#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1noi n LYS 11 N 0.00 3.48 0.00 -0.14 4.01 -1.26 -1.25 118.16 123.00 1noi n LYS 11 Ca 0.00 -2.37 0.00 0.00 -0.51 0.00 0.00 58.31 55.43 1noi n LYS 11 Cb 0.00 -2.94 0.00 0.00 -0.51 0.00 0.00 35.03 31.58 1noi n LYS 11 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 1noi n GLN 12 N 4.28 0.58 -2.71 1.97 0.00 -1.26 -4.94 117.38 115.30 1noi n GLN 12 Ca 0.70 0.00 -0.42 0.00 -0.00 0.00 0.00 57.00 57.28 1noi n GLN 12 Cb 0.28 -0.18 -0.03 0.00 0.00 0.00 0.00 30.24 30.30 1noi n GLN 12 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1noi s ILE 13 N -0.74 4.10 0.08 1.69 1.01 -0.38 -4.93 121.20 122.04 1noi s ILE 13 Ca 0.00 0.23 -0.13 0.00 0.00 0.00 0.00 60.65 60.74 1noi s ILE 13 Cb 0.00 -4.73 0.02 0.00 0.01 0.00 0.00 42.46 37.76 1noi s ILE 13 CO 0.00 -1.48 0.31 -0.55 0.00 0.00 0.00 174.94 173.22 1noi s SER 14 N 3.39 -0.11 0.38 3.58 0.15 -1.26 -5.04 113.70 114.78 1noi s SER 14 Ca 0.31 -0.34 0.26 0.00 0.70 0.00 0.00 55.95 56.87 1noi s SER 14 Cb -0.12 0.40 0.67 0.00 -1.71 0.00 0.00 66.02 65.26 1noi s SER 14 CO 0.16 -0.73 1.72 0.58 1.20 0.00 0.00 173.24 176.17 1noi h VAL 15 N 2.79 0.00 0.00 4.45 2.07 -1.99 -3.46 116.25 120.12 1noi h VAL 15 Ca -0.33 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1noi h VAL 15 Cb 1.22 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1noi h VAL 15 CO 0.49 0.00 0.00 -1.14 0.02 0.00 0.00 177.57 176.94 1noi n ARG 16 N -2.80 0.00 -1.58 1.57 3.00 -1.26 -2.74 116.66 112.86 1noi n ARG 16 Ca 0.04 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.60 1noi n ARG 16 Cb 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.86 1noi n ARG 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1noi n GLY 17 N 0.00 4.51 0.06 5.14 0.00 -1.26 -4.28 105.19 109.35 1noi n GLY 17 Ca 0.00 -1.94 -0.01 0.00 0.00 0.00 0.00 46.02 44.07 1noi n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1noi n LEU 18 N 0.92 0.00 -4.12 0.99 4.32 -1.11 -4.85 117.00 113.15 1noi n LEU 18 Ca 0.51 0.00 -0.36 0.00 -0.02 0.00 0.00 56.01 56.13 1noi n LEU 18 Cb 0.50 0.26 -0.11 0.00 -1.62 0.00 0.00 43.42 42.45 1noi n LEU 18 CO 0.38 0.26 -0.13 0.00 -1.22 0.00 0.00 177.39 176.68 1noi s ALA 19 N -2.79 3.23 -0.98 -1.18 0.00 -1.26 -4.95 121.76 113.82 1noi s ALA 19 Ca -0.08 -2.64 -0.00 0.00 0.00 0.00 0.00 51.96 49.23 1noi s ALA 19 Cb 0.08 -2.46 0.32 0.00 0.00 0.00 0.00 23.12 21.06 1noi s ALA 19 CO 0.75 -1.85 1.75 0.41 0.00 0.00 0.00 175.76 176.83 1noi n GLY 20 N 4.44 6.07 0.00 0.00 0.00 -1.26 -4.92 105.19 109.53 1noi n GLY 20 Ca -0.01 -2.60 0.00 0.00 0.00 0.00 0.00 46.02 43.41 1noi n GLY 20 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1noi n VAL 21 N -0.10 0.00 -2.48 1.61 0.31 -1.26 -3.58 118.33 112.83 1noi n VAL 21 Ca 0.46 1.28 -0.40 0.00 -0.01 0.00 0.00 64.34 65.67 1noi n VAL 21 Cb 0.27 -1.73 -0.03 0.00 -0.91 0.00 0.00 33.84 31.44 1noi n VAL 21 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1noi s GLU 22 N -2.69 3.20 -0.30 5.55 -6.30 -1.26 -4.84 118.70 112.07 1noi s GLU 22 Ca 0.00 -0.37 -0.16 0.00 -2.50 0.00 0.00 54.97 51.94 1noi s GLU 22 Cb 0.00 -4.53 0.16 0.00 0.00 0.00 0.00 34.13 29.76 1noi s GLU 22 CO 0.00 -2.28 1.03 1.21 0.02 0.00 0.00 175.26 175.24 1noi s ASN 23 N 4.69 -0.47 0.03 -1.70 3.84 -1.24 -5.02 114.94 115.08 1noi s ASN 23 Ca 0.43 0.69 -0.24 0.00 0.21 0.00 0.00 52.86 53.95 1noi s ASN 23 Cb -0.06 1.38 -0.16 0.00 -0.55 0.00 0.00 41.25 41.85 1noi s ASN 23 CO 0.09 -0.10 1.44 0.58 -2.79 0.00 0.00 177.10 176.32 1noi h VAL 24 N 5.23 1.26 -0.79 -5.21 2.07 -1.88 -0.80 116.25 116.13 1noi h VAL 24 Ca -0.21 -0.80 0.16 0.00 0.82 0.00 0.00 66.70 66.67 1noi h VAL 24 Cb 1.15 1.69 -0.10 0.00 -1.52 0.00 0.00 31.29 32.51 1noi h VAL 24 CO 0.14 0.22 0.31 0.74 0.02 0.00 0.00 177.57 179.00 1noi h THR 25 N -0.21 0.60 0.03 2.57 2.02 -1.96 0.28 112.91 116.23 1noi h THR 25 Ca 0.01 -0.14 -0.21 0.00 0.77 0.00 0.00 66.41 66.84 1noi h THR 25 Cb 0.35 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1noi h THR 25 CO 0.00 0.08 -0.97 -0.33 0.37 0.00 0.00 175.52 174.67 1noi h GLU 26 N 0.42 0.14 -0.57 6.66 4.39 -1.87 -2.20 114.58 121.56 1noi h GLU 26 Ca 0.45 -0.19 -0.10 0.00 0.34 0.00 0.00 59.36 59.86 1noi h GLU 26 Cb 0.73 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.42 1noi h GLU 26 CO -0.44 1.00 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.28 1noi h LEU 27 N 0.06 1.03 -0.93 1.33 3.38 0.54 -0.58 115.31 120.15 1noi h LEU 27 Ca -0.05 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.52 1noi h LEU 27 Cb 1.65 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 1noi h LEU 27 CO 0.14 1.11 -0.01 0.11 0.09 0.00 0.00 178.44 179.89 1noi h LYS 28 N 0.92 0.78 0.22 1.13 1.57 -0.52 -1.49 116.57 119.18 1noi h LYS 28 Ca 0.15 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1noi h LYS 28 Cb 0.61 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1noi h LYS 28 CO 0.04 0.79 -0.10 -0.22 -0.57 0.00 0.00 179.45 179.39 1noi h LYS 29 N 0.73 -0.28 -0.25 3.15 3.64 -0.88 -2.66 116.57 120.01 1noi h LYS 29 Ca 0.14 