyl s TYR 215 Cb 0.00 -2.85 0.00 0.00 -0.40 0.00 0.00 41.96 38.71 3iyl s TYR 215 CO 0.00 -0.91 0.26 -0.35 -1.57 0.00 0.00 175.55 172.98 3iyl n PRO 216 N 4.04 0.42 -0.09 -1.71 -0.04 -1.26 -1.76 135.00 134.60 3iyl n PRO 216 Ca 0.04 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.31 3iyl n PRO 216 Cb 0.40 -1.16 -0.11 0.00 -0.04 0.00 0.00 33.50 32.59 3iyl n PRO 216 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iyl h ALA 217 N 1.52 0.19 -1.67 0.55 0.00 -1.92 -3.44 119.26 114.49 3iyl h ALA 217 Ca 0.00 -1.00 -0.55 0.00 0.00 0.00 0.00 54.91 53.35 3iyl h ALA 217 Cb 0.16 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 3iyl h ALA 217 CO 0.00 0.52 1.13 -0.51 0.00 0.00 0.00 179.25 180.38 3iyl s LEU 218 N -7.97 3.46 -0.30 0.00 1.43 -0.72 -4.99 118.68 109.59 3iyl s LEU 218 Ca -0.26 0.55 -0.09 0.00 -1.03 0.00 0.00 54.13 53.31 3iyl s LEU 218 Cb 0.04 -3.21 -0.01 0.00 0.03 0.00 0.00 46.19 43.04 3iyl s LEU 218 CO 0.60 -1.67 0.12 -0.54 0.23 0.00 0.00 176.35 175.09 3iyl s LYS 219 N 5.46 3.34 0.41 1.70 1.02 -1.26 -4.75 119.74 125.65 3iyl s LYS 219 Ca 0.59 -0.70 -0.25 0.00 0.02 0.00 0.00 55.97 55.63 3iyl s LYS 219 Cb -0.13 -3.48 -0.08 0.00 -0.52 0.00 0.00 37.83 33.62 3iyl s LYS 219 CO 0.28 -0.38 1.18 -1.25 -0.92 0.00 0.00 175.35 174.26 3iyl s PRO 220 N 1.59 4.00 -0.09 -1.68 0.04 -1.26 -4.90 135.00 132.70 3iyl s PRO 220 Ca 0.04 1.85 -0.30 0.00 0.04 0.00 0.00 61.00 62.64 3iyl s PRO 220 Cb -0.17 -2.64 -0.03 0.00 0.04 0.00 0.00 34.50 31.70 3iyl s PRO 220 CO 0.05 -0.37 1.28 0.20 0.04 0.00 0.00 177.00 178.20 3iyl s GLY 221 N -1.14 1.85 0.21 0.56 0.00 -1.26 -4.70 107.32 102.84 3iyl s GLY 221 Ca 0.58 0.61 -0.32 0.00 0.00 0.00 0.00 44.72 45.59 3iyl s GLY 221 CO 0.39 2.42 1.54 -2.01 0.00 0.00 0.00 173.10 175.44 3iyl n ASN 222 N 5.91 3.23 -0.01 1.64 2.85 -0.46 -4.82 115.26 123.60 3iyl n ASN 222 Ca 0.13 1.11 -0.09 0.00 -0.11 0.00 0.00 54.58 55.62 3iyl n ASN 222 Cb 0.45 -1.47 -0.03 0.00 1.24 0.00 0.00 39.78 39.96 3iyl n ASN 222 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3iyl h PRO 223 N 5.28 -0.10 -2.19 1.20 0.11 -1.92 -2.04 132.00 132.33 3iyl h PRO 223 Ca -0.45 0.01 -0.79 0.00 0.11 0.00 0.00 66.00 64.88 3iyl h PRO 223 Cb 1.25 0.02 -0.28 0.00 0.11 0.00 0.00 31.00 32.10 3iyl h PRO 223 CO 0.84 -0.07 0.92 -0.25 -0.21 0.00 0.00 178.00 179.23 3iyl n ASP 224 N -5.25 7.19 0.00 -2.05 8.00 -1.26 -3.65 116.55 119.54 3iyl n ASP 224 Ca -0.03 -3.72 0.00 0.00 0.71 0.00 0.00 54.79 51.75 3iyl n ASP 224 Cb 0.17 -1.10 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 3iyl n ASP 224 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 3iyl n THR 225 N -0.17 0.00 -3.46 -3.53 5.66 -1.25 -5.05 114.28 106.47 3iyl n THR 225 Ca 0.47 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 61.21 3iyl n THR 225 Cb 0.27 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.00 3iyl n THR 225 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3iyl n LYS 226 N 0.00 -0.84 -4.21 1.09 4.01 -0.77 -4.94 118.16 112.51 3iyl n LYS 226 Ca 0.00 0.08 -0.14 0.00 -0.51 0.00 0.00 58.31 57.75 3iyl n LYS 226 Cb 0.00 -2.89 -0.10 0.00 -0.51 0.00 0.00 35.03 31.53 3iyl n LYS 226 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 3iyl s LEU 227 N -5.08 2.48 0.00 -0.35 2.96 -1.25 -4.87 118.68 112.58 3iyl s LEU 227 Ca 0.46 -0.94 0.00 0.00 -0.22 0.00 0.00 54.13 53.42 3iyl s LEU 227 Cb -0.27 -0.28 0.00 0.00 0.50 0.00 0.00 46.19 46.14 3iyl s LEU 227 CO 0.65 -0.33 0.00 -2.65 -1.32 0.00 0.00 176.35 172.70 3iyl n PRO 228 N 0.09 0.45 0.00 0.98 -0.02 -1.26 -1.36 135.00 133.88 3iyl n PRO 228 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 3iyl n PRO 228 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.08 3iyl n PRO 228 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3iyl n ASP 229 N 0.00 0.00 0.00 2.55 -0.08 -1.26 -4.07 116.55 113.68 3iyl n ASP 229 Ca 0.00 -0.67 0.00 0.00 -1.51 0.00 0.00 54.79 52.61 3iyl n ASP 229 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3iyl n ASP 229 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3iyl n ALA 230 N 0.00 0.00 -1.71 -1.67 0.00 -1.26 -4.76 120.51 111.11 3iyl n ALA 230 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 3iyl n ALA 230 Cb 0.17 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.64 3iyl n ALA 230 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3iyl s GLN 231 N 0.00 3.07 -0.13 0.00 -1.52 -1.26 -5.04 119.66 114.78 3iyl s GLN 231 Ca 0.00 1.68 0.01 0.00 -1.95 0.00 0.00 55.36 55.10 3iyl s GLN 231 Cb 0.00 -1.96 -0.01 0.00 -0.22 0.00 0.00 33.01 30.82 3iyl s GLN 231 CO 0.00 -1.10 -0.16 0.00 -0.25 0.00 0.00 175.29 173.78 3iyl s ALA 232 N -1.78 2.49 -0.91 6.09 0.00 -1.26 -5.04 121.76 121.36 3iyl s ALA 232 Ca 0.74 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 51.76 3iyl s ALA 232 Cb -0.26 -1.12 0.27 0.00 0.00 0.00 0.00 23.12 22.00 3iyl s ALA 232 CO 0.32 0.21 1.05 0.72 0.00 0.00 0.00 175.76 178.07 3iyl n HIS 233 N 3.61 3.40 -3.04 0.00 -0.00 -1.26 -4.98 115.22 112.96 3iyl n HIS 233 Ca -0.18 -3.55 -0.36 0.00 -0.00 0.00 0.00 57.72 53.62 3iyl n HIS 233 Cb 0.53 -1.05 -0.06 0.00 -0.00 0.00 0.00 29.99 29.40 3iyl n HIS 233 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 3iyl s PRO 234 N -2.22 4.32 0.56 -0.41 0.04 -1.26 -4.84 135.00 131.18 3iyl s PRO 234 Ca 0.33 0.95 0.41 0.00 0.04 0.00 0.00 61.00 62.73 3iyl s PRO 234 Cb 0.03 -2.88 1.58 0.00 0.04 0.00 0.00 34.50 33.28 3iyl s PRO 234 CO -0.00 0.38 1.69 -0.07 0.04 0.00 0.00 177.00 179.04 3iyl h LEU 235 N 3.41 0.00 -2.58 -3.56 -0.00 -1.79 0.30 115.31 111.09 3iyl h LEU 235 Ca -0.48 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.25 3iyl h LEU 235 Cb 1.19 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.76 3iyl h LEU 235 CO 0.65 0.00 0.19 0.61 -0.00 0.00 0.00 178.44 179.90 3iyl n GLY 236 N -1.81 2.73 0.13 0.83 0.00 -1.26 -4.73 105.19 101.08 3iyl n GLY 236 Ca 0.32 -0.34 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 3iyl n GLY 236 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3iyl n GLU 237 N -0.00 -0.13 0.09 1.61 4.07 0.11 -0.51 120.64 125.88 3iyl n GLU 237 Ca 0.18 0.46 -0.07 0.00 -0.06 0.00 0.00 57.16 57.67 3iyl n GLU 237 Cb 0.85 -0.68 -0.04 0.00 -0.06 0.00 0.00 31.44 31.51 3iyl n GLU 237 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3iyl h VAL 238 N 0.00 0.26 -0.71 6.31 2.07 -1.87 -2.97 116.25 119.34 3iyl h VAL 238 Ca 0.05 -0.87 0.15 0.00 0.82 0.00 0.00 66.70 66.84 3iyl h VAL 238 Cb 0.13 0.45 -0.13 0.00 -1.52 0.00 0.00 31.29 30.22 3iyl h VAL 238 CO -0.29 0.07 -0.09 0.00 0.02 0.00 0.00 177.57 177.28 3iyl h ALA 239 N -0.87 0.59 0.00 1.67 0.00 -1.79 0.42 119.26 119.28 3iyl h ALA 239 Ca -0.03 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3iyl h ALA 239 Cb 0.37 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3iyl h ALA 239 CO 0.05 -0.42 -0.09 0.78 0.00 0.00 0.00 179.25 179.58 3iyl h GLY 240 N 0.05 0.00 1.17 0.00 0.00 -0.92 -2.44 103.07 100.93 3iyl h GLY 240 Ca 0.36 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.42 3iyl h GLY 240 CO -0.68 0.00 -1.10 0.00 0.00 0.00 0.00 176.54 174.76 3iyl h ALA 241 N 1.91 0.06 -0.16 3.60 0.00 -0.07 -3.28 119.26 121.31 3iyl h ALA 241 Ca -0.00 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.16 3iyl h ALA 241 Cb 0.38 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3iyl h ALA 241 CO 0.01 0.65 0.04 1.19 0.00 0.00 0.00 179.25 181.14 3iyl n PHE 242 N -3.86 0.56 0.00 0.00 3.72 -0.19 -3.42 117.46 114.26 3iyl n PHE 242 Ca -0.12 -0.34 0.00 0.00 -0.05 0.00 0.00 57.45 56.93 3iyl n PHE 242 Cb 0.91 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 39.20 3iyl n PHE 242 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3iyl n ASN 243 N 0.14 3.44 -4.58 4.37 3.02 -1.13 -4.14 115.26 116.37 3iyl n ASN 243 Ca 0.09 -0.01 -0.43 0.00 -0.03 0.00 0.00 54.58 54.20 3iyl n ASN 243 Cb 0.56 0.70 -0.00 0.00 -0.61 0.00 0.00 39.78 40.43 3iyl n ASN 243 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iyl n ALA 244 N -1.05 -0.19 -2.28 5.41 0.00 -1.22 -4.76 120.51 116.42 3iyl n ALA 244 Ca 0.00 0.29 -0.33 0.00 0.00 0.00 0.00 53.44 53.40 3iyl n ALA 244 Cb 0.00 -2.02 -0.04 0.00 0.00 0.00 0.00 19.45 17.39 3iyl n ALA 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iyl s ALA 245 N -1.21 2.20 0.06 0.00 0.00 -1.26 -4.70 121.76 116.86 3iyl s ALA 245 Ca 0.61 -1.99 -0.30 0.00 0.00 0.00 0.00 51.96 50.28 3iyl s ALA 245 Cb -0.62 -4.57 -0.09 0.00 0.00 0.00 0.00 23.12 17.83 3iyl s ALA 245 CO 0.58 -4.31 1.89 0.95 0.00 0.00 0.00 175.76 174.88 3iyl s THR 246 N 7.87 2.91 0.66 0.00 -4.23 -1.03 -4.87 115.64 116.96 3iyl s THR 246 Ca 0.60 0.09 0.34 0.00 -1.18 0.00 0.00 61.69 61.54 3iyl s THR 246 Cb -0.03 -3.06 0.34 0.00 1.34 0.00 0.00 72.50 71.10 3iyl s THR 246 CO -0.01 -0.01 2.04 0.77 -0.54 0.00 0.00 174.62 176.87 3iyl h SER 247 N 9.84 0.00 -0.15 3.99 4.64 -1.92 -2.15 113.55 127.81 3iyl h SER 247 Ca -0.48 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.75 3iyl h SER 247 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3iyl h SER 247 CO 0.94 0.00 -0.28 -0.33 -0.87 0.00 0.00 176.83 176.30 3iyl h GLU 248 N 0.00 0.45 -3.02 4.77 3.07 -1.89 -3.44 114.58 114.52 3iyl h GLU 248 Ca 0.01 -0.28 -0.31 0.00 -0.50 0.00 0.00 59.36 58.27 3iyl h GLU 248 Cb 0.50 0.03 -0.36 0.00 -0.84 0.00 0.00 28.75 28.08 3iyl h GLU 248 CO -0.00 0.88 -0.65 0.14 -1.40 0.00 0.00 179.01 177.99 3iyl s VAL 249 N -4.04 -0.25 0.00 3.13 -7.23 -0.81 -4.66 120.40 106.53 3iyl s VAL 249 Ca -0.14 0.26 0.00 0.00 -1.81 0.00 0.00 61.98 60.30 3iyl s VAL 249 Cb 0.06 -0.36 0.00 0.00 0.56 0.00 0.00 36.38 36.64 3iyl s VAL 249 CO 0.79 0.08 0.00 0.61 -0.31 0.00 0.00 175.10 176.26 3iyl n GLY 250 N 5.32 0.00 3.34 2.32 0.00 -1.19 -4.22 105.19 110.76 3iyl n GLY 250 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 3iyl n GLY 250 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iyl s SER 251 N 0.00 -0.71 0.21 1.61 0.15 -1.26 -2.46 113.70 111.24 3iyl s SER 251 Ca 0.00 1.09 -0.09 0.00 0.70 0.00 0.00 55.95 57.65 3iyl s SER 251 Cb 0.00 1.81 0.32 0.00 -1.71 0.00 0.00 66.02 66.44 3iyl s SER 251 CO 0.00 -0.24 1.69 -0.07 1.20 0.00 0.00 173.24 175.82 3iyl h LEU 252 N 8.08 -0.07 -1.97 3.45 3.38 -1.84 0.13 115.31 126.47 3iyl h LEU 252 Ca -0.18 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3iyl h LEU 252 Cb 1.12 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 3iyl h LEU 252 CO 0.16 -0.03 -0.02 1.62 0.09 0.00 0.00 178.44 180.26 3iyl h VAL 253 N 0.22 1.01 0.00 1.22 3.04 -1.90 -0.61 116.25 119.22 3iyl h VAL 253 Ca 0.33 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.96 3iyl h VAL 253 Cb 0.52 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 3iyl h VAL 253 CO -0.45 0.02 0.00 0.61 -1.01 0.00 0.00 177.57 176.74 3iyl n GLY 254 N -1.49 0.74 0.68 3.17 0.00 0.30 -3.45 105.19 105.14 3iyl n GLY 254 Ca -0.03 0.00 0.49 0.00 0.00 0.00 0.00 46.02 46.48 3iyl n GLY 254 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3iyl h SER 255 N 0.00 0.00 0.07 1.61 4.64 -1.20 0.38 113.55 119.05 3iyl h SER 255 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iyl h SER 255 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3iyl h SER 255 CO 0.00 0.00 -0.04 0.77 -0.87 0.00 0.00 176.83 176.69 3iyl h SER 256 N 0.00 -0.08 0.00 4.97 4.64 -1.24 -3.22 113.55 118.62 3iyl h SER 256 Ca 0.85 -0.40 -0.00 0.00 -0.47 0.00 0.00 61.79 61.77 3iyl h SER 256 Cb 3.54 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 65.65 3iyl h SER 256 CO -0.01 0.38 -0.00 0.77 -0.87 0.00 0.00 176.83 177.09 3iyl h SER 257 N -0.57 -0.00 0.00 4.97 4.64 -0.32 -2.25 113.55 120.02 3iyl h SER 257 Ca -0.01 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3iyl h SER 257 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3iyl h SER 257 CO 0.02 0.42 0.64 0.00 -0.87 0.00 0.00 176.83 177.03 3iyl h THR 258 N -0.43 0.00 0.00 2.95 1.03 -1.40 0.85 112.91 115.92 3iyl h THR 258 Ca -0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.35 3iyl h THR 258 Cb 0.43 0.35 -0.01 0.00 -1.07 0.00 0.00 68.15 67.85 3iyl h THR 258 CO 0.00 0.00 -0.67 0.18 -0.01 0.00 0.00 175.52 175.02 3iyl n LEU 259 N -2.67 1.82 -0.01 0.00 4.77 -1.06 -3.11 117.00 116.74 3iyl n LEU 259 Ca -0.01 0.59 0.13 0.00 -0.03 0.00 0.00 56.01 56.70 3iyl n LEU 259 Cb 0.66 -0.89 0.56 0.00 -2.33 0.00 0.00 43.42 41.42 3iyl n LEU 259 CO 0.07 -0.32 1.17 0.77 -1.33 0.00 0.00 177.39 177.75 3iyl h SER 260 N -1.00 0.23 0.66 -1.43 4.64 -0.55 0.18 113.55 116.29 3iyl h SER 260 Ca -0.07 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.22 3iyl h SER 260 Cb 0.67 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 62.72 3iyl h SER 260 CO -0.04 0.14 -0.32 -0.61 -0.87 0.00 0.00 176.83 175.13 3iyl h GLN 261 N 0.26 -0.86 -0.94 4.77 5.75 0.50 -0.96 115.11 123.62 3iyl h GLN 261 Ca 0.23 0.06 0.08 0.00 -0.15 0.00 0.00 58.65 58.87 3iyl h GLN 261 Cb 0.57 0.19 -0.07 0.00 1.07 0.00 0.00 27.48 29.24 3iyl h GLN 261 CO -0.05 -0.55 0.59 0.00 -2.65 0.00 0.00 178.83 176.18 3iyl h ALA 262 N -0.67 1.34 -0.85 3.38 0.00 -1.12 -1.30 119.26 120.03 3iyl h ALA 262 Ca -0.09 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3iyl h ALA 262 Cb 0.70 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3iyl h ALA 262 CO 0.15 0.30 0.56 0.82 0.00 0.00 0.00 179.25 181.08 3iyl h ILE 263 N 1.03 1.15 0.38 0.00 2.04 -0.47 -0.67 117.51 120.97 3iyl h ILE 263 Ca 0.43 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 3iyl h ILE 263 Cb 0.28 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 3iyl h ILE 263 CO -0.21 0.20 -0.32 0.28 0.00 0.00 0.00 178.15 178.10 3iyl h SER 264 N 1.08 -0.86 -0.35 1.72 0.02 0.02 -2.36 113.55 112.82 3iyl h SER 264 Ca 0.34 0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.41 3iyl h SER 264 Cb 0.00 0.27 -0.09 0.00 0.14 0.00 0.00 62.40 62.73 3iyl h SER 264 CO -0.10 -0.44 -0.43 0.74 -1.14 0.00 0.00 176.83 175.46 3iyl h THR 265 N -0.68 0.12 -0.99 -2.27 2.02 -1.25 0.23 112.91 110.08 3iyl h THR 265 Ca -0.05 0.00 0.33 0.00 0.77 0.00 0.00 66.41 67.46 3iyl h THR 265 Cb 0.58 0.12 -0.16 0.00 -1.74 0.00 0.00 68.15 66.95 3iyl h THR 265 CO -0.01 0.00 0.51 0.24 0.37 0.00 0.00 175.52 176.63 3iyl h MET 266 N -0.36 0.22 0.08 6.66 2.07 -1.03 0.06 114.93 122.63 3iyl h MET 266 Ca 0.12 -0.01 -0.32 0.00 -2.07 0.00 0.00 59.70 57.42 3iyl h MET 266 Cb 0.59 -0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 30.25 3iyl h MET 266 CO -0.54 0.14 -1.76 0.00 1.07 0.00 0.00 176.91 175.82 3iyl h ALA 267 N 1.88 0.50 -3.00 6.32 0.00 -0.70 -3.19 119.26 121.07 3iyl h ALA 267 Ca 0.74 -1.33 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3iyl h ALA 267 Cb 1.73 0.51 0.00 0.00 0.00 0.00 0.00 17.79 20.03 3iyl h ALA 267 CO -0.66 1.35 0.00 0.41 0.00 0.00 0.00 179.25 180.35 3iyl n GLY 268 N 1.75 -1.92 0.23 0.00 0.00 0.70 -3.91 105.19 102.04 3iyl n GLY 268 Ca -0.22 0.00 0.20 0.00 0.00 0.00 0.00 46.02 45.99 3iyl n GLY 268 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iyl n LYS 269 N 0.00 -0.05 0.00 1.61 4.01 -1.06 -4.66 118.16 118.01 3iyl n LYS 269 Ca 0.00 1.