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 1noi h LYS 29 Cb 0.45 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1noi h LYS 29 CO 0.02 -0.10 -0.19 -0.91 -2.27 0.00 0.00 179.45 176.00 1noi h ASN 30 N -0.41 0.44 -0.38 4.20 2.35 -0.96 -0.76 115.58 120.05 1noi h ASN 30 Ca -0.03 -0.13 0.02 0.00 -0.55 0.00 0.00 56.30 55.61 1noi h ASN 30 Cb 0.31 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 1noi h ASN 30 CO 0.05 0.65 0.22 0.15 -1.65 0.00 0.00 177.43 176.85 1noi h PHE 31 N 0.41 0.42 -0.47 1.19 3.04 -1.25 -0.90 116.94 119.38 1noi h PHE 31 Ca 0.07 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.02 1noi h PHE 31 Cb 0.57 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.92 1noi h PHE 31 CO 0.02 0.24 0.26 -0.91 -2.02 0.00 0.00 178.31 175.90 1noi h ASN 32 N 0.46 0.59 -0.50 0.41 2.35 -0.94 -0.63 115.58 117.30 1noi h ASN 32 Ca 0.15 -0.09 0.08 0.00 -0.55 0.00 0.00 56.30 55.89 1noi h ASN 32 Cb 0.01 -0.15 -0.07 0.00 0.05 0.00 0.00 38.32 38.16 1noi h ASN 32 CO -0.07 0.51 0.12 0.03 -1.65 0.00 0.00 177.43 176.36 1noi h ARG 33 N 0.62 0.25 -0.22 0.81 3.08 -0.83 -2.23 114.38 115.86 1noi h ARG 33 Ca 0.16 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.12 1noi h ARG 33 Cb 0.05 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 1noi h ARG 33 CO -0.03 0.17 -0.16 0.45 -1.07 0.00 0.00 179.97 179.33 1noi h HIS 34 N 0.26 0.57 -0.76 3.04 3.86 -0.63 0.25 115.15 121.74 1noi h HIS 34 Ca 0.25 -0.16 0.02 0.00 -1.16 0.00 0.00 60.37 59.32 1noi h HIS 34 Cb 0.33 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.63 1noi h HIS 34 CO -0.22 0.80 0.49 1.25 0.86 0.00 0.00 177.93 181.12 1noi h LEU 35 N 0.18 0.83 0.02 2.43 5.85 -1.02 0.16 115.31 123.77 1noi h LEU 35 Ca 0.04 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1noi h LEU 35 Cb 0.68 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1noi h LEU 35 CO 0.04 0.59 -0.01 0.45 -0.34 0.00 0.00 178.44 179.17 1noi h HIS 36 N 0.98 -0.02 0.00 1.25 3.86 -1.38 -2.64 115.15 117.20 1noi h HIS 36 Ca 0.29 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 1noi h HIS 36 Cb -0.05 0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.43 1noi h HIS 36 CO -0.03 0.21 -1.06 1.19 0.86 0.00 0.00 177.93 179.10 1noi n PHE 37 N -4.76 0.42 -0.05 2.45 3.72 0.87 -2.32 117.46 117.80 1noi n PHE 37 Ca -0.03 0.12 -0.20 0.00 -0.05 0.00 0.00 57.45 57.29 1noi n PHE 37 Cb 0.12 -0.57 -0.13 0.00 -0.94 0.00 0.00 39.48 37.95 1noi n PHE 37 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1noi n THR 38 N -2.14 1.67 0.01 4.37 -1.04 0.47 -4.57 114.28 113.05 1noi n THR 38 Ca 0.01 -0.62 -0.02 0.00 -2.04 0.00 0.00 64.05 61.38 1noi n THR 38 Cb 0.47 -1.61 -0.11 0.00 -1.82 0.00 0.00 70.33 67.26 1noi n THR 38 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1noi n LEU 39 N -3.40 0.71 -3.35 -4.42 4.32 -0.60 -5.02 117.00 105.26 1noi n LEU 39 Ca -0.37 0.32 -0.16 0.00 -0.02 0.00 0.00 56.01 55.78 1noi n LEU 39 Cb 1.03 0.13 0.04 0.00 -1.62 0.00 0.00 43.42 43.00 1noi n LEU 39 CO 0.37 0.22 0.07 0.52 -1.22 0.00 0.00 177.39 177.35 1noi n VAL 40 N -2.86 -8.22 -4.29 4.08 0.31 -0.98 -5.02 118.33 101.36 1noi n VAL 40 Ca -0.13 -0.86 -0.18 0.00 -0.01 0.00 0.00 64.34 63.16 1noi n VAL 40 Cb 0.90 -5.84 -0.09 0.00 -0.91 0.00 0.00 33.84 27.90 1noi n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1noi s LYS 41 N -4.46 1.63 0.18 5.55 -0.14 -1.02 -5.05 119.74 116.44 1noi s LYS 41 Ca 0.31 -1.93 -0.13 0.00 -1.36 0.00 0.00 55.97 52.85 1noi s LYS 41 Cb -0.07 0.19 0.01 0.00 -1.68 0.00 0.00 37.83 36.28 1noi s LYS 41 CO 0.79 -0.56 0.40 0.16 -0.76 0.00 0.00 175.35 175.38 1noi s ASP 42 N -3.34 -0.10 0.58 2.83 1.47 -1.26 -3.98 116.67 112.86 1noi s ASP 42 Ca 0.39 -0.69 0.33 0.00 1.18 0.00 0.00 52.55 53.75 1noi s ASP 42 Cb 0.04 0.51 1.79 0.00 -0.34 0.00 0.00 42.92 44.91 1noi s ASP 42 CO 0.22 -0.98 2.00 0.08 0.68 0.00 0.00 175.17 177.17 1noi h ARG 43 N 2.37 0.00 0.00 2.11 0.11 -1.98 0.90 114.38 117.89 1noi h ARG 43 Ca -0.30 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.78 1noi h ARG 43 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 1noi h ARG 43 CO 0.42 0.00 -0.13 0.09 0.10 0.00 0.00 179.97 180.46 1noi n ASN 44 N -2.78 0.42 -0.00 0.08 4.13 -1.26 -4.01 115.26 111.84 1noi n ASN 44 Ca -0.02 0.40 0.00 0.00 1.68 0.00 0.00 54.58 56.64 1noi n ASN 44 Cb 0.20 -0.45 -0.01 0.00 -1.54 0.00 0.00 39.78 37.98 1noi n ASN 44 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1noi n VAL 45 N -1.84 0.04 -2.07 2.41 0.31 -0.28 -5.04 118.33 111.86 1noi n VAL 45 Ca 0.06 -0.05 -0.36 0.00 -0.01 0.00 0.00 64.34 63.98 1noi n VAL 45 Cb 0.38 -0.01 0.02 0.00 -0.91 0.00 0.00 33.84 33.32 1noi n VAL 45 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1noi s ALA 46 N -2.09 2.66 0.30 3.52 0.00 0.15 -4.90 121.76 121.40 1noi s ALA 46 Ca -0.01 1.00 0.09 0.00 0.00 0.00 0.00 51.96 53.04 1noi s ALA 46 Cb 0.01 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 19.63 1noi s ALA 46 CO 0.07 -1.04 -0.11 -0.08 0.00 0.00 0.00 175.76 174.59 1noi s THR 47 N -1.58 2.05 0.28 0.00 -1.32 -1.26 -4.95 115.64 108.85 1noi s THR 47 Ca 0.74 -2.22 -0.06 0.00 -1.21 0.00 0.00 61.69 58.94 1noi s THR 47 Cb -0.30 -2.45 0.44 0.00 -1.51 0.00 0.00 72.50 68.68 1noi s THR 47 CO 0.34 -0.32 1.57 -0.65 -2.21 0.00 0.00 174.62 173.35 1noi h PRO 48 N 2.21 0.00 -0.10 7.08 0.11 -2.00 0.23 132.00 139.53 1noi h PRO 48 Ca -0.41 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 1noi h PRO 48 Cb 1.24 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1noi h PRO 48 CO 0.66 0.00 0.03 -0.09 -0.21 0.00 0.00 178.00 178.39 1noi h ARG 49 N 0.00 0.14 -0.17 1.05 2.43 -1.96 -1.32 114.38 114.55 1noi h ARG 49 Ca 0.51 -0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 59.46 1noi h ARG 49 Cb 0.86 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1noi h ARG 49 CO -0.98 0.13 -0.71 -0.44 -1.51 0.00 0.00 179.97 176.46 1noi h ASP 50 N 0.14 0.85 -0.49 -3.80 3.32 -0.95 -1.36 116.42 114.12 1noi h ASP 50 Ca 0.04 -0.53 -0.11 0.00 0.02 0.00 0.00 57.03 56.45 1noi h ASP 50 Cb 0.06 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1noi h ASP 50 CO -0.00 1.31 -0.12 1.88 -1.72 0.00 0.00 179.24 180.59 1noi h TYR 51 N 0.51 1.07 0.08 4.55 0.05 -0.95 0.05 116.97 122.33 1noi h TYR 51 Ca -0.03 -0.23 0.01 0.00 0.05 0.00 0.00 58.73 58.53 1noi h TYR 51 Cb 1.32 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.78 1noi h TYR 51 CO 0.07 1.02 -0.11 -0.92 -1.05 0.00 0.00 178.16 177.18 1noi h TYR 52 N 0.81 -0.28 -0.48 4.88 3.20 -1.26 -0.09 116.97 123.76 1noi h TYR 52 Ca 0.13 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 1noi h TYR 52 Cb 0.67 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 1noi h TYR 52 CO 0.05 -0.17 0.29 0.74 -1.64 0.00 0.00 178.16 177.44 1noi h PHE 53 N -0.22 0.62 -0.55 -3.82 -1.00 -0.82 0.17 116.94 111.31 1noi h PHE 53 Ca 0.01 0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.73 1noi h PHE 53 Cb 0.23 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.56 1noi h PHE 53 CO -0.13 0.41 0.07 0.00 -1.61 0.00 0.00 178.31 177.06 1noi h ALA 54 N 1.66 0.74 -0.36 2.45 0.00 -0.53 -1.59 119.26 121.63 1noi h ALA 54 Ca 0.17 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 1noi h ALA 54 Cb -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1noi h ALA 54 CO -0.03 0.49 -0.39 1.25 0.00 0.00 0.00 179.25 180.56 1noi h LEU 55 N 0.81 0.95 -0.43 0.00 5.85 -0.06 -1.76 115.31 120.68 1noi h LEU 55 Ca 0.17 -0.44 0.04 0.00 0.84 0.00 0.00 57.88 58.49 1noi h LEU 55 Cb 0.43 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1noi h LEU 55 CO 0.01 1.22 0.18 0.00 -0.34 0.00 0.00 178.44 179.51 1noi h ALA 56 N 0.82 0.52 -0.07 1.25 0.00 -0.62 -0.08 119.26 121.08 1noi h ALA 56 Ca 0.06 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1noi h ALA 56 Cb 0.98 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1noi h ALA 56 CO 0.09 -0.20 -0.40 0.45 0.00 0.00 0.00 179.25 179.20 1noi h HIS 57 N 0.37 0.16 0.17 0.00 3.86 -1.13 -0.40 115.15 118.18 1noi h HIS 57 Ca 0.19 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 1noi h HIS 57 Cb 0.14 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.58 1noi h HIS 57 CO -0.13 0.52 -0.08 1.15 0.86 0.00 0.00 177.93 180.26 1noi h THR 58 N 0.12 0.94 -0.68 2.45 2.02 -0.29 -2.67 112.91 114.80 1noi h THR 58 Ca 0.01 -0.52 -0.06 0.00 0.77 0.00 0.00 66.41 66.61 1noi h THR 58 Cb 0.76 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 68.40 1noi h THR 58 CO 0.06 0.12 0.19 0.58 0.37 0.00 0.00 175.52 176.84 1noi h VAL 59 N -0.48 1.25 -0.22 3.16 2.07 -0.76 -2.34 116.25 118.94 1noi h VAL 59 Ca -0.02 -0.89 0.01 0.00 0.82 0.00 0.00 66.70 66.62 1noi h VAL 59 Cb 0.37 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1noi h VAL 59 CO 0.04 0.34 0.15 -0.09 0.02 0.00 0.00 177.57 178.03 1noi h ARG 60 N 1.01 0.24 -0.67 1.57 2.43 -1.06 -2.22 114.38 115.67 1noi h ARG 60 Ca 0.22 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 1noi h ARG 60 Cb 0.31 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 1noi h ARG 60 CO -0.00 0.16 0.44 -0.44 -1.51 0.00 0.00 179.97 178.62 1noi h ASP 61 N 0.25 0.72 -0.21 -3.80 3.32 -1.05 -0.75 116.42 114.89 1noi h ASP 61 Ca 0.08 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 1noi h ASP 61 Cb 0.04 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 1noi h ASP 61 CO -0.02 0.50 -0.32 0.45 -1.72 0.00 0.00 179.24 178.14 1noi h HIS 62 N 0.84 0.73 0.06 4.55 3.86 -1.51 -1.76 115.15 121.92 1noi h HIS 62 Ca 0.26 -0.25 0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1noi h HIS 62 Cb 0.01 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 1noi h HIS 62 CO -0.00 0.98 -0.08 -0.07 0.86 0.00 0.00 177.93 179.62 1noi h LEU 63 N 0.28 -0.21 -1.20 2.43 3.38 -1.22 -3.23 115.31 115.53 1noi h LEU 63 Ca 0.02 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1noi h LEU 63 Cb 0.90 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1noi h LEU 63 CO 0.07 -0.12 -0.16 -0.37 0.09 0.00 0.00 178.44 177.96 1noi h VAL 64 N -0.16 1.22 -0.41 1.22 -1.51 -1.13 0.68 116.25 116.17 1noi h VAL 64 Ca 0.01 -0.98 0.08 0.00 -1.23 0.00 0.00 66.70 64.59 1noi h VAL 64 Cb 0.17 1.23 -0.08 0.00 -2.13 0.00 0.00 31.29 30.48 