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.80 3iyl n LYS 269 Cb 0.00 -1.74 0.00 0.00 -0.51 0.00 0.00 35.03 32.78 3iyl n LYS 269 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 3iyl n ASP 270 N -4.69 0.00 -0.12 4.39 -0.08 -1.25 -4.82 116.55 109.97 3iyl n ASP 270 Ca 0.24 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.50 3iyl n ASP 270 Cb 0.82 0.00 0.20 0.00 2.34 0.00 0.00 41.12 44.49 3iyl n ASP 270 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 3iyl h LEU 271 N 0.00 0.76 -9.91 -2.67 4.07 -1.76 -3.40 115.31 102.40 3iyl h LEU 271 Ca 0.00 -0.13 -0.57 0.00 0.08 0.00 0.00 57.88 57.26 3iyl h LEU 271 Cb 0.00 -0.20 0.16 0.00 1.08 0.00 0.00 40.66 41.71 3iyl h LEU 271 CO 0.00 0.74 0.21 -0.67 -1.08 0.00 0.00 178.44 177.64 3iyl n ASP 272 N -4.28 1.04 -0.69 -0.43 2.03 -1.24 -1.49 116.55 111.48 3iyl n ASP 272 Ca 0.04 0.80 -0.08 0.00 0.52 0.00 0.00 54.79 56.06 3iyl n ASP 272 Cb 0.22 -1.43 -0.03 0.00 -0.72 0.00 0.00 41.12 39.16 3iyl n ASP 272 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 3iyl n LEU 273 N -1.12 -0.72 0.23 -2.67 0.00 -1.26 -4.91 117.00 106.55 3iyl n LEU 273 Ca 0.15 0.18 0.08 0.00 0.00 0.00 0.00 56.01 56.42 3iyl n LEU 273 Cb 0.48 -1.46 0.56 0.00 0.00 0.00 0.00 43.42 43.00 3iyl n LEU 273 CO 0.48 -0.40 0.89 -0.29 0.00 0.00 0.00 177.39 178.08 3iyl h ILE 274 N 0.00 0.89 -0.24 1.96 2.10 -1.46 -2.96 117.51 117.80 3iyl h ILE 274 Ca -0.18 -0.75 -0.20 0.00 1.08 0.00 0.00 64.86 64.81 3iyl h ILE 274 Cb 0.63 1.44 -0.22 0.00 -1.09 0.00 0.00 36.82 37.58 3iyl h ILE 274 CO 0.25 0.20 -0.74 1.21 -1.08 0.00 0.00 178.15 177.99 3iyl n GLU 275 N -3.94 1.85 -1.73 2.19 2.13 -1.26 -4.73 120.64 115.16 3iyl n GLU 275 Ca -0.02 -3.32 -0.42 0.00 0.66 0.00 0.00 57.16 54.05 3iyl n GLU 275 Cb 0.29 -1.51 -0.01 0.00 0.27 0.00 0.00 31.44 30.47 3iyl n GLU 275 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3iyl n ALA 276 N -0.68 2.06 -3.17 4.31 0.00 -1.12 -3.79 120.51 118.12 3iyl n ALA 276 Ca 0.22 0.38 -0.44 0.00 0.00 0.00 0.00 53.44 53.60 3iyl n ALA 276 Cb 0.85 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.92 3iyl n ALA 276 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3iyl n ASP 277 N 1.79 5.86 0.00 0.00 -0.08 -1.26 -2.40 116.55 120.45 3iyl n ASP 277 Ca 0.08 -3.18 0.00 0.00 -1.51 0.00 0.00 54.79 50.17 3iyl n ASP 277 Cb 0.36 -1.35 0.00 0.00 2.34 0.00 0.00 41.12 42.47 3iyl n ASP 277 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3iyl n THR 278 N 2.24 0.00 -1.18 5.18 -2.24 -1.26 -5.02 114.28 111.99 3iyl n THR 278 Ca 0.26 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.57 3iyl n THR 278 Cb 0.37 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.53 3iyl n THR 278 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3iyl n PRO 279 N -0.11 0.00 -3.88 -0.78 -0.02 -1.23 -4.59 135.00 124.39 3iyl n PRO 279 Ca 0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.26 3iyl n PRO 279 Cb 0.00 -1.13 -0.17 0.00 -0.02 0.00 0.00 33.50 32.18 3iyl n PRO 279 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3iyl s LEU 280 N 0.60 0.82 0.25 2.45 1.43 0.82 -4.90 118.68 120.16 3iyl s LEU 280 Ca 0.71 -0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 53.41 3iyl s LEU 280 Cb -1.00 -0.45 -0.14 0.00 0.03 0.00 0.00 46.19 44.63 3iyl s LEU 280 CO 0.48 -0.15 1.18 -2.65 0.23 0.00 0.00 176.35 175.44 3iyl n PRO 281 N 4.83 1.57 -0.12 1.29 -0.02 -1.26 -1.16 135.00 140.14 3iyl n PRO 281 Ca -0.12 0.55 0.20 0.00 -2.02 0.00 0.00 63.50 62.11 3iyl n PRO 281 Cb 0.50 -2.06 0.61 0.00 -0.02 0.00 0.00 33.50 32.53 3iyl n PRO 281 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3iyl h VAL 282 N 2.50 0.72 -1.01 -1.45 2.07 -1.69 0.39 116.25 117.79 3iyl h VAL 282 Ca -0.43 -0.07 0.20 0.00 0.82 0.00 0.00 66.70 67.22 3iyl h VAL 282 Cb 1.32 0.51 -0.11 0.00 -1.52 0.00 0.00 31.29 31.48 3iyl h VAL 282 CO 0.67 0.04 0.61 0.77 0.02 0.00 0.00 177.57 179.68 3iyl h SER 283 N 0.20 0.78 0.00 0.57 4.64 -1.87 0.28 113.55 118.15 3iyl h SER 283 Ca 0.35 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 3iyl h SER 283 Cb 1.08 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3iyl h SER 283 CO -0.07 0.26 0.06 0.52 -0.87 0.00 0.00 176.83 176.74 3iyl n VAL 284 N -4.78 1.66 -0.02 0.95 0.31 0.13 -0.27 118.33 116.31 3iyl n VAL 284 Ca 0.24 0.48 0.06 0.00 -0.01 0.00 0.00 64.34 65.11 3iyl n VAL 284 Cb 0.59 -1.48 0.14 0.00 -0.91 0.00 0.00 33.84 32.18 3iyl n VAL 284 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3iyl n PHE 285 N -1.41 0.38 -3.54 3.52 3.72 0.99 -4.84 117.46 116.27 3iyl n PHE 285 Ca 0.00 -0.38 -0.16 0.00 -0.05 0.00 0.00 57.45 56.86 3iyl n PHE 285 Cb 0.06 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 38.57 3iyl n PHE 285 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3iyl n THR 286 N 0.64 -0.72 -2.12 4.37 -2.24 0.63 -4.80 114.28 110.04 3iyl n THR 286 Ca 0.11 -0.23 -0.43 0.00 -2.27 0.00 0.00 64.05 61.24 3iyl n THR 286 Cb 0.41 -0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 67.97 3iyl n THR 286 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3iyl s PRO 287 N -5.39 4.13 0.07 -0.78 0.04 -1.26 -4.98 135.00 126.83 3iyl s PRO 287 Ca 0.09 1.98 -0.05 0.00 0.04 0.00 0.00 61.00 63.07 3iyl s PRO 287 Cb -0.05 -3.94 -0.02 0.00 0.04 0.00 0.00 34.50 30.52 3iyl s PRO 287 CO 0.42 -0.88 0.09 -1.54 0.04 0.00 0.00 177.00 175.12 3iyl s SER 288 N 3.16 0.30 -1.52 6.66 1.04 -1.26 -4.88 113.70 117.20 3iyl s SER 288 Ca 0.69 -0.84 -0.03 0.00 0.48 0.00 0.00 55.95 56.24 3iyl s SER 288 Cb -0.29 0.28 0.03 0.00 0.10 0.00 0.00 66.02 66.13 3iyl s SER 288 CO 0.26 -0.67 0.30 -0.11 0.98 0.00 0.00 173.24 174.00 3iyl n LEU 289 N 0.01 -1.62 -3.63 2.42 7.94 -1.26 -4.89 117.00 115.98 3iyl n LEU 289 Ca -0.14 -1.13 -0.28 0.00 -1.11 0.00 0.00 56.01 53.35 3iyl n LEU 289 Cb 0.62 -1.93 -0.09 0.00 0.53 0.00 0.00 43.42 42.54 3iyl n LEU 289 CO 0.25 0.42 0.10 0.00 -1.11 0.00 0.00 177.39 177.04 3iyl n ALA 290 N -4.45 3.90 -3.87 1.96 0.00 -1.26 -5.01 120.51 111.77 3iyl n ALA 290 Ca -0.26 -4.70 -0.32 0.00 0.00 0.00 0.00 53.44 48.17 3iyl n ALA 290 Cb 0.66 -1.03 -0.12 0.00 0.00 0.00 0.00 19.45 18.95 3iyl n ALA 290 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3iyl s PRO 291 N -2.13 2.18 0.34 0.00 0.04 -1.26 -4.42 135.00 129.76 3iyl s PRO 291 Ca 0.34 -2.61 -0.25 0.00 0.04 0.00 0.00 61.00 58.52 3iyl s PRO 291 Cb 0.08 -3.46 -0.10 0.00 0.04 0.00 0.00 34.50 31.06 3iyl s PRO 291 CO -0.06 -1.13 0.96 1.03 0.04 0.00 0.00 177.00 177.83 3iyl s ARG 292 N -0.24 4.50 0.12 4.56 0.52 -1.21 -4.88 118.95 122.32 3iyl s ARG 292 Ca 0.17 1.34 0.08 0.00 -0.52 0.00 0.00 55.73 56.80 3iyl s ARG 292 Cb -0.24 -2.71 -0.04 0.00 0.52 0.00 0.00 34.95 32.48 3iyl s ARG 292 CO -0.01 0.20 -0.14 -1.54 0.02 0.00 0.00 175.30 173.83 3iyl s SER 293 N -1.66 4.12 0.00 0.23 1.04 -1.26 -2.99 113.70 113.18 3iyl s SER 293 Ca 0.52 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.44 3iyl s SER 293 Cb -0.18 -0.67 0.00 0.00 0.10 0.00 0.00 66.02 65.27 3iyl s SER 293 CO 0.23 0.16 0.00 -1.22 0.98 0.00 0.00 173.24 173.40 3iyl n TYR 294 N 0.62 0.00 -2.71 5.02 4.01 0.26 -4.97 117.16 119.38 3iyl n TYR 294 Ca -0.14 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.53 3iyl n TYR 294 Cb 0.53 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.65 3iyl n TYR 294 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3iyl n ARG 295 N 0.00 0.76 -0.02 -0.72 5.12 -1.26 -3.26 116.66 117.28 3iyl n ARG 295 Ca 0.00 -1.58 -0.02 0.00 -1.93 0.00 0.00 57.85 54.31 3iyl n ARG 295 Cb 0.00 -0.86 0.02 0.00 -1.16 0.00 0.00 32.46 30.46 3iyl n ARG 295 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3iyl n PRO 296 N 0.59 -1.62 -1.03 5.56 -0.04 -1.24 -3.68 135.00 133.54 3iyl n PRO 296 Ca 0.04 -0.10 -0.01 0.00 -0.04 0.00 0.00 63.50 63.38 3iyl n PRO 296 Cb 0.70 -0.15 -0.00 0.00 -0.04 0.00 0.00 33.50 34.02 3iyl n PRO 296 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iyl n ALA 297 N -2.80 -0.01 0.00 0.55 0.00 -1.26 -4.07 120.51 112.92 3iyl n ALA 297 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3iyl n ALA 297 Cb 0.04 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3iyl n ALA 297 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3iyl n PHE 298 N -2.25 -0.06 -1.64 0.00 3.72 -1.24 -4.86 117.46 111.13 3iyl n PHE 298 Ca -0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 3iyl n PHE 298 Cb 0.39 0.13 -0.03 0.00 -0.94 0.00 0.00 39.48 39.04 3iyl n PHE 298 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3iyl n ILE 299 N -1.76 0.66 -1.83 4.37 5.41 -1.26 -4.93 119.36 120.02 3iyl n ILE 299 Ca 0.00 -0.23 -0.39 0.00 1.00 0.00 0.00 62.75 63.13 3iyl n ILE 299 Cb 0.00 -2.39 0.02 0.00 -0.71 0.00 0.00 39.64 36.57 3iyl n ILE 299 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3iyl s LYS 300 N 4.98 3.49 0.30 0.38 1.02 -1.26 -4.90 119.74 123.76 3iyl s LYS 300 Ca 0.92 2.30 0.01 0.00 0.02 0.00 0.00 55.97 59.22 3iyl s LYS 300 Cb -0.41 -2.49 0.53 0.00 -0.52 0.00 0.00 37.83 34.94 3iyl s LYS 300 CO 0.40 -0.94 1.92 -1.00 -0.92 0.00 0.00 175.35 174.81 3iyl h PRO 301 N 1.99 0.99 0.00 -1.68 0.13 -1.89 -1.59 132.00 129.95 3iyl h PRO 301 Ca -0.51 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 3iyl h PRO 301 Cb 1.28 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3iyl h PRO 301 CO 0.60 0.66 0.00 1.05 -0.23 0.00 0.00 178.00 180.07 3iyl h GLU 302 N 1.02 0.00 -0.00 0.86 9.09 -1.90 -3.08 114.58 120.57 3iyl h GLU 302 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.79 3iyl h GLU 302 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.28 3iyl h GLU 302 CO -0.14 0.00 -0.02 -0.25 0.05 0.00 0.00 179.01 178.66 3iyl n ASP 303 N -2.64 0.07 -2.91 3.06 8.00 -0.60 -4.62 116.55 116.90 3iyl n ASP 303 Ca 0.04 -0.31 0.03 0.00 0.71 0.00 0.00 54.79 55.26 3iyl n ASP 303 Cb 0.42 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 3iyl n ASP 303 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iyl s ALA 304 N -2.49 -4.06 0.31 2.24 0.00 -1.16 -4.11 121.76 112.49 3iyl s ALA 304 Ca 0.31 1.17 0.23 0.00 0.00 0.00 0.00 51.96 53.66 3iyl s ALA 304 Cb 0.20 -2.93 1.06 0.00 0.00 0.00 0.00 23.12 21.45 3iyl s ALA 304 CO 0.45 -2.36 1.11 1.63 0.00 0.00 0.00 175.76 176.59 3iyl n LYS 305 N 4.13 -0.03 0.00 0.00 4.76 -1.24 -2.18 118.16 123.60 3iyl n LYS 305 Ca 0.07 0.89 0.00 0.00 -2.87 0.00 0.00 58.31 56.40 3iyl n LYS 305 Cb 0.61 -1.75 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 3iyl n LYS 305 CO 0.00 0.00 0.00 -2.67 -1.37 0.00 0.00 177.40 173.36 3iyl n TRP 306 N -4.12 0.00 -3.14 2.13 4.27 -1.26 -4.47 117.44 110.84 3iyl n TRP 306 Ca 0.29 -0.30 0.03 0.00 -3.89 0.00 0.00 57.50 53.63 3iyl n TRP 306 Cb 1.11 -0.19 -0.00 0.00 -1.36 0.00 0.00 31.31 30.87 3iyl n TRP 306 CO 0.00 0.00 0.00 -1.50 -2.29 0.00 0.00 177.69 173.90 3iyl s ILE 307 N 0.31 -0.87 0.34 -1.67 2.07 -0.93 -2.68 121.20 117.77 3iyl s ILE 307 Ca 0.00 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.25 3iyl s ILE 307 Cb 0.00 -0.55 -0.03 0.00 0.13 0.00 0.00 42.46 42.01 3iyl s ILE 307 CO 0.00 0.00 0.54 0.00 -1.91 0.00 0.00 174.94 173.57 3iyl s ALA 308 N 2.49 3.71 0.06 1.50 0.00 -0.88 -4.08 121.76 124.56 3iyl s ALA 308 Ca 0.14 -0.93 0.06 0.00 0.00 0.00 0.00 51.96 51.23 3iyl s ALA 308 Cb -0.06 -2.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.94 3iyl s ALA 308 CO -0.19 -0.02 -0.18 -1.83 0.00 0.00 0.00 175.76 173.54 3iyl s GLU 309 N -4.30 1.11 -1.55 0.00 -1.05 -1.26 -0.53 118.70 111.12 3iyl s GLU 309 Ca 0.40 -0.94 -0.11 0.00 -0.15 0.00 0.00 54.97 54.17 3iyl s GLU 309 Cb -0.10 -1.22 -0.03 0.00 -0.44 0.00 0.00 34.13 32.35 3iyl s GLU 309 CO 0.36 0.30 2.69 1.19 0.95 0.00 0.00 175.26 180.74 3iyl n PHE 310 N 1.60 2.75 -2.25 4.83 3.72 -0.56 -3.84 117.46 123.71 3iyl n PHE 310 Ca -0.19 -3.04 -0.33 0.00 -0.05 0.00 0.00 57.45 53.85 3iyl n PHE 310 Cb 0.54 -2.45 -0.04 0.00 -0.94 0.00 0.00 39.48 36.59 3iyl n PHE 310 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3iyl s ASN 311 N 2.26 5.68 0.13 4.37 2.20 -1.25 -4.68 114.94 123.65 3iyl s ASN 311 Ca 0.62 -1.19 0.08 0.00 -0.94 0.00 0.00 52.86 51.43 3iyl s ASN 311 Cb 0.17 -2.57 -0.04 0.00 -2.00 0.00 0.00 41.25 36.81 3iyl s ASN 311 CO -0.07 -2.29 -0.20 0.54 -2.94 0.00 0.00 177.10 172.14 3iyl s ASN 312 N 6.59 2.61 0.00 3.54 4.22 -1.26 -4.87 114.94 125.77 3iyl s ASN 312 Ca 0.61 -0.75 0.00 0.00 -2.14 0.00 0.00 52.86 50.58 3iyl s ASN 312 Cb -0.03 -0.15 0.00 0.00 1.28 0.00 0.00 41.25 42.35 3iyl s ASN 312 CO -0.01 0.03 0.46 -1.20 -2.04 0.00 0.00 177.10 174.33 3iyl n SER 313 N 0.80 0.00 -2.66 3.54 7.64 -1.26 -4.84 113.62 116.84 3iyl n SER 313 Ca -0.17 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.16 3iyl n SER 313 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 3iyl n SER 313 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3iyl n SER 314 N -0.71 0.00 -4.93 6.43 3.41 -1.26 -4.97 113.62 111.59 3iyl n SER 314 Ca 0.00 -0.04 -0.25 0.00 -0.26 0.00 0.00 58.87 58.31 3iyl n SER 314 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 3iyl n SER 314 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3iyl s LEU 315 N 0.00 3.61 -0.49 1.04 1.43 -1.26 -4.79 118.68 118.21 3iyl s LEU 315 Ca 0.00 0.63 0.08 0.00 -1.03 0.00 0.00 54.13 53.81 3iyl s LEU 315 Cb 0.00 -3.52 0.36 0.00 0.03 0.00 0.00 46.19 43.06 3iyl s LEU 315 CO 0.00 -0.67 0.92 -0.38 0.23 0.00 0.00 176.35 176.44 3iyl n ILE 316 N -2.21 2.01 -1.72 -0.59 5.41 -1.16 -4.88 119.36 116.22 3iyl n ILE 316 Ca 0.01 -5.07 -0.42 0.00 1.00 0.00 0.00 62.75 58.27 3iyl n ILE 316 Cb 0.56 -0.95 -0.03 0.00 -0.71 0.00 0.00 39.64 38.52 3iyl n ILE 316 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3iyl s ARG 317 N -3.20 4.04 0.48 0.38 0.52 -1.22 -4.67 118.95 115.28 3iyl s ARG 317 Ca 0.45 2.48 0.05 0.00 -0.52 0.00 0.00 55.73 58.19 3iyl s ARG 317 Cb 0.33 -4.16 -0.02 0.00 0.52 0.00 0.00 34.95 31.62 3iyl s ARG 317 CO -0.12 -1.06 0.16 0.21 0.02 0.00 0.00 175.30 174.51 3iyl s LYS 318 N 4.60 2.20 0.26 3.54 2.47 -0.90 -4.78 119.74 127.13 3iyl s LYS 318 Ca 0.87 -2.10 0.02 0.00 -1.56 0.00 0.00 55.97 53.20 3iyl s LYS 318 Cb -0.40 -1.83 -0.05 0.00 -1.46 0.00 0.00 37.83 34.09 3iyl s LYS 318 CO 0.39 -0.32 0.07 0.95 0.16 0.00 0.00 175.35 176.59 3iyl s THR 319 N -2.75 0.79 -0.30 3.43 -4.23 -1.26 -2.62 115.64 108.70 3iyl s THR 319 Ca 0.27 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.61 3iyl s THR 319 Cb 0.02 -2.59 0.18 0.00 1.34 0.00 0.00 72.50 71.45 3iyl s THR 319 CO 0.15 -0.09 1.13 -1.48 -0.54 0.00 0.00 174.62 173.80 3iyl s LEU 320 N -3.34 -0.28 -0.59 4.79 2.34 -0.87 -4.87 118.68 115.86 3iyl s LEU 320 Ca 0.35 0.43 -0.28 0.00 0.06 0.00 0.00 54.13 54.69 3iyl s LEU 320 Cb 0.08 1.38 0.02 0.00 -0.56 0.00 0.00 46.19 47.11 3iyl s LEU 320 CO 0.13 -0.06 1.28 -0.89 -1.06 0.00 0.00 176.35 175.74 3iyl s THR 321 N 1.52 3.90 -0.31 5.48 2.01 -1.26 -2.39 115.64 124.59 3iyl s THR 321 Ca -0.06 0.76 -0.01 0.00 0.31 0.00 0.00 61.69 62.68 3iyl s THR 321 Cb -0.03 -4.65 0.06 0.00 0.01 0.00 0.00 72.50 67.89 3iyl s THR 321 CO -0.14 -1.35 0.02 -0.47 -0.69 0.00 0.00 174.62 171.99 3iyl s TYR 322 N 5.45 3.31 -0.95 4.92 5.04 -0.45 -4.61 117.35 130.07 3iyl s TYR 322 Ca 0.45 -1.99 -0.03 0.00 -2.44 0.00 0.00 57.07 53.06 3iyl s TYR 322 Cb -0.09 -2.24 0.00 0.00 0.35 0.00 0.00 41.96 39.99 3iyl s TYR 322 CO 0.24 -0.83 0.81 0.45 -1.34 0.00 0.00 175.55 174.87 3iyl n SER 