1noi h VAL 64 CO -0.04 0.31 -0.09 1.23 -1.23 0.00 0.00 177.57 177.75 1noi h GLY 65 N 0.89 0.30 0.93 5.19 0.00 -1.35 -1.98 103.07 107.05 1noi h GLY 65 Ca 0.06 0.13 -0.09 0.00 0.00 0.00 0.00 47.33 47.42 1noi h GLY 65 CO 0.03 -0.15 -0.19 3.21 0.00 0.00 0.00 176.54 179.44 1noi h ARG 66 N 0.01 0.65 -0.26 4.80 3.08 -1.48 -2.77 114.38 118.40 1noi h ARG 66 Ca 0.20 -0.30 0.06 0.00 0.07 0.00 0.00 59.98 60.01 1noi h ARG 66 Cb 0.30 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.27 1noi h ARG 66 CO -0.41 0.89 -0.25 2.35 -1.07 0.00 0.00 179.97 181.49 1noi h TRP 67 N 0.39 -0.65 -0.27 3.04 7.01 -0.58 0.74 115.95 125.63 1noi h TRP 67 Ca 0.06 0.04 0.01 0.00 2.11 0.00 0.00 58.89 61.11 1noi h TRP 67 Cb 0.72 0.33 -0.02 0.00 -2.10 0.00 0.00 29.16 28.09 1noi h TRP 67 CO 0.06 -0.32 0.16 0.82 -2.79 0.00 0.00 178.44 176.37 1noi h ILE 68 N -0.24 1.03 -0.30 2.65 2.04 -1.35 -0.93 117.51 120.40 1noi h ILE 68 Ca 0.14 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 1noi h ILE 68 Cb 0.46 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1noi h ILE 68 CO -0.40 0.06 0.19 0.03 0.00 0.00 0.00 178.15 178.03 1noi h ARG 69 N 0.32 0.41 -0.26 2.37 3.08 -1.19 0.10 114.38 119.21 1noi h ARG 69 Ca 0.11 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.17 1noi h ARG 69 Cb -0.00 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 29.91 1noi h ARG 69 CO -0.05 0.30 -0.06 1.15 -1.07 0.00 0.00 179.97 180.24 1noi h THR 70 N 0.39 0.75 -0.25 2.04 2.02 -0.38 0.27 112.91 117.75 1noi h THR 70 Ca 0.11 -0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.17 1noi h THR 70 Cb -0.01 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1noi h THR 70 CO -0.02 0.00 -0.32 1.56 0.37 0.00 0.00 175.52 177.11 1noi h GLN 71 N 0.01 0.52 -0.34 6.66 1.08 -1.08 -0.36 115.11 121.59 1noi h GLN 71 Ca 0.12 -0.23 -0.10 0.00 -1.45 0.00 0.00 58.65 57.00 1noi h GLN 71 Cb 0.19 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 1noi h GLN 71 CO -0.26 0.78 -0.20 1.96 -0.95 0.00 0.00 178.83 180.16 1noi h GLN 72 N 0.45 0.65 -0.52 1.46 4.20 -0.28 -2.09 115.11 118.98 1noi h GLN 72 Ca 0.05 -0.24 0.04 0.00 0.06 0.00 0.00 58.65 58.57 1noi h GLN 72 Cb 0.77 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.47 1noi h GLN 72 CO 0.06 0.80 0.28 1.25 -0.67 0.00 0.00 178.83 180.55 1noi h HIS 73 N 0.58 0.51 0.00 2.96 2.76 0.57 -1.75 115.15 120.78 1noi h HIS 73 Ca 0.09 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.21 1noi h HIS 73 Cb 0.66 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 1noi h HIS 73 CO 0.03 0.26 -0.34 1.88 -1.30 0.00 0.00 177.93 178.47 1noi h TYR 74 N 0.54 0.00 -0.27 5.26 0.05 -0.88 -1.30 116.97 120.38 1noi h TYR 74 Ca 0.22 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.84 1noi h TYR 74 Cb 0.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.84 1noi h TYR 74 CO -0.09 0.34 -0.48 -0.92 -1.05 0.00 0.00 178.16 175.96 1noi h TYR 75 N 0.00 1.00 0.00 4.88 3.20 -0.66 -1.13 116.97 124.27 1noi h TYR 75 Ca -0.00 -0.35 -0.18 0.00 3.14 0.00 0.00 58.73 61.33 1noi h TYR 75 Cb 0.88 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.93 1noi h TYR 75 CO 0.00 1.16 -0.85 0.93 -1.64 0.00 0.00 178.16 177.76 1noi h GLU 76 N 0.56 0.00 0.00 1.82 3.07 -1.20 -3.32 114.58 115.51 1noi h GLU 76 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1noi h GLU 76 Cb 1.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.99 1noi h GLU 76 CO 0.11 0.85 -0.48 1.17 -1.40 0.00 0.00 179.01 179.26 1noi n LYS 77 N -3.38 0.27 -4.07 2.33 3.00 -0.50 -4.99 118.16 110.81 1noi n LYS 77 Ca 0.00 0.11 -0.27 0.00 -0.00 0.00 0.00 58.31 58.15 1noi n LYS 77 Cb 0.86 -1.70 -0.05 0.00 0.00 0.00 0.00 35.03 34.14 1noi n LYS 77 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1noi n ASP 78 N -2.11 0.06 -4.79 3.14 2.03 -0.43 -4.97 116.55 109.47 1noi n ASP 78 Ca 0.04 -1.09 -0.30 0.00 0.52 0.00 0.00 54.79 53.96 1noi n ASP 78 Cb 0.43 -2.59 0.10 0.00 -0.72 0.00 0.00 41.12 38.34 1noi n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1noi s PRO 79 N -6.82 1.94 0.20 -0.67 0.04 -1.26 -4.96 135.00 123.48 1noi s PRO 79 Ca 0.01 0.64 -0.32 0.00 0.04 0.00 0.00 61.00 61.37 1noi s PRO 79 Cb -0.01 -1.90 -0.14 0.00 0.04 0.00 0.00 34.50 32.50 1noi s PRO 79 CO 0.92 -1.72 1.50 1.17 0.04 0.00 0.00 177.00 178.91 1noi n LYS 80 N -3.50 2.13 -4.19 4.56 4.81 -1.26 -4.90 118.16 115.80 1noi n LYS 80 Ca 0.07 0.76 -0.35 0.00 -0.87 0.00 0.00 58.31 57.92 1noi n LYS 80 Cb 0.56 -2.48 -0.09 0.00 0.02 0.00 0.00 35.03 33.04 1noi n LYS 80 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1noi s ARG 81 N 0.22 3.46 -0.14 1.64 0.52 0.34 -4.53 118.95 120.46 1noi s ARG 81 Ca 0.73 -0.36 -0.03 0.00 -0.52 0.00 0.00 55.73 55.55 1noi s ARG 81 Cb -0.66 -3.00 -0.03 0.00 0.52 0.00 0.00 34.95 31.78 1noi s ARG 81 CO 0.44 0.52 -0.04 -1.50 0.02 0.00 0.00 175.30 174.74 1noi s ILE 82 N -0.35 3.88 -0.32 1.52 -1.16 -0.34 -1.12 121.20 123.32 1noi s ILE 82 Ca 0.08 -0.37 -0.01 0.00 -0.51 0.00 0.00 60.65 59.84 1noi s ILE 82 Cb -0.12 -2.68 0.06 0.00 0.61 0.00 0.00 42.46 40.33 1noi s ILE 82 CO 0.02 0.51 0.02 -0.31 -2.81 0.00 0.00 174.94 172.37 1noi s TYR 83 N 0.17 3.36 -0.43 3.50 2.02 -0.34 -0.48 117.35 125.14 1noi s TYR 83 Ca -0.02 -2.11 -0.16 0.00 -0.37 0.00 0.00 57.07 54.41 1noi s TYR 83 Cb -0.14 -2.34 0.03 0.00 -0.40 0.00 0.00 41.96 39.11 1noi s TYR 83 CO 0.03 -0.85 0.39 -0.47 -1.57 0.00 0.00 175.55 173.08 1noi s TYR 84 N 1.19 3.20 -0.21 2.71 5.04 -0.17 -0.95 117.35 128.16 1noi s TYR 84 Ca -0.02 -0.53 -0.07 0.00 -2.44 0.00 0.00 57.07 54.01 1noi s TYR 84 Cb -0.20 -2.86 -0.03 0.00 0.35 0.00 0.00 41.96 39.22 1noi s TYR 84 CO -0.03 -0.69 0.05 -0.51 -1.34 0.00 0.00 175.55 173.04 1noi s LEU 85 N 1.94 3.55 0.04 6.97 1.43 -0.72 -2.09 118.68 129.80 1noi s LEU 85 Ca 0.09 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 1noi s LEU 85 Cb -0.19 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 1noi s LEU 85 CO 0.11 0.07 -0.05 -0.55 0.23 0.00 0.00 176.35 176.16 1noi s SER 86 N 1.01 0.59 0.00 2.29 0.15 -1.06 -3.33 113.70 113.36 1noi s SER 86 Ca 0.04 -0.61 0.17 0.00 0.70 0.00 0.00 55.95 56.24 1noi s SER 86 Cb -0.14 0.08 0.48 0.00 -1.71 0.00 0.00 66.02 64.74 1noi s SER 86 CO 0.03 -0.30 1.40 -0.11 1.20 0.00 0.00 173.24 175.45 1noi n LEU 87 N 1.26 2.58 -3.71 3.45 7.94 -1.26 -4.20 117.00 123.05 1noi n LEU 87 Ca -0.22 -1.24 -0.12 0.00 -1.11 0.00 0.00 56.01 53.32 1noi n LEU 87 Cb 0.56 -0.29 -0.10 0.00 0.53 0.00 0.00 43.42 44.12 1noi n LEU 87 CO 0.22 0.62 0.10 -1.61 -1.11 0.00 0.00 177.39 175.61 1noi s GLU 88 N -1.42 0.48 -0.29 1.96 2.02 -1.26 -4.81 118.70 115.38 1noi s GLU 88 Ca 0.34 0.68 -0.00 0.00 0.02 0.00 0.00 54.97 56.01 1noi s GLU 88 Cb 0.18 0.16 0.09 0.00 0.10 0.00 0.00 34.13 34.65 1noi s GLU 88 CO 0.24 -0.09 0.06 -0.06 0.02 0.00 0.00 175.26 175.42 1noi s PHE 89 N 0.64 2.00 -1.02 1.61 0.08 0.11 -4.11 117.98 117.29 1noi s PHE 89 Ca -0.03 -1.79 -0.13 0.00 0.12 0.00 0.00 56.93 55.10 1noi s PHE 89 Cb -0.05 -1.76 0.22 0.00 -0.57 0.00 0.00 43.02 40.87 1noi s PHE 89 CO -0.04 -0.83 1.07 -0.47 -0.10 0.00 0.00 175.22 174.84 1noi s TYR 90 N 1.52 3.85 0.07 0.36 5.04 -0.01 -3.54 117.35 124.64 1noi s TYR 90 Ca 0.06 -2.22 0.02 0.00 -2.44 0.00 0.00 57.07 52.48 1noi s TYR 90 Cb -0.18 -3.97 -0.25 0.00 0.35 0.00 0.00 41.96 37.91 1noi s TYR 90 CO -0.18 -1.11 1.09 0.52 -1.34 0.00 0.00 175.55 174.54 1noi h MET 91 N 7.36 0.14 -6.26 4.97 2.86 -1.84 -3.39 114.93 118.77 1noi h MET 91 Ca 0.18 -0.23 -0.22 0.00 -2.06 0.00 0.00 59.70 57.37 1noi h MET 91 Cb 0.94 0.09 0.01 0.00 0.06 0.00 0.00 31.60 32.70 1noi h MET 91 CO 0.99 1.05 -1.06 0.41 1.06 0.00 0.00 176.91 179.36 1noi n GLY 92 N 1.49 -0.35 1.80 8.32 0.00 -1.26 -4.78 105.19 110.41 1noi n GLY 92 Ca -0.08 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.79 1noi n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1noi n ARG 93 N 0.24 -4.44 -0.00 1.61 1.74 -1.26 -4.77 116.66 109.77 1noi n ARG 93 Ca -0.03 3.26 0.06 0.00 -0.77 0.00 0.00 57.85 60.36 1noi n ARG 93 Cb 0.57 -3.47 -0.08 0.00 -1.02 0.00 0.00 32.46 28.45 1noi n ARG 93 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1noi n THR 94 N 1.52 0.00 0.21 0.55 -1.04 -1.26 -4.65 114.28 109.60 1noi n THR 94 Ca 0.00 -0.25 -0.13 0.00 -2.04 0.00 0.00 64.05 61.63 1noi n THR 94 Cb 0.00 0.59 -0.07 0.00 -1.82 0.00 0.00 70.33 69.03 1noi n THR 94 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1noi h LEU 95 N 0.00 -0.47 -0.65 -4.42 6.46 -1.96 -1.60 115.31 112.66 1noi h LEU 95 Ca 0.00 -0.11 -0.11 0.00 -0.12 0.00 0.00 57.88 57.53 1noi h LEU 95 Cb 0.40 0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.44 1noi h LEU 95 CO 0.00 -0.08 -0.18 -0.61 -0.62 0.00 0.00 178.44 176.95 1noi h GLN 96 N -0.95 0.86 -0.38 1.25 4.15 -1.98 -2.22 115.11 115.85 1noi h GLN 96 Ca -0.06 -0.33 0.05 0.00 0.77 0.00 0.00 58.65 59.08 1noi h GLN 96 Cb 0.56 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.16 1noi h GLN 96 CO 0.09 0.97 0.11 -0.97 -1.93 0.00 0.00 178.83 177.11 1noi h ASN 97 N 0.75 0.10 0.20 -0.69 -0.73 -1.81 -2.01 115.58 111.39 1noi h ASN 97 Ca 0.11 0.05 -0.01 0.00 1.87 0.00 0.00 56.30 58.32 1noi h ASN 97 Cb 0.71 0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.35 1noi h ASN 97 CO 0.05 0.09 -0.10 0.74 -0.37 0.00 0.00 177.43 177.85 1noi h THR 98 N 0.26 0.84 0.15 -3.57 2.02 -0.96 -0.72 112.91 110.93 1noi h THR 98 Ca 0.18 -0.19 0.02 0.00 0.77 0.00 0.00 66.41 67.19 1noi h THR 98 Cb 0.17 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 1noi h THR 98 CO -0.20 0.04 -0.38 0.24 0.37 0.00 0.00 175.52 175.60 1noi h MET 99 N -0.36 -0.61 -0.14 6.66 2.86 -1.28 0.12 114.93 122.18 1noi h MET 99 Ca -0.03 0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.53 1noi h MET 99 Cb 0.28 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1noi h MET 99 CO 0.04 -0.41 -0.44 -0.39 1.06 0.00 0.00 176.91 176.78 1noi h VAL 100 N -0.63 1.32 0.00 -2.22 -1.51 -1.40 0.62 116.25 112.43 1noi h VAL 100 Ca 0.02 -1.61 0.00 0.00 -1.23 0.00 0.00 66.70 63.88 1noi h VAL 100 Cb 0.65 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 1noi h VAL 100 CO -0.20 0.49 0.00 0.78 -1.23 0.00 0.00 177.57 177.41 1noi h ASN 101 N 0.28 0.00 -0.01 4.19 4.21 -0.43 -1.83 115.58 121.98 1noi h ASN 101 Ca 0.02 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.53 1noi h ASN 101 Cb 0.89 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.09 1noi h ASN 101 CO 0.07 0.00 -0.14 0.18 -1.29 0.00 0.00 177.43 176.26 1noi n LEU 102 N -3.03 1.90 -1.26 1.61 4.32 0.37 -0.34 117.00 120.56 1noi n LEU 102 Ca 0.00 -0.89 -0.13 0.00 -0.02 0.00 0.00 56.01 54.97 1noi n LEU 102 Cb 0.27 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.04 1noi n LEU 102 CO 0.26 0.35 -0.15 0.00 -1.22 0.00 0.00 177.39 176.63 1noi n ALA 103 N 0.38 -0.30 1.36 -1.18 0.00 0.20 -4.90 120.51 116.07 1noi n ALA 103 Ca 0.07 0.16 0.13 0.00 0.00 0.00 0.00 53.44 53.81 1noi n ALA 103 Cb 0.34 -1.54 0.42 0.00 0.00 0.00 0.00 19.45 18.68 1noi n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1noi n LEU 104 N -1.71 1.49 0.19 0.00 4.32 0.00 -4.63 117.00 116.66 1noi n LEU 104 Ca -0.15 -0.47 -0.15 0.00 -0.02 0.00 0.00 56.01 55.23 1noi n LEU 104 Cb 0.53 -0.04 -0.08 0.00 -1.62 0.00 0.00 43.42 42.21 1noi n LEU 104 CO 0.19 0.26 0.67 -0.08 -1.22 0.00 0.00 177.39 177.21 1noi h GLU 105 N 2.17 -0.44 -0.51 3.23 4.81 -1.91 -0.39 114.58 121.55 1noi h GLU 105 Ca 0.00 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.32 1noi h GLU 105 Cb 0.55 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.98 1noi h GLU 105 CO 0.00 -0.21 0.20 -0.91 -0.73 0.00 0.00 179.01 177.36 1noi h ASN 106 N -0.59 0.24 -0.52 1.04 2.35 -1.94 0.12 115.58 116.27 1noi h ASN 106 Ca -0.05 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1noi h ASN 106 Cb 0.43 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.80 1noi h ASN 106 CO 0.08 0.16 0.34 0.00 -1.65 0.00 0.00 177.43 176.36 1noi h ALA 107 N 1.32 0.66 -0.15 -0.83 0.00 -1.81 0.72 119.26 119.18 1noi h ALA 107 Ca 0.24 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1noi h ALA 107 Cb 0.23 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1noi h ALA 107 CO -0.22 0.11 -0.44 0.00 0.00 0.00 0.00 179.25 178.70 1noi h ASP 109 N 0.29 0.41 -0.12 0.00 3.58 0.41 -0.92 116.42 120.07 1noi h ASP 109 Ca 0.02 -0.09 -0.17 0.00 0.42 0.00 0.00 57.03 57.21 1noi h ASP 109 Cb 0.90 -0.11 0.01 0.00 1.72 0.00 0.00 39.33 41.85 1noi h ASP 109 CO 0.07 0.38 -0.59 -0.08 -2.88 0.00 0.00 179.24 176.15 1noi h GLU 110 N 0.41 0.62 -0.68 0.28 4.57 -0.29 -2.59 114.58 116.90 1noi h GLU 110 Ca 0.12 -0.50 0.03 0.00 -1.18 0.00 0.00 59.36 57.83 1noi h GLU 110 Cb 0.06 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 1noi h GLU 110 CO -0.02 1.12 0.42 0.00 -1.18 0.00 0.00 179.01 179.35 1noi h ALA 111 N 0.50 0.89 0.00 2.92 0.00 -1.01 -0.74 119.26 121.83 1noi h ALA 111 Ca -0.04 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 1noi h ALA 111 Cb 1.23 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1noi h ALA 111 CO 0.12 0.18 -0.94 1.79 0.00 0.00 0.00 179.25 180.40 1noi h THR 112 N 0.82 1.41 -0.08 0.00 1.35 -1.18 -2.15 112.91 113.07 1noi h THR 112 Ca 0.28 -2.47 0.03 0.00 -0.55 0.00 0.00 66.41 63.69 1noi h THR 112 Cb 0.03 2.43 -0.03 0.00 -1.73 0.00 0.00 68.15 68.85 1noi h THR 112 CO -0.11 0.74 -0.11 0.22 -0.25 0.00 0.00 175.52 176.00 1noi h TYR 113 N 0.22 -0.29 0.00 4.73 3.20 -1.32 0.27 116.97 123.78 1noi h TYR 113 Ca -0.08 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1noi h TYR 113 Cb 1.58 0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.99 1noi h TYR 113 CO 0.06 -0.17 0.00 1.04 -1.64 0.00 0.00 178.16 177.44 1noi n GLN 114 N -5.25 0.00 -0.31 1.82 6.02 -0.29 -0.65 117.38 118.72 1noi n GLN 114 Ca -0.04 0.36 0.08 0.00 -0.01 0.00 0.00 57.00 57.39 1noi n GLN 114 Cb 0.17 -1.51 0.23 0.00 1.02 0.00 0.00 30.24 30.16 1noi n GLN 114 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1noi n LEU 115 N -1.51 3.51 -0.16 1.08 4.77 -0.36 -4.97 117.00 119.37 1noi n LEU 115 Ca 0.02 -2.19 -0.02 0.00 -0.03 0.00 0.00 56.01 53.79 1noi n LEU 115 Cb 0.10 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.81 1noi n LEU 115 CO 0.08 0.79 -0.02 0.61 -1.33 0.00 0.00 177.39 177.52 1noi n GLY 116 N 0.70 0.55 3.92 -0.72 0.00 0.18 -5.04 105.19 104.78 1noi n GLY 116 Ca 0.17 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 1noi n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1noi s LEU 117 N -0.47 4.15 -0.26 0.99 1.43 0.80 -4.97 118.68 120.37 1noi s LEU 117 Ca 0.00 -0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.05 1noi s LEU 117 Cb 0.00 -2.70 0.01 0.00 0.03 0.00 0.00 46.19 43.53 1noi s LEU 117 CO 0.00 -0.03 -0.02 -0.62 0.23 0.00 0.00 176.35 175.91 1noi s ASP 118 N -3.77 4.53 0.28 2.29 2.15 -1.26 -3.16 116.67 117.73 1noi s ASP 118 Ca 0.34 -0.74 0.02 0.00 0.43 0.00 0.00 52.55 52.60 1noi s ASP 118 Cb -0.09 -1.74 0.40 0.00 -0.30 0.00 0.00 42.92 41.19 1noi s ASP 118 CO 0.27 -0.12 1.73 -0.03 -0.17 0.00 0.00 175.17 176.85 1noi h MET 119 N 8.09 0.54 -0.66 4.34 1.85 -1.92 -1.97 114.93 125.20 1noi h MET 119 Ca -0.34 -0.19 0.07 0.00 -0.61 0.00 0.00 59.70 58.63 1noi h MET 119 Cb 1.12 -0.04 -0.06 0.00 0.43 0.00 0.00 31.60 33.05 1noi h MET 119 CO 0.59 0.71 0.34 0.93 -0.40 0.00 0.00 176.91 