323 N 4.60 -3.42 0.00 4.32 2.88 -1.26 -3.63 113.62 117.11 3iyl n SER 323 Ca -0.12 -0.44 0.00 0.00 -1.33 0.00 0.00 58.87 56.99 3iyl n SER 323 Cb 0.43 -3.92 0.00 0.00 -0.75 0.00 0.00 64.21 59.97 3iyl n SER 323 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3iyl n GLY 324 N -1.33 2.29 3.48 0.46 0.00 -1.26 -4.95 105.19 103.88 3iyl n GLY 324 Ca -0.12 -0.10 -0.48 0.00 0.00 0.00 0.00 46.02 45.32 3iyl n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iyl n ALA 325 N 0.00 -2.05 -2.59 4.61 0.00 -1.24 -4.78 120.51 114.46 3iyl n ALA 325 Ca 0.00 0.45 -0.38 0.00 0.00 0.00 0.00 53.44 53.50 3iyl n ALA 325 Cb 0.00 -1.78 -0.10 0.00 0.00 0.00 0.00 19.45 17.57 3iyl n ALA 325 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3iyl s THR 326 N -0.80 5.26 0.32 0.00 2.01 -1.26 -1.34 115.64 119.83 3iyl s THR 326 Ca 0.67 0.30 0.09 0.00 0.31 0.00 0.00 61.69 63.05 3iyl s THR 326 Cb -0.90 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 67.97 3iyl s THR 326 CO 0.57 0.20 0.10 -0.31 -0.69 0.00 0.00 174.62 174.49 3iyl s TYR 327 N 1.88 2.71 -0.23 4.92 2.02 -1.00 -4.73 117.35 122.90 3iyl s TYR 327 Ca 0.10 -0.35 0.02 0.00 -0.37 0.00 0.00 57.07 56.47 3iyl s TYR 327 Cb -0.16 -1.53 0.05 0.00 -0.40 0.00 0.00 41.96 39.92 3iyl s TYR 327 CO 0.11 0.41 -0.13 -0.08 -1.57 0.00 0.00 175.55 174.29 3iyl s THR 328 N -2.40 2.02 0.34 -0.71 -1.32 0.18 -2.05 115.64 111.71 3iyl s THR 328 Ca 0.36 -1.35 -0.27 0.00 -1.21 0.00 0.00 61.69 59.21 3iyl s THR 328 Cb -0.03 -2.07 -0.09 0.00 -1.51 0.00 0.00 72.50 68.80 3iyl s THR 328 CO 0.22 0.13 1.17 -0.69 -2.21 0.00 0.00 174.62 173.23 3iyl s VAL 329 N 1.21 3.21 -0.16 5.08 1.01 -1.08 -2.30 120.40 127.38 3iyl s VAL 329 Ca -0.04 1.13 -0.15 0.00 0.00 0.00 0.00 61.98 62.92 3iyl s VAL 329 Cb -0.18 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 3iyl s VAL 329 CO -0.07 0.20 -0.28 0.00 0.00 0.00 0.00 175.10 174.94 3iyl n GLN 330 N 0.62 0.47 -2.78 2.72 1.13 -1.26 -2.12 117.38 116.16 3iyl n GLN 330 Ca 0.01 0.26 -0.15 0.00 -1.94 0.00 0.00 57.00 55.19 3iyl n GLN 330 Cb 0.45 -1.41 0.03 0.00 0.11 0.00 0.00 30.24 29.42 3iyl n GLN 330 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3iyl n LEU 331 N -4.32 -2.32 0.00 1.08 4.32 -1.26 -3.00 117.00 111.50 3iyl n LEU 331 Ca -0.11 -0.20 0.00 0.00 -0.02 0.00 0.00 56.01 55.68 3iyl n LEU 331 Cb 0.42 -2.13 0.00 0.00 -1.62 0.00 0.00 43.42 40.09 3iyl n LEU 331 CO 0.17 0.17 0.00 0.61 -1.22 0.00 0.00 177.39 177.12 3iyl n GLY 332 N -1.27 0.00 0.29 -0.72 0.00 -1.26 -4.08 105.19 98.14 3iyl n GLY 332 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.99 3iyl n GLY 332 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3iyl n PRO 333 N 1.39 -0.09 -0.70 1.61 -0.04 -1.26 -4.64 135.00 131.27 3iyl n PRO 333 Ca 0.00 1.23 -0.14 0.00 -0.04 0.00 0.00 63.50 64.56 3iyl n PRO 333 Cb 0.00 -1.84 0.10 0.00 -0.04 0.00 0.00 33.50 31.72 3iyl n PRO 333 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3iyl n GLY 334 N -1.48 -1.87 0.19 0.55 0.00 -1.26 -4.97 105.19 96.35 3iyl n GLY 334 Ca 0.12 -1.59 0.14 0.00 0.00 0.00 0.00 46.02 44.69 3iyl n GLY 334 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3iyl h PRO 335 N 0.00 0.00 -6.07 1.61 0.11 -1.83 -3.45 132.00 122.36 3iyl h PRO 335 Ca -0.20 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.67 3iyl h PRO 335 Cb 0.56 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.68 3iyl h PRO 335 CO 0.13 0.00 -0.95 0.25 -0.21 0.00 0.00 178.00 177.23 3iyl n THR 336 N -2.71 -6.67 -2.15 -1.15 -2.24 -1.26 -1.50 114.28 96.59 3iyl n THR 336 Ca 0.03 0.40 -0.42 0.00 -2.27 0.00 0.00 64.05 61.79 3iyl n THR 336 Cb 0.36 -4.98 -0.03 0.00 -2.10 0.00 0.00 70.33 63.58 3iyl n THR 336 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3iyl s ARG 337 N -2.50 4.28 0.06 -0.78 0.52 -1.26 -3.27 118.95 116.00 3iyl s ARG 337 Ca 0.33 2.07 0.09 0.00 -0.52 0.00 0.00 55.73 57.70 3iyl s ARG 337 Cb -0.05 -3.48 -0.03 0.00 0.52 0.00 0.00 34.95 31.91 3iyl s ARG 337 CO 0.83 -0.56 -0.25 0.14 0.02 0.00 0.00 175.30 175.48 3iyl s VAL 338 N 2.04 2.28 0.03 3.52 -7.23 0.32 -4.12 120.40 117.23 3iyl s VAL 338 Ca 0.66 -1.44 -0.30 0.00 -1.81 0.00 0.00 61.98 59.09 3iyl s VAL 338 Cb -0.35 -1.92 -0.08 0.00 0.56 0.00 0.00 36.38 34.59 3iyl s VAL 338 CO 0.29 0.30 1.76 -0.63 -0.31 0.00 0.00 175.10 176.51 3iyl s ILE 339 N -0.88 3.14 0.54 -0.62 1.01 0.14 -2.08 121.20 122.45 3iyl s ILE 339 Ca 0.13 0.38 -0.18 0.00 0.00 0.00 0.00 60.65 60.97 3iyl s ILE 339 Cb -0.10 -3.25 -0.06 0.00 0.01 0.00 0.00 42.46 39.06 3iyl s ILE 339 CO 0.03 -0.02 1.06 -0.62 0.00 0.00 0.00 174.94 175.40 3iyl s ASP 340 N 3.25 6.01 -0.13 3.58 -1.08 -1.09 0.11 116.67 127.31 3iyl s ASP 340 Ca 0.78 1.94 -0.06 0.00 -0.52 0.00 0.00 52.55 54.70 3iyl s ASP 340 Cb -0.39 -2.56 -0.25 0.00 -1.46 0.00 0.00 42.92 38.26 3iyl s ASP 340 CO 0.34 -1.01 0.31 0.23 0.52 0.00 0.00 175.17 175.56 3iyl n MET 341 N -1.41 0.75 -1.88 4.34 2.81 -0.72 -4.67 117.12 116.33 3iyl n MET 341 Ca 0.10 0.25 -0.33 0.00 -1.81 0.00 0.00 57.70 55.91 3iyl n MET 341 Cb 0.52 -1.69 0.03 0.00 -0.71 0.00 0.00 33.22 31.37 3iyl n MET 341 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 3iyl s ASN 342 N -6.99 5.46 -0.90 7.83 0.01 -1.26 -3.30 114.94 115.78 3iyl s ASN 342 Ca -0.24 1.88 -0.03 0.00 -0.71 0.00 0.00 52.86 53.76 3iyl s ASN 342 Cb 0.07 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.15 3iyl s ASN 342 CO 0.75 -1.39 0.81 0.00 -1.51 0.00 0.00 177.10 175.77 3iyl n ALA 343 N -2.29 -2.48 -2.54 0.60 0.00 -1.26 -4.91 120.51 107.63 3iyl n ALA 343 Ca 0.09 0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.58 3iyl n ALA 343 Cb 0.53 -3.88 0.09 0.00 0.00 0.00 0.00 19.45 16.19 3iyl n ALA 343 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3iyl n MET 344 N -2.57 1.10 0.00 0.00 2.00 -1.21 -4.61 117.12 111.83 3iyl n MET 344 Ca -0.04 -1.17 0.00 0.00 0.00 0.00 0.00 57.70 56.49 3iyl n MET 344 Cb 0.57 0.44 0.00 0.00 0.00 0.00 0.00 33.22 34.23 3iyl n MET 344 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 3iyl n ILE 345 N -1.25 0.00 -0.67 2.02 -5.35 -1.26 -3.96 119.36 108.89 3iyl n ILE 345 Ca -0.20 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.15 3iyl n ILE 345 Cb 0.84 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 38.66 3iyl n ILE 345 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3iyl n ASP 346 N 0.00 -0.33 0.00 7.28 3.85 -1.26 -4.65 116.55 121.45 3iyl n ASP 346 Ca 0.00 -0.11 0.00 0.00 -0.71 0.00 0.00 54.79 53.97 3iyl n ASP 346 Cb 0.00 -0.31 0.00 0.00 -1.35 0.00 0.00 41.12 39.46 3iyl n ASP 346 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3iyl n SER 347 N 3.39 1.12 -3.75 -1.12 3.41 -1.06 -2.82 113.62 112.80 3iyl n SER 347 Ca 0.30 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.62 3iyl n SER 347 Cb 0.04 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.87 3iyl n SER 347 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3iyl s VAL 348 N 1.46 1.81 -0.05 -3.33 1.01 -0.80 -3.43 120.40 117.07 3iyl s VAL 348 Ca 0.00 -3.15 -0.30 0.00 0.00 0.00 0.00 61.98 58.53 3iyl s VAL 348 Cb 0.00 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 3iyl s VAL 348 CO 0.00 -0.97 1.34 -0.76 0.00 0.00 0.00 175.10 174.72 3iyl s LEU 349 N -0.28 4.28 -0.40 3.92 1.02 -1.23 -2.80 118.68 123.19 3iyl s LEU 349 Ca 0.22 1.97 0.01 0.00 0.02 0.00 0.00 54.13 56.35 3iyl s LEU 349 Cb -0.15 -3.55 0.13 0.00 0.02 0.00 0.00 46.19 42.64 3iyl s LEU 349 CO -0.08 -0.71 0.21 0.28 0.02 0.00 0.00 176.35 176.08 3iyl s THR 350 N 2.67 1.03 -0.47 5.49 -1.32 -1.14 -2.13 115.64 119.76 3iyl s THR 350 Ca 0.61 -2.17 -0.29 0.00 -1.21 0.00 0.00 61.69 58.63 3iyl s THR 350 Cb -0.28 -1.73 0.02 0.00 -1.51 0.00 0.00 72.50 69.00 3iyl s THR 350 CO 0.23 -0.88 1.24 -0.22 -2.21 0.00 0.00 174.62 172.79 3iyl s LEU 351 N 0.73 3.58 0.00 9.08 2.96 -1.02 -1.80 118.68 132.22 3iyl s LEU 351 Ca 0.16 0.53 -0.20 0.00 -0.22 0.00 0.00 54.13 54.40 3iyl s LEU 351 Cb -0.23 -3.48 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 3iyl s LEU 351 CO -0.04 -1.36 0.59 -0.62 -1.32 0.00 0.00 176.35 173.60 3iyl s ASP 352 N 3.09 6.98 -0.52 3.68 -1.08 -1.16 -2.06 116.67 125.59 3iyl s ASP 352 Ca 0.52 1.16 0.04 0.00 -0.52 0.00 0.00 52.55 53.75 3iyl s ASP 352 Cb -0.09 -2.36 0.14 0.00 -1.46 0.00 0.00 42.92 39.15 3iyl s ASP 352 CO 0.31 0.12 0.30 -0.69 0.52 0.00 0.00 175.17 175.73 3iyl s VAL 353 N -0.29 2.15 -0.03 1.11 1.01 -0.89 -2.01 120.40 121.44 3iyl s VAL 353 Ca 0.31 -3.21 -0.05 0.00 0.00 0.00 0.00 61.98 59.02 3iyl s VAL 353 Cb -0.18 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 33.73 3iyl s VAL 353 CO 0.17 -0.89 0.13 -0.94 0.00 0.00 0.00 175.10 173.57 3iyl s SER 354 N -0.27 -0.05 0.00 3.32 1.04 -1.26 -3.88 113.70 112.60 3iyl s SER 354 Ca 0.19 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.66 3iyl s SER 354 Cb -0.20 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.16 3iyl s SER 354 CO -0.04 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.60 3iyl n GLY 355 N 2.29 2.21 3.78 7.32 0.00 -0.34 -4.86 105.19 115.60 3iyl n GLY 355 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 3iyl n GLY 355 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iyl s THR 356 N -1.87 3.75 0.75 2.61 2.01 -1.26 -4.60 115.64 117.02 3iyl s THR 356 Ca 0.00 1.34 -0.15 0.00 0.31 0.00 0.00 61.69 63.18 3iyl s THR 356 Cb 0.00 -3.69 0.01 0.00 0.01 0.00 0.00 72.50 68.84 3iyl s THR 356 CO 0.00 0.00 0.92 -0.38 -0.69 0.00 0.00 174.62 174.47 3iyl n ILE 357 N -0.06 2.40 -3.08 1.82 2.08 -1.26 -2.17 119.36 119.08 3iyl n ILE 357 Ca 0.05 -0.34 -0.15 0.00 0.56 0.00 0.00 62.75 62.87 3iyl n ILE 357 Cb 0.50 -1.04 -0.04 0.00 -0.75 0.00 0.00 39.64 38.30 3iyl n ILE 357 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 3iyl s LEU 358 N -3.01 -0.11 0.00 1.39 2.96 -0.56 -4.79 118.68 114.56 3iyl s LEU 358 Ca 0.71 -2.30 -0.03 0.00 -0.22 0.00 0.00 54.13 52.29 3iyl s LEU 358 Cb -0.33 0.79 -0.12 0.00 0.50 0.00 0.00 46.19 47.03 3iyl s LEU 358 CO 0.52 -0.12 1.94 -0.81 -1.32 0.00 0.00 176.35 176.56 3iyl n PRO 359 N 3.00 0.95 0.00 0.98 -0.04 -1.26 -4.48 135.00 134.14 3iyl n PRO 359 Ca 0.23 -0.43 0.07 0.00 -0.04 0.00 0.00 63.50 63.33 3iyl n PRO 359 Cb 0.52 -1.67 0.33 0.00 -0.04 0.00 0.00 33.50 32.64 3iyl n PRO 359 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 3iyl n TYR 360 N 2.58 0.00 -0.03 0.54 -0.00 -1.26 -2.74 117.16 116.25 3iyl n TYR 360 Ca 0.19 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.96 3iyl n TYR 360 Cb 0.44 -0.42 -0.08 0.00 -0.00 0.00 0.00 39.34 39.28 3iyl n TYR 360 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.86 177.24 3iyl h ASP 361 N 0.00 0.14 0.00 9.48 2.03 -1.97 -3.36 116.42 122.74 3iyl h ASP 361 Ca 0.00 -0.41 0.00 0.00 -0.73 0.00 0.00 57.03 55.89 3iyl h ASP 361 Cb 0.21 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.67 3iyl h ASP 361 CO 0.00 0.51 0.00 0.35 -1.03 0.00 0.00 179.24 179.07 3iyl n THR 362 N -4.79 0.00 -1.79 1.15 -2.24 -1.11 -4.63 114.28 100.86 3iyl n THR 362 Ca -0.07 0.02 -0.39 0.00 -2.27 0.00 0.00 64.05 61.35 3iyl n THR 362 Cb 0.25 -0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.36 3iyl n THR 362 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3iyl s ASN 363 N -1.06 5.06 0.41 3.42 4.22 -1.24 -4.74 114.94 121.00 3iyl s ASN 363 Ca 0.00 0.96 0.28 0.00 -2.14 0.00 0.00 52.86 51.96 3iyl s ASN 363 Cb 0.00 -2.52 1.45 0.00 1.28 0.00 0.00 41.25 41.47 3iyl s ASN 363 CO 0.00 -2.43 1.86 1.55 -2.04 0.00 0.00 177.10 176.04 3iyl h PRO 364 N 16.48 0.00 -1.00 3.55 0.13 -1.82 -1.80 132.00 147.53 3iyl h PRO 364 Ca -0.28 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.91 3iyl h PRO 364 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 3iyl h PRO 364 CO 1.14 0.00 0.65 0.22 -0.23 0.00 0.00 178.00 179.78 3iyl h ASP 365 N 0.00 1.05 -0.34 1.44 -0.00 -1.87 -2.66 116.42 114.04 3iyl h ASP 365 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.02 3iyl h ASP 365 Cb 0.09 -0.22 -0.02 0.00 -0.00 0.00 0.00 39.33 39.18 3iyl h ASP 365 CO 0.00 0.68 0.16 0.25 -0.00 0.00 0.00 179.24 180.34 3iyl h LEU 366 N 1.20 0.44-10.25 2.28 5.85 -1.66 -3.42 115.31 109.75 3iyl h LEU 366 Ca 0.42 -0.12 -0.52 0.00 0.84 0.00 0.00 57.88 58.49 3iyl h LEU 366 Cb 0.12 -0.11 0.18 0.00 0.37 0.00 0.00 40.66 41.22 3iyl h LEU 366 CO -0.16 0.44 0.28 -0.55 -0.34 0.00 0.00 178.44 178.12 3iyl s SER 367 N -5.69 3.44 0.00 1.25 0.15 -1.00 -2.75 113.70 109.09 3iyl s SER 367 Ca -0.13 2.20 0.00 0.00 0.70 0.00 0.00 55.95 58.72 3iyl s SER 367 Cb 0.09 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 3iyl s SER 367 CO 0.73 -2.76 0.00 0.41 1.20 0.00 0.00 173.24 172.82 3iyl n THR 368 N -3.74 0.00 -3.07 6.45 -1.04 -1.23 -4.83 114.28 106.81 3iyl n THR 368 Ca 0.12 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.72 3iyl n THR 368 Cb 0.52 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.97 3iyl n THR 368 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3iyl s SER 369 N -0.69 6.59 -0.22 8.00 1.04 -1.11 -4.42 113.70 122.89 3iyl s SER 369 Ca 0.00 0.68 -0.29 0.00 0.48 0.00 0.00 55.95 56.82 3iyl s SER 369 Cb 0.00 -2.35 -0.02 0.00 0.10 0.00 0.00 66.02 63.75 3iyl s SER 369 CO 0.00 -0.43 1.44 0.68 0.98 0.00 0.00 173.24 175.91 3iyl s VAL 370 N 2.60 3.95 0.38 5.02 -7.23 -1.23 -2.82 120.40 121.07 3iyl s VAL 370 Ca 0.27 1.10 -0.27 0.00 -1.81 0.00 0.00 61.98 61.27 3iyl s VAL 370 Cb -0.15 -3.90 -0.10 0.00 0.56 0.00 0.00 36.38 32.79 3iyl s VAL 370 CO 0.09 -0.31 1.39 -2.16 -0.31 0.00 0.00 175.10 173.80 3iyl s PRO 371 N 4.22 4.10 -0.28 4.82 0.04 -1.19 -4.26 135.00 142.44 3iyl s PRO 371 Ca 0.63 2.37 -0.23 0.00 0.04 0.00 0.00 61.00 63.81 3iyl s PRO 371 Cb -0.22 -2.91 0.10 0.00 0.04 0.00 0.00 34.50 31.50 3iyl s PRO 371 CO 0.24 -0.46 0.84 0.00 0.04 0.00 0.00 177.00 177.66 3iyl s ALA 372 N -1.16 -1.91 -0.05 8.56 0.00 -1.14 -1.57 121.76 124.49 3iyl s ALA 372 Ca 0.53 2.07 -0.30 0.00 0.00 0.00 0.00 51.96 54.26 3iyl s ALA 372 Cb -0.43 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.30 3iyl s ALA 372 CO 0.56 -0.31 1.27 0.12 0.00 0.00 0.00 175.76 177.40 3iyl s PHE 373 N 0.64 3.04 -0.02 0.00 5.36 -0.80 -3.00 117.98 123.19 3iyl s PHE 373 Ca -0.02 1.06 0.02 0.00 -0.96 0.00 0.00 56.93 57.04 3iyl s PHE 373 Cb -0.05 -3.51 0.01 0.00 -0.34 0.00 0.00 43.02 39.13 3iyl s PHE 373 CO -0.06 -1.71 -0.06 0.14 -1.46 0.00 0.00 175.22 172.06 3iyl s VAL 374 N 2.44 0.57 0.54 3.12 -7.23 0.11 -2.33 120.40 117.61 3iyl s VAL 374 Ca 0.58 -0.23 -0.16 0.00 -1.81 0.00 0.00 61.98 60.37 3iyl s VAL 374 Cb -0.26 -0.53 -0.07 0.00 0.56 0.00 0.00 36.38 36.07 3iyl s VAL 374 CO 0.22 0.20 1.00 -0.76 -0.31 0.00 0.00 175.10 175.45 3iyl s LEU 375 N 0.35 3.55 -0.24 1.32 1.02 0.22 -1.20 118.68 123.70 3iyl s LEU 375 Ca -0.05 1.55 -0.04 0.00 0.02 0.00 0.00 54.13 55.61 3iyl s LEU 375 Cb -0.09 -4.50 0.09 0.00 0.02 0.00 0.00 46.19 41.71 3iyl s LEU 375 CO 0.00 -0.66 0.13 -0.63 0.02 0.00 0.00 176.35 175.22 3iyl s ILE 376 N -2.72 -0.12 -0.24 -0.59 1.01 0.76 -2.03 121.20 117.28 3iyl s ILE 376 Ca 0.58 -0.48 -0.22 0.00 0.00 0.00 0.00 60.65 60.53 3iyl s ILE 376 Cb -0.10 -0.81 -0.02 0.00 0.01 0.00 0.00 42.46 41.54 3iyl s ILE 376 CO 0.35 -0.51 0.70 -1.58 0.00 0.00 0.00 174.94 173.90 3iyl s GLN 377 N 2.15 4.16 0.06 2.79 0.74 -0.62 -1.58 119.66 127.35 3iyl s GLN 377 Ca 0.06 0.71 0.04 0.00 0.05 0.00 0.00 55.36 56.22 3iyl s GLN 377 Cb -0.16 -3.63 -0.04 0.00 1.10 0.00 0.00 33.01 30.28 3iyl s GLN 377 CO -0.25 -0.41 -0.01 0.95 -0.55 0.00 0.00 175.29 175.02 3iyl s THR 378 N 2.48 3.99 0.00 -0.34 -4.23 -1.08 -0.40 115.64 116.07 3iyl s THR 378 Ca 0.30 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 3iyl s THR 378 Cb -0.16 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.83 3iyl s THR 378 CO 0.09 0.22 0.29 -1.20 -0.54 0.00 0.00 174.62 173.47 3iyl n SER 379 N 0.89 0.00 -4.76 3.99 7.64 0.17 -4.40 113.62 117.15 3iyl n SER 379 Ca -0.12 0.38 -0.37 0.00 1.01 0.00 0.00 58.87 59.77 3iyl n SER 379 Cb 0.52 -0.17 0.01 0.00 -1.01 0.00 0.00 64.21 63.57 3iyl n SER 379 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3iyl s VAL 380 N -0.91 2.65 0.43 0.44 1.01 -1.26 -4.79 120.40 117.96 3iyl s VAL 380 Ca 0.00 0.48 -0.24 0.00 0.00 0.00 0.00 61.98 62.21 3iyl s VAL 380 Cb 0.00 -3.24 -0.10 0.00 0.00 0.00 0.00 36.38 33.04 3iyl s VAL 380 CO 0.00 -0.01 1.13 -2.65 0.00 0.00 0.00 175.10 173.56 3iyl n PRO 381 N -0.80 1.57 -0.52 2.72 -0.02 -1.26 -4.63 135.00 132.05 3iyl n PRO 381 Ca 0.09 0.56 -0.30 0.00 -2.02 0.00 0.00 63.50 61.84 3iyl n PRO 381 Cb 0.47 -2.20 0.23 0.00 -0.02 0.00 0.00 33.50 31.98 3iyl n PRO 381 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3iyl n ILE 382 N -0.44 0.00 -2.74 4.25 3.06 -1.26 -2.62 119.36 119.61 3iyl n ILE 382 Ca 0.09 -0.39 -0.20 0.00 -2.50 0.00 0.00 62.75 59.75 3iyl n ILE 382 Cb 0.40 -0.83 0.02 0.00 0.54 0.00 0.00 39.64 39.76 3iyl n ILE 382 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3iyl n GLN 383 N -3.88 -3.44 0.00 9.51 6.02 -1.25 -4.48 117.38 119.86 3iyl n GLN 383 Ca 0.02 0.86 0.00 0.00 -0.01 0.00 0.00 57.00 57.87 3iyl n GLN 383 Cb 0.57 -5.50 0.00 0.00 1.02 0.00 0.00 30.24 26.33 3iyl n GLN 383 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 3iyl n GLN 384 N -3.41 0.00 -2.99 -1.09 7.27 -1.08 -5.03 117.38 111.05 3iyl n GLN 384 Ca -0.15 0.00 -0.44 0.00 0.07 0.00 0.00 57.00 56.49 3iyl n GLN 384 Cb 0.63 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 33.24 3iyl n GLN 384 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3iyl s VAL 385 N 0.00 4.59 -0.07 1.69 0.11 -1.13 -4.84 120.40 120.75 3iyl s VAL 385 Ca 0.00 -0.50 -0.01 0.00 -2.93 0.00 0.00 61.98 58.55 3iyl s VAL 385 Cb 0.00 -4.54 -0.00 0.00 -1.53 0.00 0.00 36.38 30.31 3iyl s VAL 385 CO 0.00 -1.19 -0.01 0.74 -3.33 0.00 0.00 175.10 171.31 3iyl h THR 386 N 5.94 0.00 -3.47 5.04 2.02 -1.96 -3.45 112.91 117.03 3iyl h THR 386 Ca -0.28 -0.70 -0.41 0.00 0.77 0.00 0.00 66.41 65.78 3iyl h THR 386 Cb 1.08 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 67.32 3iyl h THR 386 CO 1.11 0.00 -0.75 0.42 0.37 0.00 0.00 175.52 176.66 3iyl s THR 387 N -1.43 1.38 0.01 3.16 -4.23 -1.26 -4.85 115.64 108.41 3iyl s THR 387 Ca -0.01 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 3iyl s THR 387 Cb 0.00 -1.64 0.01 0.00 1.34 0.00 0.00 72.50 72.21 3iyl s THR 387 CO 0.01 -0.47 0.03 0.00 -0.54 0.00 0.00 174.62 173.65 3iyl n ALA 388 N 0.33 0.01 0.19 3.99 0.00 -1.26 0.16 120.51 123.93 3iyl n ALA 388 Ca -0.14 0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.42 3iyl n ALA 388 Cb 0.58 -0.02 0.48 0.00 0.00 0.00 0.00 19.45 20.49 3iyl n ALA 388 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iyl n ALA 389 N -3.62 1.15 0.11 0.00 0.00 -1.26 -1.85 120.51 115.04 3iyl n ALA 389 Ca 0.01 0.14 -0.18 0.00 0.00 0.00 0.00 53.44 53.41 3iyl n ALA 389 Cb 0.02 -1.28 -0.14 0.00 0.00 0.00 0.00 19.45 18.05 3iyl n ALA 389 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3iyl h ASN 390 N 0.00 0.50 -2.15 0.00 -0.00 0.12 -3.44 115.58 110.62 3iyl h ASN 390 Ca 0.00 -0.55 -0.51 0.00 -0.00 0.00 0.00 56.30 55.24 3iyl h ASN 390 Cb 0.07 -0.16 -0.05 0.00 -0.00 0.00 0.00 38.32 38.18 3iyl h ASN 390 CO 0.00 1.43 1.26 -0.63 -0.00 0.00 0.00 177.43 179.49 3iyl s ILE 391 N -2.64 3.48 0.00 2.57 1.01 -0.77 -0.66 121.20 124.19 3iyl s ILE 391 Ca -0.05 0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.89 3iyl s ILE 391 Cb 0.06 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.33 3iyl s ILE 391 CO 0.89 -1.15 0.88 0.41 0.00 0.00 0.00 174.94 175.97 3iyl n THR 392 N 6.99 0.00 -4.12 2.92 -1.04 0.46 -4.87 114.28 114.63 3iyl n THR 392 Ca 0.16 1.38 -0.12 0.00 -2.04 0.00 0.00 64.05 63.42 3iyl n THR 392 Cb 0.51 -1.97 -0.07 0.00 -1.82 0.00 0.00 70.33 66.98 3iyl n THR 392 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3iyl s ALA 393 N -3.56 0.67 -0.13 2.41 0.00 -0.84 -5.02 121.76 115.30 3iyl s ALA 393 Ca 0.00 -1.41 -0.04 0.00 0.00 0.00 0.00 51.96 50.51 3iyl s ALA 393 Cb 0.00 1.24 0.06 0.00 0.00 0.00 0.00 23.12 24.42 3iyl s ALA 393 CO 0.00 -0.72 0.13 0.42 0.00 0.00 0.00 175.76 175.59 3iyl s ILE 394 N -3.85 -0.20 -0.18 0.00 1.01 -1.26 -1.59 121.20 115.14 3iyl s ILE 394 Ca 0.32 0.12 -0.08 0.00 0.00 0.00 0.00 60.65 61.01 3iyl s ILE 394 Cb 0.03 -0.43 -0.04 0.00 0.01 0.00 0.00 42.46 42.02 3iyl s ILE 394 CO 0.14 -0.05 0.07 -0.89 0.00 0.00 0.00 174.94 174.20 3iyl s THR 395 N 2.23 4.82 -1.07 2.92 2.01 -0.86 -4.96 115.64 120.73 3iyl s THR 395 Ca 0.04 -0.02 -0.20 0.00 0.31 0.00 0.00 61.69 61.82 3iyl s THR 395 Cb -0.14 -3.17 0.09 0.00 0.01 0.00 0.00 72.50 69.28 3iyl s THR 395 CO -0.08 0.46 1.42 -0.69 -0.69 0.00 0.00 174.62 175.04 3iyl s VAL 396 N 0.36 4.30 -0.63 3.82 1.01 -1.26 -0.61 120.40 127.39 3iyl s VAL 396 Ca 0.03 -1.41 0.16 0.00 0.00 0.00 0.00 61.98 60.76 3iyl s VAL 396 Cb -0.12 -5.00 0.16 0.00 0.00 0.00 0.00 36.38 31.42 3iyl s VAL 396 CO -0.00 -1.81 1.50 0.55 0.00 0.00 0.00 175.10 175.34 3iyl n VAL 397 N 6.17 1.16 -2.94 2.92 3.14 -1.06 -4.51 118.33 123.21 3iyl n VAL 397 Ca 0.34 0.42 0.04 0.00 -2.96 0.00 0.00 64.34 62.19 3iyl n VAL 397 Cb 0.49 -1.34 0.00 0.00 -1.06 0.00 0.00 33.84 31.93 3iyl n VAL 397 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3iyl s SER 398 N -3.65 -0.05 0.55 6.55 0.15 -0.98 -4.75 113.70 111.52 3iyl s SER 398 Ca 0.02 -0.01 -0.01 0.00 0.70 0.00 0.00 55.95 56.66 3iyl s SER 398 Cb 0.07 0.61 0.03 0.00 -1.71 0.00 0.00 66.02 65.02 3iyl s SER 398 CO 0.23 -0.01 0.79 0.00 1.20 0.00 0.00 173.24 175.46 3iyl s ALA 399 N 2.56 3.70 -0.30 5.45 0.00 -1.26 -1.90 121.76 130.01 3iyl s ALA 399 Ca 0.25 -1.14 -0.07 0.00 0.00 0.00 0.00 51.96 51.00 3iyl s ALA 399 Cb 0.02 -2.22 0.01 0.00 0.00 0.00 0.00 23.12 20.94 3iyl s ALA 399 CO -0.20 -0.74 0.09 0.00 0.00 0.00 0.00 175.76 174.92 3iyl s ALA 400 N -2.80 3.09 0.33 0.00 0.00 -0.61 -4.96 121.76 116.81 3iyl s ALA 400 Ca 0.55 -1.47 -0.29 0.00 0.00 0.00 0.00 51.96 50.75 3iyl s ALA 400 Cb -0.10 -2.19 -0.11 0.00 0.00 0.00 0.00 23.12 20.72 3iyl s ALA 400 CO 0.40 -0.95 1.56 0.41 0.00 0.00 0.00 175.76 177.17 3iyl n GLY 401 N 4.88 1.31 0.23 0.00 0.00 -1.26 -4.53 105.19 105.81 3iyl n GLY 401 Ca -0.14 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3iyl n GLY 401 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iyl n ALA 402 N 1.44 -1.98 -0.36 4.61 0.00 -1.26 -5.04 120.51 117.92 3iyl n ALA 402 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.24 3iyl n ALA 402 Cb 0.38 -0.33 0.24 0.00 0.00 0.00 0.00 19.45 19.73 3iyl n ALA 402 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3iyl n SER 403 N -0.10 -3.56 -4.15 0.00 3.41 -1.26 -4.67 113.62 103.29 3iyl n SER 403 Ca 0.00 -0.63 -0.43 0.00 -0.26 0.00 0.00 58.87 57.55 3iyl n SER 403 Cb 0.00 -0.93 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 3iyl n SER 403 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iyl n ALA 404 N -5.23 4.65 0.00 7.33 0.00 -1.13 -3.77 120.51 122.36 3iyl n ALA 404 Ca 0.10 -4.19 0.00 0.00 0.00 0.00 0.00 53.44 49.35 3iyl n ALA 404 Cb 0.50 -3.14 0.00 0.00 0.00 0.00 0.00 19.45 16.81 3iyl n ALA 404 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3iyl n ILE 405 N 4.33 0.00 0.00 0.00 3.06 -1.26 -3.53 119.36 121.96 3iyl n ILE 405 Ca 0.41 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.66 3iyl n ILE 405 Cb 0.40 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.58 3iyl n ILE 405 CO 0.00 0.00 0.00 -3.20 -2.50 0.00 0.00 176.55 170.85 3iyl n ASN 406 N 0.00 0.00 0.04 9.51 4.05 -1.25 -4.79 115.26 122.82 3iyl n ASN 406 Ca 0.00 0.00 0.12 0.00 0.45 0.00 0.00 54.58 55.15 3iyl n ASN 406 Cb 0.00 0.00 0.13 0.00 1.23 0.00 0.00 39.78 41.14 3iyl n ASN 406 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3iyl n LEU 407 N -0.10 0.63 0.00 1.20 4.32 -1.26 -4.91 117.00 116.88 3iyl n LEU 407 Ca 0.00 0.09 -0.29 0.00 -0.02 0.00 0.00 56.01 55.78 3iyl n LEU 407 Cb 0.00 -0.17 0.21 0.00 -1.62 0.00 0.00 43.42 41.85 3iyl n LEU 407 CO 0.00 0.02 0.82 0.00 -1.22 0.00 0.00 177.39 177.02 3iyl n ALA 408 N -1.75 -1.89 0.00 -1.18 0.00 -1.26 0.13 120.51 114.56 3iyl n ALA 408 Ca 0.03 -1.70 0.00 0.00 0.00 0.00 0.00 53.44 51.77 3iyl n ALA 408 Cb 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.77 3iyl n ALA 408 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3iyl n ILE 409 N -4.02 0.00 -2.09 0.00 3.06 -1.10 -4.48 119.36 110.73 3iyl n ILE 409 Ca 0.16 0.00 -0.42 0.00 -2.50 0.00 0.00 62.75 59.99 3iyl n ILE 409 Cb 0.58 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.73 3iyl n ILE 409 CO 0.00 0.00 0.00 0.21 -2.50 0.00 0.00 176.55 174.26 3iyl s ASN 410 N 0.00 6.73 -0.38 9.51 2.47 -1.26 -1.56 114.94 130.46 3iyl s ASN 410 Ca 0.00 2.17 0.07 0.00 0.42 0.00 0.00 52.86 55.53 3iyl s ASN 410 Cb 0.00 -2.54 0.44 0.00 -1.45 0.00 0.00 41.25 37.70 3iyl s ASN 410 CO 0.00 -0.86 1.12 0.52 -3.72 0.00 0.00 177.10 174.16 3iyl n VAL 411 N 5.22 2.28 -0.06 -5.21 0.31 -1.25 -4.89 118.33 114.72 3iyl n VAL 411 Ca 0.16 -4.49 0.00 0.00 -0.01 0.00 0.00 64.34 60.00 3iyl n VAL 411 Cb 0.43 -0.99 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 3iyl n VAL 411 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3iyl n ARG 412 N -0.53 0.00 0.00 5.55 1.74 -1.26 -4.74 116.66 117.42 3iyl n ARG 412 Ca 0.37 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 3iyl n ARG 412 Cb 0.78 -0.06 0.00 0.00 -1.02 0.00 0.00 32.46 32.16 3iyl n ARG 412 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iyl n GLY 413 N -0.04 2.20 3.56 -0.13 0.00 -1.26 -4.85 105.19 104.67 3iyl n GLY 413 Ca 0.00 0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 3iyl n GLY 413 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3iyl n GLN 414 N 0.00 0.58 -1.86 1.61 6.02 -1.26 -4.95 117.38 117.53 3iyl n GLN 414 Ca 0.00 -0.75 -0.42 0.00 -0.01 0.00 0.00 57.00 55.82 3iyl n GLN 414 Cb 0.00 -3.59 -0.03 0.00 1.02 0.00 0.00 30.24 27.64 3iyl n GLN 414 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3iyl s PRO 415 N 8.82 4.18 0.45 -1.09 0.04 -1.26 -3.83 135.00 142.31 3iyl s PRO 415 Ca 0.95 2.43 0.03 0.00 0.04 0.00 0.00 61.00 64.45 3iyl s PRO 415 Cb -0.16 -3.51 0.08 0.00 0.04 0.00 0.00 34.50 30.95 3iyl s PRO 415 CO 0.11 -0.75 0.62 0.54 0.04 0.00 0.00 177.00 177.57 3iyl n ARG 416 N 5.32 0.41 -3.66 4.56 5.12 -0.60 -1.49 116.66 126.32 3iyl n ARG 416 Ca 0.16 -2.01 -0.37 0.00 -1.93 0.00 0.00 57.85 53.70 3iyl n ARG 416 Cb 0.39 -0.32 -0.11 0.00 -1.16 0.00 0.00 32.46 31.26 3iyl n ARG 416 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 3iyl s PHE 417 N -1.77 3.17 -0.08 -1.55 2.99 -0.92 -2.71 117.98 117.11 3iyl s PHE 417 Ca 0.44 -0.07 -0.31 0.00 0.00 0.00 0.00 56.93 56.99 3iyl s PHE 417 Cb -0.03 -2.32 -0.09 0.00 0.00 0.00 0.00 43.02 40.59 3iyl s PHE 417 CO 0.28 -0.22 2.04 0.09 -0.00 0.00 0.00 175.22 177.41 3iyl n ASN 418 N 4.95 3.65 -4.31 1.36 5.03 0.35 -1.20 115.26 125.09 3iyl n ASN 418 Ca -0.15 0.70 -0.51 0.00 0.87 0.00 0.00 54.58 55.49 3iyl n ASN 418 Cb 0.52 -1.48 -0.13 0.00 -1.02 0.00 0.00 39.78 37.66 3iyl n ASN 418 CO 0.00 0.00 0.00 0.80 -1.83 0.00 0.00 177.26 176.23 3iyl n MET 419 N 7.71 0.00 -3.96 3.52 1.56 -1.26 -4.80 117.12 119.88 3iyl n MET 419 Ca 0.25 0.00 -0.10 0.00 -0.27 0.00 0.00 57.70 57.58 3iyl n MET 419 Cb 0.38 -1.48 -0.12 0.00 2.15 0.00 0.00 33.22 34.15 3iyl n MET 419 CO 0.00 0.00 0.00 -0.48 -0.73 0.00 0.00 175.97 174.76 3iyl s LEU 420 N 7.26 2.20 -0.34 -0.89 0.05 -1.25 -5.01 118.68 120.71 3iyl s LEU 420 Ca 1.26 -0.42 -0.01 0.00 0.05 0.00 0.00 54.13 55.01 3iyl s LEU 420 Cb -1.38 0.08 0.07 0.00 -2.05 0.00 0.00 46.19 42.92 3iyl s LEU 420 CO 0.58 -0.25 0.06 -1.00 -0.55 0.00 0.00 176.35 175.19 3iyl s HIS 421 N -1.21 3.42 0.78 3.48 3.76 -1.26 -2.10 115.29 122.15 3iyl s HIS 421 Ca -0.13 -2.18 -0.12 0.00 -0.15 0.00 0.00 55.06 52.48 3iyl s HIS 421 Cb -0.08 -2.53 0.06 0.00 1.11 0.00 0.00 32.58 31.13 3iyl s HIS 421 CO -0.01 -0.87 1.10 -0.51 -0.85 0.00 0.00 174.74 173.60 3iyl s LEU 422 N 1.17 2.65 -0.30 0.89 1.43 -0.88 -4.93 118.68 118.72 3iyl s LEU 422 Ca 0.01 1.23 -0.19 0.00 -1.03 0.00 0.00 54.13 54.14 3iyl s LEU 422 Cb -0.21 -3.87 0.19 0.00 0.03 0.00 0.00 46.19 42.33 3iyl s LEU 422 CO -0.03 -1.83 1.26 0.00 0.23 0.00 0.00 176.35 175.98 3iyl s GLN 423 N -5.23 0.04 0.45 1.70 -2.07 -1.26 -2.43 119.66 110.86 3iyl s GLN 423 Ca 0.60 0.09 -0.02 0.00 -1.82 0.00 0.00 55.36 54.21 3iyl s GLN 423 Cb -0.13 0.06 0.09 0.00 -1.09 0.00 0.00 33.01 31.93 3iyl s GLN 423 CO 0.53 -0.02 0.62 0.00 -1.32 0.00 0.00 175.29 175.10 3iyl n ALA 424 N 4.85 -0.12 -3.05 2.60 0.00 -0.91 -4.88 120.51 119.00 3iyl n ALA 424 Ca -0.07 -1.09 -0.16 0.00 0.00 0.00 0.00 53.44 52.12 3iyl n ALA 424 Cb 0.55 0.13 -0.00 0.00 0.00 0.00 0.00 19.45 20.13 3iyl n ALA 424 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3iyl n THR 425 N -2.42 -0.18 -1.53 0.00 -1.04 -1.26 -3.52 114.28 104.32 3iyl n THR 425 Ca 0.09 -3.60 -0.46 0.00 -2.04 0.00 0.00 64.05 58.04 3iyl n THR 425 Cb 0.34 0.06 -0.02 0.00 -1.82 0.00 0.00 70.33 68.88 3iyl n THR 425 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 3iyl n PHE 426 N 0.50 0.71 -3.78 -1.42 7.35 -1.22 -4.87 117.46 114.73 3iyl n PHE 426 Ca 0.19 0.79 -0.27 0.00 -0.76 0.00 0.00 57.45 57.40 3iyl n PHE 426 Cb 0.65 -2.16 -0.17 0.00 0.35 0.00 0.00 39.48 38.16 3iyl n PHE 426 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 3iyl s GLU 427 N -1.27 0.85 0.00 -4.13 0.41 -1.26 -2.55 118.70 110.75 3iyl s GLU 427 Ca 0.62 -0.38 0.00 0.00 -0.41 0.00 0.00 54.97 54.80 3iyl s GLU 427 Cb -0.79 -1.92 0.00 0.00 -1.78 0.00 0.00 34.13 29.64 3iyl s GLU 427 CO 0.58 -0.54 0.00 0.54 -0.49 0.00 0.00 175.26 175.35 3iyl n ARG 428 N 5.01 0.00 0.19 1.61 5.12 -1.26 0.45 116.66 127.79 3iyl n ARG 428 Ca -0.09 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 55.94 3iyl n ARG 428 Cb 0.48 0.00 0.13 0.00 -1.16 0.00 0.00 32.46 31.90 3iyl n ARG 428 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 3iyl h GLU 429 N 0.00 0.00 0.00 5.56 4.11 -2.00 -3.24 114.58 119.01 3iyl h GLU 429 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3iyl h GLU 429 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3iyl h GLU 429 CO 0.00 0.03 0.03 1.79 0.07 0.00 0.00 179.01 180.93 3iyl h THR 430 N 0.00 0.00 -0.81 -1.06 1.35 -0.43 0.19 112.91 112.16 3iyl h THR 430 Ca -0.00 0.00 -0.50 0.00 -0.55 0.00 0.00 66.41 65.35 3iyl h THR 430 Cb 1.03 0.76 -0.28 0.00 -1.73 0.00 0.00 68.15 67.93 3iyl h THR 430 CO 0.00 0.00 0.32 -0.38 -0.25 0.00 0.00 175.52 175.22 3iyl n ILE 431 N -2.73 3.10 -2.24 6.82 5.41 -1.22 -5.04 119.36 123.47 3iyl n ILE 431 Ca -0.02 -2.86 -0.39 0.00 1.00 0.00 0.00 62.75 60.48 3iyl n ILE 431 Cb 0.08 -0.79 -0.02 0.00 -0.71 0.00 0.00 39.64 38.21 3iyl n ILE 431 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3iyl s THR 432 N -4.05 3.02 0.00 1.39 2.01 0.67 -3.99 115.64 114.69 3iyl s THR 432 Ca 0.56 0.88 0.00 0.00 0.31 0.00 0.00 61.69 63.44 3iyl s THR 432 Cb 0.46 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 69.47 3iyl s THR 432 CO 0.03 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.67 3iyl n GLY 433 N 0.68 1.65 2.31 4.40 0.00 -1.26 -4.88 105.19 108.08 3iyl n GLY 433 Ca 0.04 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 3iyl n GLY 433 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3iyl n ILE 434 N 0.00 0.00 -0.33 -0.61 5.41 -1.26 -4.78 119.36 117.79 3iyl n ILE 434 Ca 0.00 -0.34 0.05 0.00 1.00 0.00 0.00 62.75 63.46 3iyl n ILE 434 Cb 0.00 0.00 0.20 0.00 -0.71 0.00 0.00 39.64 39.13 3iyl n ILE 434 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 3iyl h PRO 435 N 7.19 0.89 -4.57 0.38 0.11 -1.89 -3.41 132.00 130.69 3iyl h PRO 435 Ca 0.02 -0.05 -0.56 0.00 0.11 0.00 0.00 66.00 65.52 3iyl h PRO 435 Cb 0.75 -0.20 -0.35 0.00 0.11 0.00 0.00 31.00 31.31 3iyl h PRO 435 CO 1.01 0.59 -0.82 0.71 -0.21 0.00 0.00 178.00 179.28 3iyl s TYR 436 N -6.00 1.78 -0.27 0.65 2.02 -1.26 -4.94 117.35 109.33 3iyl s TYR 436 Ca -0.12 -0.84 -0.24 0.00 -0.37 0.00 0.00 57.07 55.50 3iyl s TYR 436 Cb 0.21 -1.33 0.08 0.00 -0.40 0.00 0.00 41.96 40.53 3iyl s TYR 436 CO 0.80 -0.47 0.79 -1.50 -1.57 0.00 0.00 175.55 173.60 3iyl s ILE 437 N 1.15 0.00 0.00 2.71 2.07 -1.26 -2.62 121.20 123.25 3iyl s ILE 437 Ca -0.04 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.21 3iyl s ILE 437 Cb -0.14 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.44 3iyl s ILE 437 CO -0.03 0.00 -0.04 -0.31 -1.91 0.00 0.00 174.94 172.65 3iyl s TYR 438 N 0.46 0.34 -0.05 3.50 2.02 -0.62 -1.76 117.35 121.26 3iyl s TYR 438 Ca -0.00 -0.15 -0.21 0.00 -0.37 0.00 0.00 57.07 56.34 3iyl s TYR 438 Cb -0.05 -0.22 -0.05 0.00 -0.40 0.00 0.00 41.96 41.25 3iyl s TYR 438 CO -0.03 -0.03 0.61 0.20 -1.57 0.00 0.00 175.55 174.74 3iyl s GLY 439 N -0.36 2.58 -0.04 0.71 0.00 0.29 -0.17 107.32 110.33 3iyl s GLY 439 Ca -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 44.72 44.72 3iyl s GLY 439 CO -0.00 0.91 0.04 -2.27 0.00 0.00 0.00 173.10 171.78 3iyl s LEU 440 N 0.32 0.49 -1.18 0.66 0.20 -0.34 -0.68 118.68 118.14 3iyl s LEU 440 Ca 0.32 0.05 -0.11 0.00 0.69 0.00 0.00 54.13 55.08 3iyl s LEU 440 Cb -0.17 -0.15 0.22 0.00 -0.43 0.00 0.00 46.19 45.65 3iyl s LEU 440 CO 0.16 -0.20 1.37 0.61 -0.29 0.00 0.00 176.35 178.00 3iyl n GLY 441 N 4.92 3.88 0.00 7.98 0.00 -1.26 0.05 105.19 120.76 3iyl n GLY 441 Ca -0.11 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.65 3iyl n GLY 441 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3iyl n THR 442 N 3.66 0.00 -0.02 2.61 5.66 -1.16 0.12 114.28 125.15 3iyl n THR 442 Ca 0.32 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.30 3iyl n THR 442 Cb 0.40 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.16 3iyl n THR 442 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 3iyl n PHE 443 N 0.00 0.00 -2.66 1.09 7.35 -1.15 -2.89 117.46 119.20 3iyl n PHE 443 Ca 0.00 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.68 3iyl n PHE 443 Cb 0.00 -0.15 0.00 0.00 0.35 0.00 0.00 39.48 39.68 3iyl n PHE 443 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3iyl n LEU 444 N -2.36 -5.85 -4.72 -2.13 4.77 -1.26 -3.18 117.00 102.26 3iyl n LEU 444 Ca -0.06 0.04 -0.42 0.00 -0.03 0.00 0.00 56.01 55.54 3iyl n LEU 444 Cb 0.59 -2.79 -0.03 0.00 -2.33 0.00 0.00 43.42 38.85 3iyl n LEU 444 CO 0.05 -1.05 0.85 -0.63 -1.33 0.00 0.00 177.39 175.28 3iyl s ILE 445 N -2.85 4.06 -1.67 -0.08 1.01 -0.97 -3.56 121.20 117.13 3iyl s ILE 445 Ca 0.04 1.54 0.24 0.00 0.00 0.00 0.00 60.65 62.47 3iyl s ILE 445 Cb -0.01 -3.99 0.53 0.00 0.01 0.00 0.00 42.46 39.00 3iyl s ILE 445 CO 0.58 0.16 1.78 -0.81 0.00 0.00 0.00 174.94 176.65 3iyl n PRO 446 N 3.54 0.51 -2.78 2.79 -0.04 -1.26 0.50 135.00 138.26 3iyl n PRO 446 Ca 0.07 0.04 0.02 0.00 -0.04 0.00 0.00 63.50 63.59 3iyl n PRO 446 Cb 0.47 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.43 3iyl n PRO 446 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3iyl s SER 447 N -2.33 -0.26 0.34 3.54 1.04 -1.26 -4.84 113.70 109.92 3iyl s SER 447 Ca 0.28 -0.12 -0.28 0.00 0.48 0.00 0.00 55.95 56.31 3iyl s SER 447 Cb 0.16 0.40 -0.12 0.00 0.10 0.00 0.00 66.02 66.56 3iyl s SER 447 CO 0.32 -0.03 1.34 -0.81 0.98 0.00 0.00 173.24 175.04 3iyl n PRO 448 N 3.76 2.23 -4.28 4.02 -0.04 -1.26 -4.92 135.00 134.50 3iyl n PRO 448 Ca 0.06 0.78 -0.18 0.00 -0.04 0.00 0.00 63.50 64.12 3iyl n PRO 448 Cb 0.63 -2.40 -0.09 0.00 -0.04 0.00 0.00 33.50 31.61 3iyl n PRO 448 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3iyl s THR 449 N -1.01 0.07 0.41 0.52 2.01 -1.26 -5.04 115.64 111.33 3iyl s THR 449 Ca 0.56 -2.00 0.12 0.00 0.31 0.00 0.00 61.69 60.67 3iyl s THR 449 Cb -0.56 -2.49 0.16 0.00 0.01 0.00 0.00 72.50 69.62 3iyl s THR 449 CO 0.61 0.00 1.93 0.28 -0.69 0.00 0.00 174.62 176.76 3iyl h SER 450 N 2.23 0.12 -0.66 3.53 0.02 -2.01 -2.81 113.55 113.97 3iyl h SER 450 Ca -0.29 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 3iyl h SER 450 Cb 1.24 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.71 3iyl h SER 450 CO 0.43 0.31 0.43 0.77 -1.14 0.00 0.00 176.83 177.63 3iyl h SER 451 N 0.12 0.77 -1.30 3.07 4.64 -1.98 -2.81 113.55 116.05 3iyl h SER 451 Ca 0.02 -0.03 -0.68 0.00 -0.47 0.00 0.00 61.79 60.64 3iyl h SER 451 Cb 0.39 -0.19 -0.16 0.00 -0.31 0.00 0.00 62.40 62.12 3iyl h SER 451 CO 0.03 0.56 1.58 -1.20 -0.87 0.00 0.00 176.83 176.93 3iyl n SER 452 N -4.61 7.48 -0.19 4.97 7.64 -1.06 -4.24 113.62 123.61 3iyl n SER 452 Ca 0.05 -3.26 0.05 0.00 1.01 0.00 0.00 58.87 56.72 3iyl n SER 452 Cb 0.02 -1.28 -0.01 0.00 -1.01 0.00 0.00 64.21 61.93 3iyl n SER 452 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3iyl n ASN 453 N 1.14 1.07 -0.12 6.43 3.02 -1.06 -4.49 115.26 121.25 3iyl n ASN 453 Ca 0.56 -1.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.08 3iyl n ASN 453 Cb 0.34 0.59 0.00 0.00 -0.61 0.00 0.00 39.78 40.09 3iyl n ASN 453 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3iyl n PHE 454 N -0.46 0.00 -0.05 3.10 3.01 -1.26 -4.64 117.46 117.16 3iyl n PHE 454 Ca 0.04 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.49 3iyl n PHE 454 Cb 0.21 -0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.67 3iyl n PHE 454 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3iyl h SER 455 N 0.00 0.00 -4.42 4.37 0.02 -1.81 -3.46 113.55 108.26 3iyl h SER 455 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3iyl h SER 455 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 3iyl h SER 455 CO 0.00 0.51 -0.63 -3.20 -1.14 0.00 0.00 176.83 172.37 3iyl n ASN 456 N -4.52 -5.99 -0.89 3.07 4.05 -1.26 -4.86 115.26 104.87 3iyl n ASN 456 Ca -0.01 0.90 0.00 0.00 0.45 0.00 0.00 54.58 55.91 3iyl n ASN 456 Cb 0.05 -3.88 0.00 0.00 1.23 0.00 0.00 39.78 37.18 3iyl n ASN 456 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 3iyl n PRO 457 N 0.39 0.67 -2.00 1.20 -0.04 -1.26 -4.89 135.00 129.06 3iyl n PRO 457 Ca 0.01 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.04 3iyl n PRO 457 Cb 0.03 -1.20 -0.03 0.00 -0.04 0.00 0.00 33.50 32.26 3iyl n PRO 457 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3iyl s THR 458 N 0.03 3.54 -1.70 0.52 -1.32 -1.26 -2.94 115.64 112.51 3iyl s THR 458 Ca 0.00 0.62 0.06 0.00 -1.21 0.00 0.00 61.69 61.16 3iyl s THR 458 Cb 0.00 -3.54 0.20 0.00 -1.51 0.00 0.00 72.50 67.65 3iyl s THR 458 CO 0.00 -0.21 1.08 0.18 -2.21 0.00 0.00 174.62 173.46 3iyl n LEU 459 N 8.56 1.43 0.21 9.08 4.77 0.33 -4.05 117.00 137.33 3iyl n LEU 459 Ca 0.20 -0.72 0.15 0.00 -0.03 0.00 0.00 56.01 55.61 3iyl n LEU 459 Cb 0.44 -0.24 0.72 0.00 -2.33 0.00 0.00 43.42 42.01 3iyl n LEU 459 CO 0.65 0.30 0.95 0.24 -1.33 0.00 0.00 177.39 178.20 3iyl h MET 460 N 1.21 0.00 0.00 3.23 2.86 -1.86 -2.04 114.93 118.33 3iyl h MET 460 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3iyl h MET 460 Cb 0.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.10 3iyl h MET 460 CO 0.03 0.00 0.00 -0.40 1.06 0.00 0.00 176.91 177.60 3iyl n ASP 461 N -2.60 0.05 -4.83 1.22 3.85 -1.26 -3.63 116.55 109.35 3iyl n ASP 461 Ca -0.00 0.52 -0.30 0.00 -0.71 0.00 0.00 54.79 54.29 3iyl n ASP 461 Cb 0.15 -0.53 0.06 0.00 -1.35 0.00 0.00 41.12 39.46 3iyl n ASP 461 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 3iyl s GLY 462 N -3.04 1.64 -1.04 6.12 0.00 -0.77 -4.90 107.32 105.32 3iyl s GLY 462 Ca 0.01 -0.13 -0.22 0.00 0.00 0.00 0.00 44.72 44.38 3iyl s GLY 462 CO 0.07 0.24 1.45 -2.27 0.00 0.00 0.00 173.10 172.58 3iyl s LEU 463 N -5.58 3.69 0.27 0.66 0.20 -0.85 -4.42 118.68 112.65 3iyl s LEU 463 Ca 0.59 -1.61 -0.29 0.00 0.69 0.00 0.00 54.13 53.50 3iyl s LEU 463 Cb -0.13 -2.55 -0.09 0.00 -0.43 0.00 0.00 46.19 42.98 3iyl s LEU 463 CO 0.54 -1.43 1.11 -0.22 -0.29 0.00 0.00 176.35 176.06 3iyl s LEU 464 N 4.66 4.54 -0.40 -0.68 2.96 -1.20 -3.00 118.68 125.56 3iyl s LEU 464 Ca 0.45 2.28 0.02 0.00 -0.22 0.00 0.00 54.13 56.66 3iyl s LEU 464 Cb -0.00 -3.63 0.12 0.00 0.50 0.00 0.00 46.19 43.19 3iyl s LEU 464 CO -0.08 -0.17 0.19 -0.89 -1.32 0.00 0.00 176.35 174.08 3iyl s THR 465 N -1.06 1.39 0.19 3.68 2.01 -0.74 0.90 115.64 122.00 3iyl s THR 465 Ca 0.45 -2.28 -0.30 0.00 0.31 0.00 0.00 61.69 59.87 3iyl s THR 465 Cb -0.32 -2.00 -0.08 0.00 0.01 0.00 0.00 72.50 70.12 3iyl s THR 465 CO 0.41 -0.81 1.01 0.54 -0.69 0.00 0.00 174.62 175.08 3iyl s VAL 466 N 0.69 4.05 -0.30 3.82 0.11 -1.16 -2.87 120.40 124.74 3iyl s VAL 466 Ca 0.15 1.86 -0.01 0.00 -2.93 0.00 0.00 61.98 61.06 3iyl s VAL 466 Cb -0.22 -4.19 0.10 0.00 -1.53 0.00 0.00 36.38 30.53 3iyl s VAL 466 CO -0.06 0.36 0.09 0.42 -3.33 0.00 0.00 175.10 172.58 3iyl s THR 467 N -0.57 0.88 -0.31 5.04 -4.23 -1.12 -3.31 115.64 112.02 3iyl s THR 467 Ca 0.46 -1.33 -0.38 0.00 -1.18 0.00 0.00 61.69 59.26 3iyl s THR 467 Cb -0.27 -1.63 -0.14 0.00 1.34 0.00 0.00 72.50 71.81 3iyl s THR 467 CO 0.33 -0.61 1.97 -0.81 -0.54 0.00 0.00 174.62 174.96 3iyl n PRO 468 N 4.85 1.13 -2.96 3.99 -0.04 -1.26 -1.90 135.00 138.81 3iyl n PRO 468 Ca -0.03 0.37 -0.36 0.00 -0.04 0.00 0.00 63.50 63.44 3iyl n PRO 468 Cb 0.43 -2.26 -0.01 0.00 -0.04 0.00 0.00 33.50 31.62 3iyl n PRO 468 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3iyl n VAL 469 N 5.88 4.58 0.00 0.52 3.14 -1.13 -4.57 118.33 126.74 3iyl n VAL 469 Ca 0.34 -5.75 0.00 0.00 -2.96 0.00 0.00 64.34 55.97 3iyl n VAL 469 Cb 0.17 -1.79 0.00 0.00 -1.06 0.00 0.00 33.84 31.16 3iyl n VAL 469 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 3iyl n LEU 470 N 0.51 0.00 -0.29 6.55 -0.00 -1.26 -4.83 117.00 117.67 3iyl n LEU 470 Ca 0.34 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.46 3iyl n LEU 470 Cb 0.34 0.00 0.26 0.00 -0.00 0.00 0.00 43.42 44.02 3iyl n LEU 470 CO 0.53 0.00 0.92 -0.07 -0.00 0.00 0.00 177.39 178.77 3iyl h LEU 471 N 0.00 -0.06 -1.01 -1.96 -0.00 -1.95 -3.00 115.31 107.34 3iyl h LEU 471 Ca 0.00 0.20 0.41 0.00 -0.00 0.00 0.00 57.88 58.48 3iyl h LEU 471 Cb 0.00 0.28 -0.18 0.00 -0.00 0.00 0.00 40.66 40.76 3iyl h LEU 471 CO 0.00 -0.15 0.55 0.08 -0.00 0.00 0.00 178.44 178.91 3iyl h ARG 472 N 0.19 0.04 -5.20 1.13 0.11 -1.97 -3.38 114.38 105.29 3iyl h ARG 472 Ca 0.52 -0.00 -0.62 0.00 0.10 0.00 0.00 59.98 59.98 3iyl h ARG 472 Cb 1.03 -0.01 -0.14 0.00 1.11 0.00 0.00 29.97 31.96 3iyl h ARG 472 CO -0.65 0.03 -0.34 -1.21 0.10 0.00 0.00 179.97 177.90 3iyl s GLU 473 N -5.53 4.08 0.43 0.08 2.02 -1.13 -4.59 118.70 114.06 3iyl s GLU 473 Ca -0.09 -0.04 0.06 0.00 0.02 0.00 0.00 54.97 54.92 3iyl s GLU 473 Cb 0.33 -3.58 0.06 0.00 0.10 0.00 0.00 34.13 31.05 3iyl s GLU 473 CO 0.78 -0.07 0.50 -2.37 0.02 0.00 0.00 175.26 174.12 3iyl n THR 474 N 4.56 0.00 -3.90 3.63 5.66 -0.26 -4.93 114.28 119.05 3iyl n THR 474 Ca -0.11 -1.54 -0.14 0.00 -3.05 0.00 0.00 64.05 59.20 3iyl n THR 474 Cb 0.51 -0.45 -0.15 0.00 -1.55 0.00 0.00 70.33 68.69 3iyl n THR 474 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3iyl s THR 475 N -1.87 0.07 -0.09 1.09 2.01 -1.26 -1.19 115.64 114.40 3iyl s THR 475 Ca 0.38 0.04 -0.04 0.00 0.31 0.00 0.00 61.69 62.38 3iyl s THR 475 Cb -0.03 -0.12 0.05 0.00 0.01 0.00 0.00 72.50 72.41 3iyl s THR 475 CO 0.24 0.06 0.19 -0.47 -0.69 0.00 0.00 174.62 173.96 3iyl s TYR 476 N 0.43 -0.26 -2.11 4.92 5.04 0.21 -1.17 117.35 124.42 3iyl s TYR 476 Ca -0.04 0.69 0.00 0.00 -2.44 0.00 0.00 57.07 55.28 3iyl s TYR 476 Cb -0.06 -0.11 0.00 0.00 0.35 0.00 0.00 41.96 42.14 3iyl s TYR 476 CO -0.01 -0.26 0.00 1.63 -1.34 0.00 0.00 175.55 175.57 3iyl n LYS 477 N 4.85 -1.47 0.00 4.97 4.76 -1.26 -1.65 118.16 128.35 3iyl n LYS 477 Ca -0.14 1.17 0.00 0.00 -2.87 0.00 0.00 58.31 56.47 3iyl n LYS 477 Cb 0.51 -5.58 0.00 0.00 -1.84 0.00 0.00 35.03 28.12 3iyl n LYS 477 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3iyl n GLY 478 N -0.44 0.57 3.63 0.72 0.00 -1.26 -4.84 105.19 103.56 3iyl n GLY 478 Ca -0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 3iyl n GLY 478 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iyl s GLU 479 N -0.65 2.30 -0.17 1.61 8.01 -0.66 -4.10 118.70 125.03 3iyl s GLU 479 Ca 0.00 -1.08 -0.14 0.00 0.01 0.00 0.00 54.97 53.75 3iyl s GLU 479 Cb 0.00 -2.33 -0.04 0.00 -4.31 0.00 0.00 34.13 27.44 3iyl s GLU 479 CO 0.00 0.47 0.32 0.08 0.01 0.00 0.00 175.26 176.14 3iyl s VAL 480 N -1.56 5.28 0.37 2.63 1.01 -1.26 0.66 120.40 127.53 3iyl s VAL 480 Ca 0.25 0.58 0.05 0.00 0.00 0.00 0.00 61.98 62.86 3iyl s VAL 480 Cb -0.10 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 3iyl s VAL 480 CO 0.17 0.35 0.18 0.52 0.00 0.00 0.00 175.10 176.32 3iyl n VAL 481 N 3.80 0.00 -0.00 2.92 0.31 -0.34 -4.97 118.33 120.06 3iyl n VAL 481 Ca -0.11 -2.30 0.00 0.00 -0.01 0.00 0.00 64.34 61.92 3iyl n VAL 481 Cb 0.52 0.92 0.00 0.00 -0.91 0.00 0.00 33.84 34.36 3iyl n VAL 481 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3iyl n ASP 482 N -1.60 0.36 -3.81 4.52 8.00 -1.26 -1.10 116.55 121.66 3iyl n ASP 482 Ca -0.02 -0.68 -0.12 0.00 0.71 0.00 0.00 54.79 54.68 3iyl n ASP 482 Cb 0.59 0.63 -0.10 0.00 -0.02 0.00 0.00 41.12 42.21 3iyl n ASP 482 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iyl s ALA 483 N -0.63 -0.54 0.46 2.24 0.00 -1.26 -2.17 121.76 119.85 3iyl s ALA 483 Ca 0.00 0.33 0.08 0.00 0.00 0.00 0.00 51.96 52.37 3iyl s ALA 483 Cb 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.01 3iyl s ALA 483 CO 0.00 -0.17 0.56 0.42 0.00 0.00 0.00 175.76 176.57 3iyl s ILE 484 N -0.68 2.66 -0.36 0.00 1.01 -0.31 -4.71 121.20 118.81 3iyl s ILE 484 Ca -0.08 -1.11 0.12 0.00 0.00 0.00 0.00 60.65 59.59 3iyl s ILE 484 Cb -0.04 -2.77 0.45 0.00 0.01 0.00 0.00 42.46 40.10 3iyl s ILE 484 CO 0.02 0.00 1.03 0.52 0.00 0.00 0.00 174.94 176.51 3iyl n VAL 485 N -1.85 1.63 0.00 2.92 0.31 -1.26 -0.12 118.33 119.95 3iyl n VAL 485 Ca 0.08 -3.86 0.00 0.00 -0.01 0.00 0.00 64.34 60.55 3iyl n VAL 485 Cb 0.61 -0.16 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 