179.08 1noi h GLU 120 N 0.48 0.60 0.00 0.39 5.08 -1.99 -0.06 114.58 119.08 1noi h GLU 120 Ca 0.08 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 1noi h GLU 120 Cb 0.63 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1noi h GLU 120 CO 0.04 0.40 -0.39 1.49 -1.00 0.00 0.00 179.01 179.55 1noi h GLU 121 N 0.62 0.00 -0.05 2.33 4.22 -1.80 -2.37 114.58 117.53 1noi h GLU 121 Ca 0.30 0.00 -0.19 0.00 0.08 0.00 0.00 59.36 59.56 1noi h GLU 121 Cb 0.24 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.51 1noi h GLU 121 CO -0.21 0.39 -0.69 -0.07 -2.18 0.00 0.00 179.01 176.25 1noi h LEU 122 N 0.00 0.70 -0.39 1.64 3.38 -0.91 -3.05 115.31 116.68 1noi h LEU 122 Ca -0.00 -0.70 0.08 0.00 0.09 0.00 0.00 57.88 57.34 1noi h LEU 122 Cb 0.74 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.19 1noi h LEU 122 CO 0.05 1.30 -0.24 -0.33 0.09 0.00 0.00 178.44 179.31 1noi h GLU 123 N 0.16 -0.17 0.00 1.13 5.08 -0.95 0.78 114.58 120.61 1noi h GLU 123 Ca -0.07 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1noi h GLU 123 Cb 1.36 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1noi h GLU 123 CO 0.14 -0.11 0.04 0.39 -1.00 0.00 0.00 179.01 178.46 1noi n GLU 124 N -5.39 0.03 0.01 2.33 -0.58 -0.90 -1.90 120.64 114.24 1noi n GLU 124 Ca 0.02 0.51 -0.13 0.00 -0.42 0.00 0.00 57.16 57.13 1noi n GLU 124 Cb 0.31 -1.64 -0.02 0.00 -0.57 0.00 0.00 31.44 29.52 1noi n GLU 124 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1noi h ILE 125 N 0.00 1.32 -2.25 -3.67 1.08 -0.82 -3.46 117.51 109.72 1noi h ILE 125 Ca 0.00 -2.02 -0.60 0.00 -0.39 0.00 0.00 64.86 61.86 1noi h ILE 125 Cb 0.07 2.00 0.06 0.00 -3.07 0.00 0.00 36.82 35.88 1noi h ILE 125 CO 0.00 0.63 0.73 1.21 -0.69 0.00 0.00 178.15 180.02 1noi n GLU 126 N -3.90 2.00 -2.62 2.37 2.13 -0.80 -4.99 120.64 114.83 1noi n GLU 126 Ca -0.06 0.72 -0.37 0.00 0.66 0.00 0.00 57.16 58.11 1noi n GLU 126 Cb 0.71 -2.46 -0.05 0.00 0.27 0.00 0.00 31.44 29.92 1noi n GLU 126 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1noi s GLU 127 N 0.68 4.40 0.35 5.31 0.41 -1.26 -4.96 118.70 123.63 1noi s GLU 127 Ca 0.78 1.49 -0.27 0.00 -0.41 0.00 0.00 54.97 56.56 1noi s GLU 127 Cb -0.71 -2.74 -0.09 0.00 -1.78 0.00 0.00 34.13 28.80 1noi s GLU 127 CO 0.41 0.07 1.19 -0.51 -0.49 0.00 0.00 175.26 175.92 1noi s ASP 128 N -1.47 6.78 -0.09 -0.19 1.11 -1.26 -4.13 116.67 117.42 1noi s ASP 128 Ca 0.53 2.42 -0.30 0.00 0.18 0.00 0.00 52.55 55.38 1noi s ASP 128 Cb -0.22 -2.63 -0.04 0.00 1.07 0.00 0.00 42.92 41.10 1noi s ASP 128 CO 0.28 -0.50 1.38 0.00 1.18 0.00 0.00 175.17 177.51 1noi s ALA 129 N -1.28 3.62 -1.36 5.23 0.00 -1.26 -4.83 121.76 121.87 1noi s ALA 129 Ca 0.52 0.69 -0.15 0.00 0.00 0.00 0.00 51.96 53.01 1noi s ALA 129 Cb -0.33 -3.63 0.02 0.00 0.00 0.00 0.00 23.12 19.17 1noi s ALA 129 CO 0.43 -1.12 2.16 0.41 0.00 0.00 0.00 175.76 177.64 1noi n GLY 130 N 3.72 4.05 0.00 0.00 0.00 -1.26 -4.42 105.19 107.28 1noi n GLY 130 Ca 0.14 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1noi n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1noi n LEU 131 N 6.48 0.52 0.00 0.99 4.32 -1.26 -3.31 117.00 124.75 1noi n LEU 131 Ca 0.51 -0.52 -0.02 0.00 -0.02 0.00 0.00 56.01 55.96 1noi n LEU 131 Cb 0.40 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.20 1noi n LEU 131 CO 0.91 0.13 0.14 0.61 -1.22 0.00 0.00 177.39 177.96 1noi n GLY 132 N -0.02 1.71 1.02 -0.72 0.00 -1.23 -0.71 105.19 105.24 1noi n GLY 132 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1noi n GLY 132 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1noi n ASN 133 N -1.13 0.00 0.00 1.61 5.15 -1.26 -4.71 115.26 114.92 1noi n ASN 133 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1noi n ASN 133 Cb 0.16 0.17 0.00 0.00 -0.53 0.00 0.00 39.78 39.58 1noi n ASN 133 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1noi n GLY 134 N -0.53 5.39 0.29 8.20 0.00 -1.26 -4.99 105.19 112.29 1noi n GLY 134 Ca 0.00 -1.28 0.18 0.00 0.00 0.00 0.00 46.02 44.93 1noi n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1noi h GLY 135 N 0.00 0.00 1.60 -0.02 0.00 -2.02 -2.22 103.07 100.41 1noi h GLY 135 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1noi h GLY 135 CO 0.00 0.00 -0.31 -2.00 0.00 0.00 0.00 176.54 174.23 1noi h LEU 136 N 0.00 0.47 0.19 3.11 6.46 -1.95 -1.96 115.31 121.63 1noi h LEU 136 Ca -0.00 -0.18 -0.34 0.00 -0.12 0.00 0.00 57.88 57.24 1noi h LEU 136 Cb 0.34 -0.13 0.01 0.00 -0.73 0.00 0.00 40.66 40.16 1noi h LEU 136 CO 0.00 0.77 -1.68 1.23 -0.62 0.00 0.00 178.44 178.13 1noi h GLY 137 N 1.06 0.45 1.00 3.75 0.00 -1.61 -2.96 103.07 104.76 1noi h GLY 137 Ca 0.05 -1.16 -0.00 0.00 0.00 0.00 0.00 47.33 46.22 1noi h GLY 137 CO 0.06 1.02 0.41 -0.09 0.00 0.00 0.00 176.54 177.93 1noi h ARG 138 N 0.11 0.93 0.06 4.80 1.12 -1.45 0.31 114.38 120.26 1noi h ARG 138 Ca -0.32 -0.09 0.00 0.00 -1.11 0.00 0.00 59.98 58.47 1noi h ARG 138 Cb 2.10 -0.19 -0.00 0.00 -0.01 0.00 0.00 29.97 31.86 1noi h ARG 138 CO 0.19 0.66 -0.05 1.25 -3.11 0.00 0.00 179.97 178.91 1noi h LEU 139 N 0.93 -0.14 -0.93 3.80 5.85 -1.44 0.25 