3iyl n VAL 485 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3iyl n PRO 486 N -0.28 0.00 -0.61 5.55 -0.02 -1.24 0.53 135.00 138.92 3iyl n PRO 486 Ca 0.23 0.00 0.48 0.00 -2.02 0.00 0.00 63.50 62.18 3iyl n PRO 486 Cb 0.76 0.00 0.77 0.00 -0.02 0.00 0.00 33.50 35.01 3iyl n PRO 486 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iyl h ALA 487 N 0.00 3.49 -0.51 3.55 0.00 -1.57 0.57 119.26 124.79 3iyl h ALA 487 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3iyl h ALA 487 Cb 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3iyl h ALA 487 CO 0.00 -2.07 0.08 1.15 0.00 0.00 0.00 179.25 178.41 3iyl h THR 488 N 0.01 1.25 0.00 0.00 2.02 -0.22 -2.87 112.91 113.11 3iyl h THR 488 Ca 0.89 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3iyl h THR 488 Cb 3.35 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 70.63 3iyl h THR 488 CO -0.14 0.34 0.00 0.52 0.37 0.00 0.00 175.52 176.60 3iyl n VAL 489 N -4.40 0.31 -2.78 3.16 0.31 0.20 -4.57 118.33 110.56 3iyl n VAL 489 Ca 0.01 0.08 -0.38 0.00 -0.01 0.00 0.00 64.34 64.05 3iyl n VAL 489 Cb 0.26 -0.73 -0.06 0.00 -0.91 0.00 0.00 33.84 32.39 3iyl n VAL 489 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 3iyl s MET 490 N -2.51 4.63 -1.07 5.55 -1.94 -1.08 -3.91 119.30 118.98 3iyl s MET 490 Ca 0.21 1.35 -0.09 0.00 -1.71 0.00 0.00 55.69 55.46 3iyl s MET 490 Cb 0.14 -2.90 0.01 0.00 2.01 0.00 0.00 34.83 34.09 3iyl s MET 490 CO 0.31 0.33 0.16 0.00 -0.01 0.00 0.00 175.02 175.81 3iyl n ALA 491 N 0.76 -1.89 0.00 3.03 0.00 -0.73 -4.73 120.51 116.95 3iyl n ALA 491 Ca 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3iyl n ALA 491 Cb 0.49 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.94 3iyl n ALA 491 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3iyl n ASN 492 N -1.82 0.48 -4.98 0.00 2.85 0.26 -4.36 115.26 107.68 3iyl n ASN 492 Ca -0.19 -0.08 -0.20 0.00 -0.11 0.00 0.00 54.58 54.00 3iyl n ASN 492 Cb 0.48 0.25 0.00 0.00 1.24 0.00 0.00 39.78 41.76 3iyl n ASN 492 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 3iyl s GLN 493 N -0.34 3.05 0.52 1.20 1.11 -0.38 -4.88 119.66 119.93 3iyl s GLN 493 Ca 0.00 -0.88 0.07 0.00 0.01 0.00 0.00 55.36 54.57 3iyl s GLN 493 Cb 0.00 -2.73 0.04 0.00 -1.01 0.00 0.00 33.01 29.31 3iyl s GLN 493 CO 0.00 -0.10 0.51 0.95 0.01 0.00 0.00 175.29 176.67 3iyl s THR 494 N -2.32 2.08 0.14 -0.19 -4.23 -1.26 -0.62 115.64 109.23 3iyl s THR 494 Ca 0.47 -1.30 -0.16 0.00 -1.18 0.00 0.00 61.69 59.52 3iyl s THR 494 Cb -0.10 -2.38 0.07 0.00 1.34 0.00 0.00 72.50 71.44 3iyl s THR 494 CO 0.33 0.00 1.08 -1.20 -0.54 0.00 0.00 174.62 174.29 3iyl n SER 495 N -1.85 -0.58 -0.56 3.99 7.64 -1.26 -1.32 113.62 119.68 3iyl n SER 495 Ca 0.05 1.23 0.10 0.00 1.01 0.00 0.00 58.87 61.25 3iyl n SER 495 Cb 0.63 -0.23 0.03 0.00 -1.01 0.00 0.00 64.21 63.63 3iyl n SER 495 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3iyl n GLU 496 N -4.96 1.59 0.00 1.43 0.28 -1.26 -4.12 120.64 113.60 3iyl n GLU 496 Ca 0.05 -1.19 0.05 0.00 -0.16 0.00 0.00 57.16 55.91 3iyl n GLU 496 Cb 0.24 -1.38 0.32 0.00 1.43 0.00 0.00 31.44 32.05 3iyl n GLU 496 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3iyl n GLU 497 N 0.35 0.67 -0.03 3.44 2.13 -0.43 -1.45 120.64 125.33 3iyl n GLU 497 Ca 0.09 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.85 3iyl n GLU 497 Cb 0.44 -1.25 -0.02 0.00 0.27 0.00 0.00 31.44 30.88 3iyl n GLU 497 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3iyl n VAL 498 N -0.75 1.27 0.27 6.31 0.31 -1.21 -4.35 118.33 120.18 3iyl n VAL 498 Ca 0.08 0.21 0.15 0.00 -0.01 0.00 0.00 64.34 64.77 3iyl n VAL 498 Cb 0.04 -1.92 0.74 0.00 -0.91 0.00 0.00 33.84 31.79 3iyl n VAL 498 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3iyl h ALA 499 N -0.48 1.00 -0.69 3.52 0.00 -1.71 -0.38 119.26 120.51 3iyl h ALA 499 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3iyl h ALA 499 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3iyl h ALA 499 CO -0.03 0.00 0.00 0.45 0.00 0.00 0.00 179.25 179.67 3iyl n SER 500 N -2.56 3.86 -4.66 0.00 2.88 -0.53 -4.99 113.62 107.63 3iyl n SER 500 Ca -0.01 -2.00 -0.34 0.00 -1.33 0.00 0.00 58.87 55.19 3iyl n SER 500 Cb 0.12 -0.46 0.12 0.00 -0.75 0.00 0.00 64.21 63.24 3iyl n SER 500 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3iyl n ALA 501 N 1.63 -0.22 -2.62 -1.46 0.00 -0.16 -4.83 120.51 112.85 3iyl n ALA 501 Ca 0.24 -0.30 -0.40 0.00 0.00 0.00 0.00 53.44 52.97 3iyl n ALA 501 Cb 0.62 -2.19 -0.11 0.00 0.00 0.00 0.00 19.45 17.77 3iyl n ALA 501 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3iyl s LEU 502 N -4.69 4.49 -0.06 0.00 0.20 -1.26 -4.99 118.68 112.37 3iyl s LEU 502 Ca 0.73 -0.52 -0.04 0.00 0.69 0.00 0.00 54.13 54.99 3iyl s LEU 502 Cb -0.30 -2.10 -0.02 0.00 -0.43 0.00 0.00 46.19 43.33 3iyl s LEU 502 CO 0.51 -0.25 0.23 0.00 -0.29 0.00 0.00 176.35 176.55 3iyl n ALA 503 N 5.08 0.02 -2.36 5.97 0.00 -1.26 -1.65 120.51 126.31 3iyl n ALA 503 Ca -0.13 0.01 -0.07 0.00 0.00 0.00 0.00 53.44 53.26 3iyl n ALA 503 Cb 0.49 -0.21 0.03 0.00 0.00 0.00 0.00 19.45 19.76 3iyl n ALA 503 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3iyl n ASN 504 N 0.80 -4.34 -4.30 0.00 5.15 -1.26 -4.45 115.26 106.87 3iyl n ASN 504 Ca 0.06 -0.33 -0.18 0.00 -0.60 0.00 0.00 54.58 53.52 3iyl n ASN 504 Cb -0.00 -2.85 -0.11 0.00 -0.53 0.00 0.00 39.78 36.29 3iyl n ASN 504 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 3iyl s ASP 505 N -3.15 2.30 0.09 1.20 -4.77 -0.66 -3.98 116.67 107.70 3iyl s ASP 505 Ca 0.21 -0.92 -0.17 0.00 -3.30 0.00 0.00 52.55 48.37 3iyl s ASP 505 Cb -0.03 -0.10 -0.04 0.00 -1.09 0.00 0.00 42.92 41.66 3iyl s ASP 505 CO 0.37 -0.16 1.00 0.00 0.70 0.00 0.00 175.17 177.08 3iyl n ALA 506 N 0.07 -0.35 -0.28 2.11 0.00 -0.32 0.23 120.51 121.97 3iyl n ALA 506 Ca -0.12 0.47 -0.01 0.00 0.00 0.00 0.00 53.44 53.79 3iyl n ALA 506 Cb 0.59 -0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.09 3iyl n ALA 506 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3iyl h ILE 507 N 0.00 0.15 0.00 0.00 2.04 -1.95 0.95 117.51 118.70 3iyl h ILE 507 Ca 0.09 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.94 3iyl h ILE 507 Cb 0.23 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3iyl h ILE 507 CO -0.52 0.00 -0.02 0.58 0.00 0.00 0.00 178.15 178.19 3iyl h VAL 508 N -0.05 0.07 0.11 1.67 2.07 -0.54 -1.73 116.25 117.85 3iyl h VAL 508 Ca 0.33 -0.42 -0.27 0.00 0.82 0.00 0.00 66.70 67.16 3iyl h VAL 508 Cb 0.58 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3iyl h VAL 508 CO -0.82 0.02 -1.39 -0.07 0.02 0.00 0.00 177.57 175.34 3iyl h LEU 509 N 0.00 0.38 -0.09 2.57 3.38 0.24 -2.99 115.31 118.81 3iyl h LEU 509 Ca -0.00 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.12 3iyl h LEU 509 Cb 0.39 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3iyl h LEU 509 CO 0.00 1.61 0.00 0.52 0.09 0.00 0.00 178.44 180.66 3iyl n VAL 510 N -3.93 0.00 -0.04 1.22 0.31 0.27 -2.02 118.33 114.13 3iyl n VAL 510 Ca -0.25 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.03 3iyl n VAL 510 Cb 0.89 -0.11 -0.04 0.00 -0.91 0.00 0.00 33.84 33.67 3iyl n VAL 510 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3iyl n SER 511 N -0.45 3.36 0.20 4.52 2.88 -0.67 -4.19 113.62 119.27 3iyl n SER 511 Ca 0.00 -0.04 0.07 0.00 -1.33 0.00 0.00 58.87 57.58 3iyl n SER 511 Cb 0.02 0.04 0.39 0.00 -0.75 0.00 0.00 64.21 63.91 3iyl n SER 511 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3iyl h ASN 512 N 0.00 0.00 0.00 -3.46 4.21 -1.30 -1.92 115.58 113.11 3iyl h ASN 512 Ca -0.18 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.33 3iyl h ASN 512 Cb 1.31 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.51 3iyl h ASN 512 CO -0.02 0.31 -0.01 -0.74 -1.29 0.00 0.00 177.43 175.67 3iyl h HIS 513 N 0.00 0.00 -0.94 1.19 2.76 -1.67 -3.24 115.15 113.25 3iyl h HIS 513 Ca -0.00 0.00 0.20 0.00 -2.20 0.00 0.00 60.37 58.37 3iyl h HIS 513 Cb 0.82 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.70 3iyl h HIS 513 CO 0.00 0.00 0.61 -0.07 -1.30 0.00 0.00 177.93 177.17 3iyl h LEU 514 N -0.99 0.53 -1.73 0.26 3.38 -1.72 0.45 115.31 115.49 3iyl h LEU 514 Ca 0.00 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.07 3iyl h LEU 514 Cb 0.01 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3iyl h LEU 514 CO 0.00 0.20 0.26 0.78 0.09 0.00 0.00 178.44 179.77 3iyl h ASN 515 N 0.52 0.30 0.15 -0.43 4.21 -1.45 1.02 115.58 119.89 3iyl h ASN 515 Ca 0.51 -0.00 -0.01 0.00 1.21 0.00 0.00 56.30 58.01 3iyl h ASN 515 Cb 1.09 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 38.23 3iyl h ASN 515 CO -0.24 0.20 -0.07 0.11 -1.29 0.00 0.00 177.43 176.14 3iyl h LYS 516 N 0.34 -0.19 -0.08 0.81 1.79 -0.94 -2.83 116.57 115.47 3iyl h LYS 516 Ca 0.16 0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.67 3iyl h LYS 516 Cb 0.21 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.90 3iyl h LYS 516 CO -0.04 0.25 0.07 1.25 -1.08 0.00 0.00 179.45 179.91 3iyl h LEU 517 N -0.82 0.00 -1.16 2.94 7.12 -1.12 0.50 115.31 122.78 3iyl h LEU 517 Ca -0.02 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 57.93 3iyl h LEU 517 Cb 0.53 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.66 3iyl h LEU 517 CO 0.03 0.00 -0.29 0.00 -0.13 0.00 0.00 178.44 178.06 3iyl h ALA 518 N 1.93 1.07 0.00 1.25 0.00 0.11 -2.87 119.26 120.75 3iyl h ALA 518 Ca 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3iyl h ALA 518 Cb 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3iyl h ALA 518 CO -0.00 0.36 -1.05 0.09 0.00 0.00 0.00 179.25 178.65 3iyl n ASN 519 N -3.53 0.61 -0.02 0.00 3.02 0.17 -1.94 115.26 113.56 3iyl n ASN 519 Ca -0.00 -0.16 -0.15 0.00 -0.03 0.00 0.00 54.58 54.23 3iyl n ASN 519 Cb 0.44 0.80 -0.11 0.00 -0.61 0.00 0.00 39.78 40.30 3iyl n ASN 519 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3iyl h VAL 520 N 0.00 1.51 0.31 2.41 2.07 -1.27 -1.38 116.25 119.89 3iyl h VAL 520 Ca 0.00 -1.90 -0.02 0.00 0.82 0.00 0.00 66.70 65.61 3iyl h VAL 520 Cb 0.75 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 33.19 3iyl h VAL 520 CO 0.00 0.53 -0.15 -0.37 0.02 0.00 0.00 177.57 177.60 3iyl h VAL 521 N -0.40 0.67 -0.92 2.57 -1.51 -1.61 -0.40 116.25 114.65 3iyl h VAL 521 Ca -0.03 -0.62 0.27 0.00 -1.23 0.00 0.00 66.70 65.08 3iyl h VAL 521 Cb 1.02 0.98 -0.15 0.00 -2.13 0.00 0.00 31.29 31.00 3iyl h VAL 521 CO 0.06 0.12 0.30 1.23 -1.23 0.00 0.00 177.57 178.04 3iyl h GLY 522 N -0.78 1.55 0.00 5.19 0.00 -1.50 -2.26 103.07 105.27 3iyl h GLY 522 Ca -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3iyl h GLY 522 CO 0.07 -0.44 0.00 1.22 0.00 0.00 0.00 176.54 177.39 3iyl n ASP 523 N -5.22 0.00 0.28 0.19 8.00 -0.52 -4.73 116.55 114.56 3iyl n ASP 523 Ca 0.25 0.23 -0.11 0.00 0.71 0.00 0.00 54.79 55.86 3iyl n ASP 523 Cb 0.79 -0.11 -0.05 0.00 -0.02 0.00 0.00 41.12 41.72 3iyl n ASP 523 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iyl h ALA 524 N -2.00 -1.06 -2.78 2.24 0.00 -1.08 -3.45 119.26 111.14 3iyl h ALA 524 Ca 0.00 -0.16 -0.52 0.00 0.00 0.00 0.00 54.91 54.23 3iyl h ALA 524 Cb 0.00 0.28 0.09 0.00 0.00 0.00 0.00 17.79 18.16 3iyl h ALA 524 CO 0.00 -1.00 0.51 0.42 0.00 0.00 0.00 179.25 179.18 3iyl s ILE 525 N -4.36 2.82 -1.00 0.00 1.01 -0.85 -4.95 121.20 113.87 3iyl s ILE 525 Ca -0.11 0.60 -0.05 0.00 0.00 0.00 0.00 60.65 61.09 3iyl s ILE 525 Cb 0.01 -3.30 0.07 0.00 0.01 0.00 0.00 42.46 39.25 3iyl s ILE 525 CO 0.32 -0.02 2.61 -0.81 0.00 0.00 0.00 174.94 177.04 3iyl n PRO 526 N -0.74 3.72 0.00 2.79 -0.04 -1.26 -4.52 135.00 134.95 3iyl n PRO 526 Ca 0.09 -2.90 0.00 0.00 -0.04 0.00 0.00 63.50 60.64 3iyl n PRO 526 Cb 0.48 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 3iyl n PRO 526 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3iyl n VAL 527 N 1.62 0.02 -2.60 0.52 0.31 -1.26 -3.47 118.33 113.46 3iyl n VAL 527 Ca 0.58 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.82 3iyl n VAL 527 Cb 0.38 -0.33 0.04 0.00 -0.91 0.00 0.00 33.84 33.01 3iyl n VAL 527 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3iyl n ALA 528 N 0.19 3.47 -3.66 3.52 0.00 -1.26 -4.68 120.51 118.09 3iyl n ALA 528 Ca 0.00 -3.18 -0.09 0.00 0.00 0.00 0.00 53.44 50.18 3iyl n ALA 528 Cb 0.16 -0.74 -0.02 0.00 0.00 0.00 0.00 19.45 18.85 3iyl n ALA 528 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3iyl s SER 529 N -3.61 -0.37 0.00 0.00 1.04 -1.23 -5.03 113.70 104.51 3iyl s SER 529 Ca 0.34 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.45 3iyl s SER 529 Cb 0.37 0.63 0.00 0.00 0.10 0.00 0.00 66.02 67.12 3iyl s SER 529 CO -0.02 -1.10 0.84 0.54 0.98 0.00 0.00 173.24 174.47 3iyl n ARG 530 N -0.42 0.70 -0.53 4.02 1.74 -1.26 -4.29 116.66 116.63 3iyl n ARG 530 Ca -0.09 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.00 3iyl n ARG 530 Cb 0.62 -1.15 0.21 0.00 -1.02 0.00 0.00 32.46 31.12 3iyl n ARG 530 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3iyl n THR 531 N 0.85 1.64 -3.23 0.55 -2.24 -1.26 -4.93 114.28 105.66 3iyl n THR 531 Ca 0.00 -0.82 -0.09 0.00 -2.27 0.00 0.00 64.05 60.87 3iyl n THR 531 Cb 0.35 -0.42 -0.01 0.00 -2.10 0.00 0.00 70.33 68.15 3iyl n THR 531 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3iyl n ASP 532 N 0.26 -0.17 -4.27 3.42 8.00 -1.26 -4.80 116.55 117.73 3iyl n ASP 532 Ca 0.18 -0.31 -0.32 0.00 0.71 0.00 0.00 54.79 55.04 3iyl n ASP 532 Cb 0.83 -0.38 0.18 0.00 -0.02 0.00 0.00 41.12 41.72 3iyl n ASP 532 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3iyl n ASP 533 N -0.26 -2.37 -0.10 -2.24 5.68 -1.26 -4.57 116.55 111.43 3iyl n ASP 533 Ca -0.06 -0.14 0.16 0.00 -0.50 0.00 0.00 54.79 54.25 3iyl n ASP 533 Cb 0.16 -0.95 0.56 0.00 -1.14 0.00 0.00 41.12 39.75 3iyl n ASP 533 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3iyl h SER 534 N -2.11 0.27 0.31 -1.12 4.64 -1.96 -0.85 113.55 112.73 3iyl h SER 534 Ca -0.54 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 60.78 3iyl h SER 534 Cb 1.36 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3iyl h SER 534 CO 0.39 0.14 -0.15 0.00 -0.87 0.00 0.00 176.83 176.34 3iyl h ALA 535 N 1.68 -0.66 0.00 5.18 0.00 -1.92 -1.98 119.26 121.56 3iyl h ALA 535 Ca 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3iyl h ALA 535 Cb 0.85 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3iyl h ALA 535 CO -0.08 -0.63 0.00 0.25 0.00 0.00 0.00 179.25 178.79 3iyl n THR 536 N -3.81 1.25 0.01 0.00 -2.24 -1.16 -1.69 114.28 106.64 3iyl n THR 536 Ca -0.05 0.31 -0.19 0.00 -2.27 0.00 0.00 64.05 61.85 3iyl n THR 536 Cb 0.16 -1.23 -0.14 0.00 -2.10 0.00 0.00 70.33 67.02 3iyl n THR 536 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 3iyl h SER 537 N 0.00 0.36 -0.91 3.42 0.87 -1.09 -3.03 113.55 113.17 3iyl h SER 537 Ca 0.00 -0.77 -0.02 0.00 -1.23 0.00 0.00 61.79 59.77 3iyl h SER 537 Cb 0.06 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 61.86 3iyl h SER 537 CO 0.00 1.69 0.50 0.00 -0.53 0.00 0.00 176.83 178.49 3iyl h ALA 538 N 0.26 1.16 -0.28 6.23 0.00 -0.53 -2.67 119.26 123.43 3iyl h ALA 538 Ca -0.39 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 3iyl h ALA 538 Cb 2.04 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 3iyl h ALA 538 CO 0.10 0.67 -0.13 0.82 0.00 0.00 0.00 179.25 180.70 3iyl h ILE 539 N 1.27 1.29 -0.96 0.00 2.04 -1.67 -3.14 117.51 116.35 3iyl h ILE 539 Ca 0.32 -1.21 0.13 0.00 1.00 0.00 0.00 64.86 65.10 3iyl h ILE 539 Cb 0.02 1.49 -0.09 0.00 -0.74 0.00 0.00 36.82 37.50 3iyl h ILE 539 CO -0.05 0.38 0.59 0.58 0.00 0.00 0.00 178.15 179.65 3iyl h VAL 540 N 0.33 0.87 0.00 1.67 2.07 -1.36 0.10 116.25 119.92 3iyl h VAL 540 Ca 0.06 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 3iyl h VAL 540 Cb 0.64 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3iyl h VAL 540 CO 0.04 0.16 -0.27 0.77 0.02 0.00 0.00 177.57 178.29 3iyl h SER 541 N 0.90 0.00 -0.02 0.57 4.64 -1.44 -1.56 113.55 116.64 3iyl h SER 541 Ca 0.49 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.79 3iyl h SER 541 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3iyl h SER 541 CO -0.29 0.27 -0.09 0.03 -0.87 0.00 0.00 176.83 175.88 3iyl h ARG 542 N 0.00 0.10 -0.88 4.77 2.47 -0.81 -2.70 114.38 117.33 3iyl h ARG 542 Ca -0.00 -0.08 0.12 0.00 -1.26 0.00 0.00 59.98 58.76 3iyl h ARG 542 Cb 0.51 0.02 -0.08 0.00 -1.65 0.00 0.00 29.97 28.76 3iyl h ARG 542 CO 0.04 0.74 0.51 -0.07 0.56 0.00 0.00 179.97 181.74 3iyl h LEU 543 N -0.52 0.70 0.08 3.04 3.38 -0.94 0.17 115.31 121.22 3iyl h LEU 543 Ca -0.01 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3iyl h LEU 543 Cb 0.76 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3iyl h LEU 543 CO 0.02 0.36 -0.04 0.00 0.09 0.00 0.00 178.44 178.87 3iyl h ALA 544 N 1.51 -0.98 -1.24 1.53 0.00 -1.33 0.53 119.26 119.29 3iyl h ALA 544 Ca 0.45 -0.02 0.36 0.00 0.00 0.00 0.00 54.91 55.69 3iyl h ALA 544 Cb 0.50 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 3iyl h ALA 544 CO -0.29 -0.97 1.03 0.28 0.00 0.00 0.00 179.25 179.29 3iyl h VAL 545 N -0.11 0.20 0.00 0.00 2.07 -1.27 0.70 116.25 117.83 3iyl h VAL 545 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3iyl h VAL 545 Cb 0.08 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3iyl h VAL 545 CO 0.02 0.00 -0.12 -0.61 0.02 0.00 0.00 177.57 176.88 3iyl h GLN 546 N 0.00 0.00 0.00 1.57 -0.00 -0.41 -3.26 115.11 113.01 3iyl h GLN 546 Ca 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.24 3iyl h GLN 546 Cb 2.64 0.00 0.00 0.00 0.00 0.00 0.00 27.48 30.12 3iyl h GLN 546 CO -0.01 0.00 0.00 1.25 0.00 0.00 0.00 178.83 180.07 3iyl h HIS 547 N -0.96 0.00 0.13 3.99 2.76 0.13 -2.46 115.15 118.75 3iyl h HIS 547 Ca 0.00 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 57.89 3iyl h HIS 547 Cb 0.12 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.09 3iyl h HIS 547 CO -0.05 0.00 -1.24 -0.22 -1.30 0.00 0.00 177.93 175.11 3iyl h LYS 548 N 0.00 0.38 0.00 5.26 3.11 0.23 -3.15 116.57 122.41 3iyl h LYS 548 Ca 0.00 -0.59 -0.06 0.00 -2.81 0.00 0.00 60.65 57.19 3iyl h LYS 548 Cb 0.07 0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.50 3iyl h LYS 548 CO 0.00 1.26 -0.58 1.37 -2.81 0.00 0.00 179.45 178.69 3iyl h LEU 549 N 0.13 0.00 -0.29 5.20 8.10 -1.49 -2.99 115.31 123.97 3iyl h LEU 549 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.83 3iyl h LEU 549 Cb 1.94 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.16 3iyl h LEU 549 CO 0.22 0.26 0.00 -1.54 -4.11 0.00 0.00 178.44 173.26 3iyl n SER 550 N -3.02 0.44 0.03 0.17 3.41 -1.01 -2.06 113.62 111.58 3iyl n SER 550 Ca 0.00 0.58 0.07 0.00 -0.26 0.00 0.00 58.87 59.26 3iyl n SER 550 Cb 0.65 -0.69 -0.09 0.00 -0.26 0.00 0.00 64.21 63.82 3iyl n SER 550 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3iyl n GLN 551 N -1.96 0.64 -1.92 4.33 -0.06 -1.14 -4.93 117.38 112.33 3iyl n GLN 551 Ca 0.04 0.02 -0.39 0.00 -2.00 0.00 0.00 57.00 54.67 3iyl n GLN 551 Cb 0.27 -1.69 0.02 0.00 -4.06 0.00 0.00 30.24 24.78 3iyl n GLN 551 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 3iyl s VAL 552 N -3.23 2.37 0.18 1.69 1.01 -0.87 -4.31 120.40 117.23 3iyl s VAL 552 Ca -0.05 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.23 3iyl s VAL 552 Cb 0.11 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.33 3iyl s VAL 552 CO 0.84 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.57 3iyl n GLY 553 N 0.63 -4.65 0.00 4.51 0.00 -1.26 -5.01 105.19 99.41 3iyl n GLY 553 Ca 0.07 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3iyl n GLY 553 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3iyl n GLN 554 N 0.80 0.00 0.01 1.61 7.27 -1.26 -4.74 117.38 121.07 3iyl n GLN 554 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3iyl n GLN 554 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 3iyl n GLN 554 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3iyl n ALA 555 N 1.08 0.00 -4.32 1.69 0.00 -1.26 -4.66 120.51 113.04 3iyl n ALA 555 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 3iyl n ALA 555 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3iyl n ALA 555 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3iyl n SER 556 N -0.26 -0.70 0.03 0.00 3.41 -1.26 -4.76 113.62 110.08 3iyl n SER 556 Ca 0.00 -1.19 0.05 0.00 -0.26 0.00 0.00 58.87 57.47 3iyl n SER 556 Cb 0.07 -1.51 0.23 0.00 -0.26 0.00 0.00 64.21 62.75 3iyl n SER 556 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3iyl n PRO 557 N -4.07 0.04 -3.99 4.33 -0.04 -1.26 -4.35 135.00 125.66 3iyl n PRO 557 Ca -0.05 0.42 -0.31 0.00 -0.04 0.00 0.00 63.50 63.52 3iyl n PRO 557 Cb 0.52 -1.59 -0.15 0.00 -0.04 0.00 0.00 33.50 32.24 3iyl n PRO 557 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3iyl s THR 558 N -3.10 2.39 0.12 0.52 2.01 -1.26 -5.08 115.64 111.24 3iyl s THR 558 Ca 0.03 -2.62 -0.31 0.00 0.31 0.00 0.00 61.69 59.09 3iyl s THR 558 Cb 0.05 -2.73 -0.09 0.00 0.01 0.00 0.00 72.50 69.74 3iyl s THR 558 CO 0.16 -0.66 1.57 -2.16 -0.69 0.00 0.00 174.62 172.84 3iyl s PRO 559 N 0.56 4.22 0.31 4.92 0.04 -1.26 -4.90 135.00 138.90 3iyl s PRO 559 Ca 0.13 2.30 -0.19 0.00 0.04 0.00 0.00 61.00 63.27 3iyl s PRO 559 Cb -0.21 -3.33 -0.14 0.00 0.04 0.00 0.00 34.50 30.86 3iyl s PRO 559 CO -0.06 -0.63 0.15 -0.35 0.04 0.00 0.00 177.00 176.15 3iyl n PRO 560 N 4.56 0.00 0.00 0.56 -0.04 -1.26 -4.95 135.00 133.87 3iyl n PRO 560 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 3iyl n PRO 560 Cb 0.40 -0.86 0.00 0.00 -0.04 0.00 0.00 33.50 33.00 3iyl n PRO 560 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3iyl n ASP 561 N 1.96 0.00 0.00 3.54 2.03 -1.26 -5.00 116.55 117.82 3iyl n ASP 561 Ca 0.11 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.59 3iyl n ASP 561 Cb 0.32 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 3iyl n ASP 561 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 3iyl n TYR 562 N -0.84 0.00 -0.19 -0.67 0.53 -1.26 -4.69 117.16 110.04 3iyl n TYR 562 Ca 0.00 0.00 0.04 0.00 -1.02 0.00 0.00 57.90 56.92 3iyl n TYR 562 Cb 0.00 0.00 0.32 0.00 -1.03 0.00 0.00 39.34 38.63 3iyl n TYR 562 CO 0.00 0.00 0.00 -1.35 -1.02 0.00 0.00 176.86 174.49 3iyl h PRO 563 N 0.00 0.82 0.00 -0.72 0.11 -1.99 0.56 132.00 130.78 3iyl h PRO 563 Ca 0.00 -0.05 -0.19 0.00 0.11 0.00 0.00 66.00 65.87 3iyl h PRO 563 Cb 0.00 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 30.90 3iyl h PRO 563 CO 0.00 0.54 -0.91 1.25 -0.21 0.00 0.00 178.00 178.67 3iyl h LEU 564 N 0.84 0.02 0.03 2.35 6.46 -1.99 -2.89 115.31 120.14 3iyl h LEU 564 Ca 0.30 -0.02 -0.22 0.00 -0.12 0.00 0.00 57.88 57.82 3iyl h LEU 564 Cb 0.13 -0.01 0.02 0.00 -0.73 0.00 0.00 40.66 40.07 3iyl h LEU 564 CO -0.09 0.92 -0.87 -0.07 -0.62 0.00 0.00 178.44 177.71 3iyl h LEU 565 N 0.01 0.71 -0.17 2.25 3.38 -1.76 -0.82 115.31 118.91 3iyl h LEU 565 Ca -0.01 -0.78 0.01 0.00 0.09 0.00 0.00 57.88 57.18 3iyl h LEU 565 Cb 1.61 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 3iyl h LEU 565 CO 0.12 1.41 0.09 -0.50 0.09 0.00 0.00 178.44 179.64 3iyl h TRP 566 N 0.09 0.16 -0.16 1.13 4.06 0.03 -0.40 115.95 120.86 3iyl h TRP 566 Ca -0.12 0.01 -0.08 0.00 2.06 0.00 0.00 58.89 60.76 3iyl h TRP 566 Cb 1.57 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 29.67 3iyl h TRP 566 CO 0.13 0.09 -0.25 -0.09 -3.56 0.00 0.00 178.44 174.76 3iyl h ARG 567 N 0.18 0.29 -0.19 0.49 2.43 -1.57 -0.56 114.38 115.46 3iyl h ARG 567 Ca 0.07 -0.10 -0.20 0.00 -0.81 0.00 0.00 59.98 58.94 3iyl h ARG 567 Cb 0.01 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3iyl h ARG 567 CO -0.05 0.53 -0.67 -0.09 -1.51 0.00 0.00 179.97 178.18 3iyl h ARG 568 N 0.26 0.72 0.00 0.20 2.43 -0.75 -3.02 114.38 114.22 3iyl h ARG 568 Ca 0.04 -0.53 -0.02 0.00 -0.81 0.00 0.00 59.98 58.66 3iyl h ARG 568 Cb 0.59 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3iyl h ARG 568 CO 0.04 1.15 -0.11 0.00 -1.51 0.00 0.00 179.97 179.54 3iyl h ALA 569 N 0.71 0.95 -0.38 2.80 0.00 -0.91 -2.50 119.26 119.94 3iyl h ALA 569 Ca -0.02 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 3iyl h ALA 569 Cb 1.28 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3iyl h ALA 569 CO 0.14 0.14 -0.23 -0.22 0.00 0.00 0.00 179.25 179.08 3iyl h LYS 570 N 0.00 0.82 0.00 0.00 1.63 -1.00 -0.49 116.57 117.53 3iyl h LYS 570 Ca -0.00 -0.38 -0.05 0.00 -0.85 0.00 0.00 60.65 59.37 3iyl h LYS 570 Cb 0.89 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.50 3iyl h LYS 570 CO 0.01 1.01 -0.24 0.07 -3.45 0.00 0.00 179.45 176.86 3iyl h ARG 571 N 0.62 0.00 0.11 1.90 0.11 -1.49 -0.52 114.38 115.11 3iyl h ARG 571 Ca 0.08 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.15 3iyl h ARG 571 Cb 0.79 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.87 3iyl h ARG 571 CO 0.06 0.24 -0.05 0.00 0.10 0.00 0.00 179.97 180.32 3iyl h ALA 572 N 1.76 -0.15 -0.32 0.08 0.00 -1.14 0.90 119.26 120.39 3iyl h ALA 572 Ca -0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 3iyl h ALA 572 Cb 1.07 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3iyl h ALA 572 CO 0.03 -0.34 -0.08 0.00 0.00 0.00 0.00 179.25 178.86 3iyl h ALA 573 N 0.15 1.28 -0.16 0.00 0.00 -1.10 -2.16 119.26 117.26 3iyl h ALA 573 Ca -0.02 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 3iyl h ALA 573 Cb 0.50 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3iyl h ALA 573 CO 0.02 0.48 -0.19 1.03 0.00 0.00 0.00 179.25 180.59 3iyl h SER 574 N 0.49 0.45 0.03 0.00 0.87 -1.01 -2.37 113.55 112.02 3iyl h SER 574 Ca 0.10 -0.50 -0.00 0.00 -1.23 0.00 0.00 61.79 60.16 3iyl h SER 574 Cb 0.44 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.27 3iyl h SER 574 CO 0.02 0.86 -0.02 -0.03 -0.53 0.00 0.00 176.83 177.13 3iyl h MET 575 N 0.06 0.00 0.36 2.24 -1.53 0.11 -1.03 114.93 115.14 3iyl h MET 575 Ca 0.02 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.27 3iyl h MET 575 Cb 0.74 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.79 3iyl h MET 575 CO 0.05 0.02 -0.17 0.35 0.14 0.00 0.00 176.91 177.29 3iyl h PHE 576 N 0.00 -0.45 -1.02 1.39 3.04 -1.18 -2.25 116.94 116.47 3iyl h PHE 576 Ca -0.00 -0.01 0.30 0.00 3.98 0.00 0.00 57.97 62.24 3iyl h PHE 576 Cb 0.04 0.15 -0.14 0.00 2.56 0.00 0.00 35.95 38.56 3iyl h PHE 576 CO 0.00 -0.28 0.60 0.28 -2.02 0.00 0.00 178.31 176.90 3iyl h VAL 577 N -1.01 0.38 0.00 1.41 2.07 -1.19 -1.31 116.25 116.61 3iyl h VAL 577 Ca -0.05 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3iyl h VAL 577 Cb 0.37 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 3iyl h VAL 577 CO 0.08 0.07 0.00 -0.24 0.02 0.00 0.00 177.57 177.50 3iyl n SER 578 N -4.94 0.00 -3.86 0.57 2.88 -0.41 -4.36 113.62 103.49 3iyl n SER 578 Ca 0.30 0.91 -0.28 0.00 -1.33 0.00 0.00 58.87 58.47 3iyl n SER 578 Cb 0.93 -0.41 -0.12 0.00 -0.75 0.00 0.00 64.21 63.86 3iyl n SER 578 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 3iyl s ASN 579 N -2.11 4.56 0.32 -3.46 2.47 -0.85 -4.97 114.94 110.90 3iyl s ASN 579 Ca 0.00 -3.76 0.16 0.00 0.42 0.00 0.00 52.86 49.68 3iyl s ASN 579 Cb 0.00 -1.55 1.12 0.00 -1.45 0.00 0.00 41.25 39.38 3iyl s ASN 579 CO 0.00 -0.10 1.42 -2.65 -3.72 0.00 0.00 177.10 172.05 3iyl n PRO 580 N 2.09 -0.06 -0.03 0.43 -0.02 -0.53 -1.91 135.00 134.98 3iyl n PRO 580 Ca 0.20 1.26 -0.15 0.00 -2.02 0.00 0.00 63.50 62.78 3iyl n PRO 580 Cb 0.36 -2.21 -0.10 0.00 -0.02 0.00 0.00 33.50 31.53 3iyl n PRO 580 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3iyl h SER 581 N 0.00 -1.73 -0.24 2.55 0.87 -1.88 -3.13 113.55 109.99 3iyl h SER 581 Ca 0.73 0.21 0.07 0.00 -1.23 0.00 0.00 61.79 61.57 3iyl h SER 581 Cb 1.87 0.68 -0.04 0.00 -0.44 0.00 0.00 62.40 64.47 3iyl h SER 581 CO -0.72 -0.47 0.03 0.18 -0.53 0.00 0.00 176.83 175.32 3iyl n LEU 582 N -5.42 -0.01 0.00 2.23 4.77 -0.80 -0.55 117.00 117.22 3iyl n LEU 582 Ca -0.05 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 3iyl n LEU 582 Cb 0.37 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3iyl n LEU 582 CO 0.07 -0.42 0.02 0.00 -1.33 0.00 0.00 177.39 175.73 3iyl n ALA 583 N -3.41 1.18 -0.02 -1.18 0.00 -1.18 0.06 120.51 115.96 3iyl n ALA 583 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.52 3iyl n ALA 583 Cb 0.21 -0.79 -0.07 0.00 0.00 0.00 0.00 19.45 18.80 3iyl n ALA 583 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3iyl n LEU 584 N -0.45 0.00 -4.70 0.00 4.77 0.29 -2.60 117.00 114.32 3iyl n LEU 584 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 3iyl n LEU 584 Cb 0.00 0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 3iyl n LEU 584 CO 0.00 0.06 0.62 -1.10 -1.33 0.00 0.00 177.39 175.64 3iyl s GLN 585 N -2.50 4.46 0.04 3.23 -0.21 0.11 -0.58 119.66 124.21 3iyl s GLN 585 Ca -0.04 1.21 -0.30 0.00 0.02 0.00 0.00 55.36 56.25 3iyl s GLN 585 Cb 0.05 -3.49 -0.08 0.00 1.00 0.00 0.00 33.01 30.49 3iyl s GLN 585 CO 0.37 -0.12 1.69 0.08 -2.12 0.00 0.00 175.29 175.19 3iyl s VAL 586 N 1.35 3.15 0.00 1.09 1.01 0.21 -3.47 120.40 123.74 3iyl s VAL 586 Ca 0.45 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.91 3iyl s VAL 586 Cb -0.19 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.89 3iyl s VAL 586 CO 0.21 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.90 3iyl n GLY 587 N 4.10 1.99 3.30 4.51 0.00 -1.26 -4.82 105.19 113.00 3iyl n GLY 587 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 3iyl n GLY 587 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iyl s ILE 588 N -2.00 3.39 -0.04 -0.61 -1.09 -1.23 -5.07 121.20 114.56 3iyl s ILE 588 Ca 0.00 -0.64 -0.37 0.00 -2.23 0.00 0.00 60.65 57.41 3iyl s ILE 588 Cb 0.00 -2.62 -0.16 0.00 -1.58 0.00 0.00 42.46 38.10 3iyl s ILE 588 CO 0.00 0.31 1.53 -0.81 -1.23 0.00 0.00 174.94 174.74 3iyl n PRO 589 N 4.79 1.30 0.00 2.79 -0.04 -1.26 -2.86 135.00 139.72 3iyl n PRO 589 Ca -0.17 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 3iyl n PRO 589 Cb 0.49 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 3iyl n PRO 589 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3iyl n VAL 590 N 3.45 0.00 -0.05 0.52 0.31 -1.26 -4.53 118.33 116.77 3iyl n VAL 590 Ca 0.21 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.58 3iyl n VAL 590 Cb 0.19 0.00 0.08 0.00 -0.91 0.00 0.00 33.84 33.19 3iyl n VAL 590 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3iyl n LEU 591 N 0.00 0.04 -0.79 7.52 4.77 -1.26 0.22 117.00 127.51 3iyl n LEU 591 Ca 0.00 0.24 0.07 0.00 -0.03 0.00 0.00 56.01 56.29 3iyl n LEU 591 Cb 0.00 -0.11 0.19 0.00 -2.33 0.00 0.00 43.42 41.17 3iyl n LEU 591 CO 0.00 -0.27 0.66 0.35 -1.33 0.00 0.00 177.39 176.81 3iyl n THR 592 N -3.41 0.57 -2.97 -5.08 -2.24 -1.13 -4.78 114.28 95.24 3iyl n THR 592 Ca 0.05 -0.57 -0.36 0.00 -2.27 0.00 0.00 64.05 60.90 3iyl n THR 592 Cb 0.18 0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.63 3iyl n THR 592 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3iyl s GLN 593 N -1.43 4.33 0.40 -0.78 -0.21 0.13 -4.77 119.66 117.33 3iyl s GLN 593 Ca 0.29 1.03 0.18 0.00 0.02 0.00 0.00 55.36 56.87 3iyl s GLN 593 Cb 0.15 -2.74 1.09 0.00 1.00 0.00 0.00 33.01 32.51 3iyl s GLN 593 CO 0.20 0.29 1.78 0.66 -2.12 0.00 0.00 175.29 176.09 3iyl h SER 594 N 3.06 0.46 0.00 5.90 4.64 -1.89 -3.17 113.55 122.54 3iyl h SER 594 Ca -0.48 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3iyl h SER 594 Cb 1.19 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3iyl h SER 594 CO 0.65 0.10 0.00 0.61 -0.87 0.00 0.00 176.83 177.32 3iyl n GLY 595 N -1.47 -2.80 2.54 -0.77 0.00 -1.26 -4.54 105.19 96.89 3iyl n GLY 595 Ca 0.25 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 46.12 3iyl n GLY 595 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3iyl n MET 596 N -1.63 0.00 0.00 1.61 2.81 -1.20 -1.80 117.12 116.91 3iyl n MET 596 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3iyl n MET 596 Cb 0.00 -0.83 0.00 0.00 -0.71 0.00 0.00 33.22 31.68 3iyl n MET 596 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3iyl n LEU 597 N 2.64 0.00 -0.18 4.03 4.77 -1.26 -3.97 117.00 123.03 3iyl n LEU 597 Ca 0.01 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 3iyl n LEU 597 Cb 0.44 0.00 0.41 0.00 -2.33 0.00 0.00 43.42 41.94 3iyl n LEU 597 CO 0.44 0.00 1.21 -1.28 -1.33 0.00 0.00 177.39 176.43 3iyl h SER 598 N 0.00 0.56 0.07 -1.43 0.87 -1.75 0.92 113.55 112.79 3iyl h SER 598 Ca 0.00 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3iyl h SER 598 Cb 0.00 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 3iyl h SER 598 CO 0.00 0.32 -0.04 0.00 -0.53 0.00 0.00 176.83 176.59 3iyl h ALA 599 N 1.63 -0.25 -0.06 6.23 0.00 -1.48 -3.30 119.26 122.02 3iyl h ALA 599 Ca 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3iyl h ALA 599 Cb 0.54 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3iyl h ALA 599 CO -0.13 -0.25 0.00 -0.11 0.00 0.00 0.00 179.25 178.77 3iyl n LEU 600 N -2.96 0.00 -0.12 0.00 7.94 -1.04 -2.08 117.00 118.73 3iyl n LEU 600 Ca -0.01 0.77 -0.06 0.00 -1.11 0.00 0.00 56.01 55.59 3iyl n LEU 600 Cb 0.04 -0.38 -0.05 0.00 0.53 0.00 0.00 43.42 43.56 3iyl n LEU 600 CO 0.03 -0.38 0.50 0.71 -1.11 0.00 0.00 177.39 177.14 3iyl h THR 601 N 0.00 0.00 0.00 1.96 1.35 -1.02 0.60 112.91 115.80 3iyl h THR 601 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3iyl h THR 601 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 3iyl h THR 601 CO 0.00 0.00 0.39 0.77 -0.25 0.00 0.00 175.52 176.43 3iyl h SER 602 N -0.12 0.00 0.00 5.36 4.64 -1.50 0.69 113.55 122.62 3iyl h SER 602 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3iyl h SER 602 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3iyl h SER 602 CO -0.36 0.00 -0.02 1.23 -0.87 0.00 0.00 176.83 176.81 3iyl h GLY 603 N 0.00 0.00 -1.51 -0.77 0.00 0.70 -3.21 103.07 98.28 3iyl h GLY 603 Ca 0.00 0.00 0.48 0.00 0.00 0.00 0.00 47.33 47.81 3iyl h GLY 603 CO 0.00 0.00 1.03 -0.62 0.00 0.00 0.00 176.54 176.95 3iyl n VAL 604 N -2.34 -0.14 0.00 4.60 0.31 -0.22 -0.33 118.33 120.21 3iyl n VAL 604 Ca -0.00 1.55 0.00 0.00 -0.01 0.00 0.00 64.34 65.88 3iyl n VAL 604 Cb 0.01 -2.56 0.00 0.00 -0.91 0.00 0.00 33.84 30.38 3iyl n VAL 604 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3iyl n GLY 605 N -1.63 -2.97 0.39 2.92 0.00 0.22 -1.77 105.19 102.35 3iyl n GLY 605 Ca 0.39 0.12 0.21 0.00 0.00 0.00 0.00 46.02 46.74 3iyl n GLY 605 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3iyl h THR 606 N 0.00 0.56 -0.91 2.61 1.35 -0.90 -0.50 112.91 115.12 3iyl h THR 606 Ca 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.88 3iyl h THR 606 Cb 0.00 0.69 -0.05 0.00 -1.73 0.00 0.00 68.15 67.06 3iyl h THR 606 CO 0.00 0.00 0.60 0.00 -0.25 0.00 0.00 175.52 175.87 3iyl h ALA 607 N 1.63 1.19 -0.06 6.62 0.00 -0.47 -2.14 119.26 126.03 3iyl h ALA 607 Ca 0.24 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 3iyl h ALA 607 Cb 1.09 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3iyl h ALA 607 CO -0.00 0.51 -0.68 -0.07 0.00 0.00 0.00 179.25 179.00 3iyl h LEU 608 N 1.19 0.29 -3.33 0.00 3.38 -0.26 -3.09 115.31 113.51 3iyl h LEU 608 Ca 0.35 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 3iyl h LEU 608 Cb -0.07 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3iyl h LEU 608 CO -0.10 0.88 -0.05 0.54 0.09 0.00 0.00 178.44 179.81 3iyl n ARG 609 N -3.82 1.35 0.00 1.13 1.74 -0.80 -3.27 116.66 112.99 3iyl n ARG 609 Ca -0.03 -0.44 0.00 0.00 -0.77 0.00 0.00 57.85 56.61 3iyl n ARG 609 Cb 0.67 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 3iyl n ARG 609 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3iyl n THR 610 N 1.63 0.00 -0.13 0.55 -2.24 -1.21 -4.99 114.28 107.89 3iyl n THR 610 Ca 0.14 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 62.10 3iyl n THR 610 Cb 0.61 0.00 0.27 0.00 -2.10 0.00 0.00 70.33 69.11 3iyl n THR 610 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iyl n GLY 611 N 0.00 -0.49 4.06 3.38 0.00 -1.17 -4.82 105.19 106.16 3iyl n GLY 611 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3iyl n GLY 611 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3iyl n SER 612 N -2.53 0.00 0.00 1.61 7.64 -1.26 -4.05 113.62 115.03 3iyl n SER 612 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.03 3iyl n SER 612 Cb 0.99 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.19 3iyl n SER 612 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3iyl n LEU 613 N 0.00 0.00 -1.95 -3.43 7.94 -1.26 -4.96 117.00 113.34 3iyl n LEU 613 Ca 0.00 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.74 3iyl n LEU 613 Cb 0.00 0.01 0.00 0.00 0.53 0.00 0.00 43.42 43.96 3iyl n LEU 613 CO 0.00 -0.01 1.28 0.61 -1.11 0.00 0.00 177.39 178.16 3iyl n GLY 614 N -1.18 3.82 0.27 -3.96 0.00 -1.26 -4.03 105.19 98.85 3iyl n GLY 614 Ca 0.00 -1.08 0.15 0.00 0.00 0.00 0.00 46.02 45.09 3iyl n GLY 614 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3iyl h LYS 615 N 1.78 0.00 0.00 1.61 3.64 -1.88 -2.32 116.57 119.40 3iyl h LYS 615 Ca 0.26 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 3iyl h LYS 615 Cb 0.93 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 3iyl h LYS 615 CO 0.63 0.09 0.00 0.41 -2.27 0.00 0.00 179.45 178.31 3iyl n GLY 616 N -0.23 -0.41 0.17 5.01 0.00 -1.26 -2.62 105.19 105.85 3iyl n GLY 616 Ca -0.01 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.08 3iyl n GLY 616 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3iyl h VAL 617 N 0.00 0.00 -2.60 1.61 3.04 -1.68 -3.15 116.25 113.47 3iyl h VAL 617 Ca 0.00 -0.15 -0.55 0.00 -1.01 0.00 0.00 66.70 65.00 3iyl h VAL 617 Cb 0.03 0.81 -0.01 0.00 -2.01 0.00 0.00 31.29 30.11 3iyl h VAL 617 CO 0.00 0.00 1.10 -0.89 -1.01 0.00 0.00 177.57 176.77 3iyl s THR 618 N -3.48 3.55 -1.29 3.17 2.01 -1.08 -2.29 115.64 116.23 3iyl s THR 618 Ca 0.01 0.66 -0.03 0.00 0.31 0.00 0.00 61.69 62.64 3iyl s THR 618 Cb 0.08 -3.43 0.02 0.00 0.01 0.00 0.00 72.50 69.18 3iyl s THR 618 CO 0.32 -0.06 0.20 0.47 -0.69 0.00 0.00 174.62 174.86 3iyl n ASP 619 N 7.21 -4.50 -0.05 3.53 8.00 -1.26 -4.77 116.55 124.71 3iyl n ASP 619 Ca 0.17 -0.03 0.07 0.00 0.71 0.00 0.00 54.79 55.71 3iyl n ASP 619 Cb 0.43 -3.75 0.37 0.00 -0.02 0.00 0.00 41.12 38.15 3iyl n ASP 619 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iyl n ALA 620 N -2.67 2.57 -0.08 2.24 0.00 -0.97 -2.25 120.51 119.35 3iyl n ALA 620 Ca -0.13 -0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.12 3iyl n ALA 620 Cb 0.61 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 3iyl n ALA 620 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3iyl h SER 621 N 0.18 0.00 0.43 0.00 0.87 -1.86 -3.08 113.55 110.08 3iyl h SER 621 Ca 0.00 -0.09 -0.11 0.00 -1.23 0.00 0.00 61.79 60.37 3iyl h SER 621 Cb 0.04 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 3iyl h SER 621 CO 0.00 0.88 -0.48 -0.33 -0.53 0.00 0.00 176.83 176.37 3iyl h GLU 622 N -1.00 0.06 -0.60 2.24 5.08 -1.96 0.11 114.58 118.50 3iyl h GLU 622 Ca -0.06 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 3iyl h GLU 622 Cb 0.64 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 3iyl h GLU 622 CO -0.04 0.53 0.16 -0.22 -1.00 0.00 0.00 179.01 178.44 3iyl h LYS 623 N 0.05 0.96 0.15 2.33 3.64 -1.64 0.12 116.57 122.17 3iyl h LYS 623 Ca -0.00 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.15 3iyl h LYS 623 Cb 0.86 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 3iyl h LYS 623 CO 0.06 0.87 -0.07 1.25 -2.27 0.00 0.00 179.45 179.29 3iyl h LEU 624 N 0.87 -0.17 -2.24 5.20 6.46 -1.30 -2.36 115.31 121.77 3iyl h LEU 624 Ca 0.19 -0.30 0.05 0.00 -0.12 0.00 0.00 57.88 57.70 3iyl h LEU 624 Cb 0.33 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 3iyl h LEU 624 CO -0.00 0.23 0.18 -0.09 -0.62 0.00 0.00 178.44 178.14 3iyl h ARG 625 N -0.60 0.00 0.08 1.25 1.12 -0.65 0.72 114.38 116.30 3iyl h ARG 625 Ca -0.02 0.00 -0.25 0.00 -1.11 0.00 0.00 59.98 58.60 3iyl h ARG 625 Cb 0.46 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.41 3iyl h ARG 625 CO 0.03 0.00 -1.14 0.00 -3.11 0.00 0.00 179.97 175.76 3iyl h ALA 626 N 1.79 0.21 -0.30 2.80 0.00 -0.57 -2.69 119.26 120.51 3iyl h ALA 626 Ca 0.08 -0.87 -0.14 0.00 0.00 0.00 0.00 54.91 53.99 3iyl h ALA 626 Cb 0.44 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3iyl h ALA 626 CO -0.00 1.02 -0.37 0.00 0.00 0.00 0.00 179.25 179.90 3iyl h ARG 627 N 0.07 0.68 -0.11 0.00 3.08 -0.36 -2.14 114.38 115.60 3iyl h ARG 627 Ca -0.09 -0.34 -0.08 0.00 0.07 0.00 0.00 59.98 59.54 3iyl h ARG 627 Cb 1.86 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.90 3iyl h ARG 627 CO 0.18 0.94 -0.31 1.96 -1.07 0.00 0.00 179.97 181.67 3iyl h GLN 628 N 0.56 0.21 -0.72 0.04 4.20 -1.30 -1.62 115.11 116.49 3iyl h GLN 628 Ca 0.05 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 3iyl h GLN 628 Cb 0.89 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.63 3iyl h GLN 628 CO 0.08 0.50 0.36 1.03 -0.67 0.00 0.00 178.83 180.13 3iyl h SER 629 N 0.18 0.91 -0.04 1.46 0.87 -1.08 -1.15 113.55 114.71 3iyl h SER 629 Ca 0.03 -0.09 -0.17 0.00 -1.23 0.00 0.00 61.79 60.33 3iyl h SER 629 Cb 0.65 -0.23 0.01 0.00 -0.44 0.00 0.00 62.40 62.39 3iyl h SER 629 CO 0.05 0.75 -0.63 -0.07 -0.53 0.00 0.00 176.83 176.40 3iyl h LEU 630 N 1.01 0.62 -1.80 2.23 3.38 -0.88 -2.88 115.31 116.99 3iyl h LEU 630 Ca 0.25 -0.71 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 3iyl h LEU 630 Cb 0.07 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3iyl h LEU 630 CO -0.04 1.25 -0.15 0.00 0.09 0.00 0.00 178.44 179.59 3iyl h THR 631 N 0.05 0.86 -0.11 0.22 1.03 -1.12 0.36 112.91 114.20 3iyl h THR 631 Ca -0.07 -0.57 -0.17 0.00 -0.01 0.00 0.00 66.41 65.59 3iyl h THR 631 Cb 1.31 1.33 -0.01 0.00 -1.07 0.00 0.00 68.15 69.71 3iyl h THR 631 CO 0.13 0.15 -0.65 0.58 -0.01 0.00 0.00 175.52 175.71 3iyl h VAL 632 N 0.00 1.36 0.05 0.00 2.07 -1.18 0.31 116.25 118.85 3iyl h VAL 632 Ca -0.00 -1.99 -0.23 0.00 0.82 0.00 0.00 66.70 65.29 3iyl h VAL 632 Cb 0.32 1.98 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 3iyl h VAL 632 CO 0.02 0.60 -1.03 0.00 0.02 0.00 0.00 177.57 177.19 3iyl h ALA 633 N 0.98 0.32 0.00 1.67 0.00 -1.03 -2.86 119.26 118.33 3iyl h ALA 633 Ca -0.01 -0.78 -0.13 0.00 0.00 0.00 0.00 54.91 53.99 3iyl h ALA 633 Cb 1.21 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3iyl h ALA 633 CO 0.11 0.92 -0.60 -0.22 0.00 0.00 0.00 179.25 179.47 3iyl h LYS 634 N 0.13 0.00 -0.29 0.00 3.64 -0.26 -2.33 116.57 117.45 3iyl h LYS 634 Ca -0.08 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.20 3iyl h LYS 634 Cb 1.70 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.51 3iyl h LYS 634 CO 0.17 0.60 -0.24 0.37 -2.27 0.00 0.00 179.45 178.07 3iyl h GLN 635 N 0.00 0.56 -0.60 1.90 5.75 -0.93 -1.91 115.11 119.89 3iyl h GLN 635 Ca -0.01 -0.22 -0.00 0.00 -0.15 0.00 0.00 58.65 58.28 3iyl h GLN 635 Cb 1.14 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.63 3iyl h GLN 635 CO 0.08 0.76 0.36 0.00 -2.65 0.00 0.00 178.83 177.38 3iyl h ALA 636 N 1.25 1.51 0.72 3.38 0.00 -1.19 -1.79 119.26 123.13 3iyl h ALA 636 Ca 0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3iyl h ALA 636 Cb 0.68 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.24 3iyl h ALA 636 CO 0.05 0.43 -0.34 0.35 0.00 0.00 0.00 179.25 179.73 3iyl h PHE 637 N 0.82 -0.89 -1.27 0.00 -0.00 -0.95 -3.01 116.94 111.64 3iyl h PHE 637 Ca 0.22 -0.02 0.37 0.00 -0.00 0.00 0.00 57.97 58.53 3iyl h PHE 637 Cb -0.03 0.29 -0.05 0.00 -0.00 0.00 0.00 35.95 36.16 3iyl h PHE 637 CO 0.00 -0.55 0.92 0.74 -0.00 0.00 0.00 178.31 179.42 3iyl h PHE 638 N -1.24 0.00 -0.11 0.41 0.04 -1.17 0.44 116.94 115.32 3iyl h PHE 638 Ca -0.10 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.60 3iyl h PHE 638 Cb 0.74 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.88 3iyl h PHE 638 CO 0.00 -0.00 -0.24 -0.44 -0.60 0.00 0.00 178.31 177.03 3iyl h ASP 639 N 0.00 0.18 0.16 2.17 3.32 -1.19 -0.74 116.42 120.32 3iyl h ASP 639 Ca 0.61 -0.05 -0.24 0.00 0.02 0.00 0.00 57.03 57.37 3iyl h ASP 639 Cb 2.43 -0.05 0.02 0.00 0.22 0.00 0.00 39.33 41.96 3iyl h ASP 639 CO -0.01 0.43 -1.09 1.56 -1.72 0.00 0.00 179.24 178.42 3iyl h GLN 640 N 0.17 0.34 -0.91 3.56 4.20 -0.12 -2.59 115.11 119.76 3iyl h GLN 640 Ca 0.03 -0.58 0.21 0.00 0.06 0.00 0.00 58.65 58.37 3iyl h GLN 640 Cb 0.53 0.21 -0.07 0.00 0.30 0.00 0.00 27.48 28.45 3iyl h GLN 640 CO 0.04 1.28 0.60 0.82 -0.67 0.00 0.00 178.83 180.90 3iyl h ILE 641 N -0.25 0.66 0.00 2.54 1.08 -1.31 0.35 117.51 120.58 3iyl h ILE 641 Ca -0.20 -0.13 -0.07 0.00 -0.39 0.00 0.00 64.86 64.07 3iyl h ILE 641 Cb 1.78 0.25 -0.01 0.00 -3.07 0.00 0.00 36.82 35.77 3iyl h ILE 641 CO 0.16 0.07 -0.31 1.23 -0.69 0.00 0.00 178.15 178.60 3iyl h GLY 642 N 0.38 0.00 0.00 5.37 0.00 -1.08 -3.25 103.07 104.48 3iyl h GLY 642 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 3iyl h GLY 642 CO -0.17 0.00 -0.66 -1.14 0.00 0.00 0.00 176.54 174.57 3iyl n SER 643 N -3.44 1.29 -0.38 0.19 3.41 0.11 -4.41 113.62 110.40 3iyl n SER 643 Ca 0.00 0.22 -0.05 0.00 -0.26 0.00 0.00 58.87 58.78 3iyl n SER 643 Cb 0.49 -0.65 -0.02 0.00 -0.26 0.00 0.00 64.21 63.78 3iyl n SER 643 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3iyl h LEU 644 N -0.66 -1.69 -7.66 1.04 3.38 -1.26 -2.28 115.31 106.18 3iyl h LEU 644 Ca 0.00 0.31 -0.79 0.00 0.09 0.00 0.00 57.88 57.49 3iyl h LEU 644 Cb 0.66 0.82 -0.27 0.00 0.09 0.00 0.00 40.66 41.95 3iyl h LEU 644 CO 0.00 -0.27 0.32 0.26 0.09 0.00 0.00 178.44 178.83 3iyl s TRP 645 N -5.79 4.09 -2.00 1.13 0.51 -1.23 -5.11 118.94 110.55 3iyl s TRP 645 Ca -0.13 -2.45 0.16 0.00 -2.12 0.00 0.00 56.10 51.55 3iyl s TRP 645 Cb 0.16 -3.82 0.93 0.00 -0.81 0.00 0.00 33.47 29.93 3iyl s TRP 645 CO 0.68 -0.96 1.34 -0.35 -0.51 0.00 0.00 176.95 177.15