115.31 123.63 1noi h LEU 139 Ca 0.24 0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.02 1noi h LEU 139 Cb -0.02 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 1noi h LEU 139 CO -0.05 -0.09 0.60 0.00 -0.34 0.00 0.00 178.44 178.57 1noi h ALA 140 N 0.81 1.23 -0.57 1.25 0.00 -1.44 0.11 119.26 120.65 1noi h ALA 140 Ca 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1noi h ALA 140 Cb 0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1noi h ALA 140 CO -0.01 0.45 -0.00 0.00 0.00 0.00 0.00 179.25 179.69 1noi h ALA 141 N 1.39 0.77 -0.36 0.00 0.00 -0.54 -1.62 119.26 118.91 1noi h ALA 141 Ca 0.38 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1noi h ALA 141 Cb 0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1noi h ALA 141 CO -0.13 0.61 0.17 0.00 0.00 0.00 0.00 179.25 179.90 1noi h PHE 143 N 0.43 0.60 -0.59 0.00 -1.00 -0.57 -2.28 116.94 113.53 1noi h PHE 143 Ca 0.12 -0.05 -0.05 0.00 2.81 0.00 0.00 57.97 60.80 1noi h PHE 143 Cb 0.13 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.49 1noi h PHE 143 CO -0.01 0.54 0.17 -0.07 -1.61 0.00 0.00 178.31 177.33 1noi h LEU 144 N 0.57 0.87 -0.44 1.54 3.38 -1.06 0.11 115.31 120.28 1noi h LEU 144 Ca 0.13 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1noi h LEU 144 Cb 0.27 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1noi h LEU 144 CO 0.00 0.85 -0.03 -0.78 0.09 0.00 0.00 178.44 178.57 1noi h ASP 145 N 0.83 0.79 0.45 -0.43 1.82 -1.26 -2.79 116.42 115.83 1noi h ASP 145 Ca 0.19 -0.33 -0.15 0.00 -0.39 0.00 0.00 57.03 56.36 1noi h ASP 145 Cb 0.31 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.09 1noi h ASP 145 CO -0.00 0.93 -0.63 0.28 -1.61 0.00 0.00 179.24 178.20 1noi h SER 146 N 0.64 0.20 -0.16 2.28 0.02 -1.35 -1.15 113.55 114.03 1noi h SER 146 Ca 0.12 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1noi h SER 146 Cb 0.54 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 1noi h SER 146 CO 0.03 0.78 -0.11 0.24 -1.14 0.00 0.00 176.83 176.63 1noi h MET 147 N 0.13 0.51 0.05 3.45 2.86 -0.69 -1.89 114.93 119.35 1noi h MET 147 Ca -0.01 -0.14 -0.10 0.00 -2.06 0.00 0.00 59.70 57.39 1noi h MET 147 Cb 1.14 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.75 1noi h MET 147 CO 0.09 0.62 -0.43 0.00 1.06 0.00 0.00 176.91 178.25 1noi h ALA 148 N 1.41 -0.02 -0.11 6.32 0.00 -1.50 -0.11 119.26 125.25 1noi h ALA 148 Ca 0.09 -0.57 0.03 0.00 0.00 0.00 0.00 54.91 54.46 1noi h ALA 148 Cb 0.48 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1noi h ALA 148 CO 0.03 0.20 0.19 1.15 0.00 0.00 0.00 179.25 180.81 1noi h THR 149 N -0.54 0.29 -0.39 0.00 2.02 -1.15 -1.27 112.91 111.87 1noi h THR 149 Ca -0.07 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 1noi h THR 149 Cb 1.27 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 1noi h THR 149 CO 0.08 0.00 0.02 0.18 0.37 0.00 0.00 175.52 176.18 1noi n LEU 150 N -3.49 4.58 -1.88 2.58 4.77 -0.72 -4.74 117.00 118.11 1noi n LEU 150 Ca 0.00 -3.07 -0.19 0.00 -0.03 0.00 0.00 56.01 52.72 1noi n LEU 150 Cb 0.29 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 40.74 1noi n LEU 150 CO 0.23 0.71 -0.22 0.61 -1.33 0.00 0.00 177.39 177.40 1noi n GLY 151 N -0.25 0.38 3.86 -0.72 0.00 -0.48 -1.21 105.19 106.78 1noi n GLY 151 Ca 0.26 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1noi n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1noi s LEU 152 N -4.97 3.72 -1.39 0.99 1.43 -0.09 -4.81 118.68 113.57 1noi s LEU 152 Ca 0.00 1.29 -0.12 0.00 -1.03 0.00 0.00 54.13 54.27 1noi s LEU 152 Cb 0.00 -4.20 0.09 0.00 0.03 0.00 0.00 46.19 42.11 1noi s LEU 152 CO 0.00 -0.49 2.08 0.00 0.23 0.00 0.00 176.35 178.17 1noi n ALA 153 N -1.50 5.46 -2.81 4.21 0.00 -1.26 -4.67 120.51 119.94 1noi n ALA 153 Ca 0.04 -4.06 -0.31 0.00 0.00 0.00 0.00 53.44 49.11 1noi n ALA 153 Cb 0.54 -3.31 -0.06 0.00 0.00 0.00 0.00 19.45 16.62 1noi n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1noi s ALA 154 N 2.05 3.66 0.00 0.00 0.00 -1.26 -1.20 121.76 125.02 1noi s ALA 154 Ca 0.44 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.48 1noi s ALA 154 Cb 0.12 -1.56 -0.00 0.00 0.00 0.00 0.00 23.12 21.67 1noi s ALA 154 CO -0.05 0.75 -0.02 0.71 0.00 0.00 0.00 175.76 177.14 1noi s TYR 155 N -1.35 0.20 -0.26 0.00 1.51 0.36 -4.07 117.35 113.75 1noi s TYR 155 Ca 0.28 -0.08 -0.09 0.00 -1.01 0.00 0.00 57.07 56.17 1noi s TYR 155 Cb -0.12 -0.13 -0.04 0.00 -0.11 0.00 0.00 41.96 41.56 1noi s TYR 155 CO 0.21 -0.02 0.13 0.20 -1.11 0.00 0.00 175.55 174.96 1noi s GLY 156 N -0.18 1.86 -0.10 0.71 0.00 -0.96 -1.00 107.32 107.66 1noi s GLY 156 Ca -0.01 -1.09 0.02 0.00 0.00 0.00 0.00 44.72 43.65 1noi s GLY 156 CO -0.00 0.57 -0.15 -0.19 0.00 0.00 0.00 173.10 173.33 1noi s TYR 157 N 1.62 2.74 0.00 1.90 2.02 -0.89 -0.55 117.35 124.19 1noi s TYR 157 Ca 0.07 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.27 1noi s TYR 157 Cb -0.15 -1.75 0.00 0.00 -0.40 0.00 0.00 41.96 39.66 1noi s TYR 157 CO 0.07 -0.08 0.00 0.41 -1.57 0.00 0.00 175.55 174.38 1noi n GLY 158 N 3.07 2.02 3.49 0.71 0.00 -1.07 -2.56 105.19 110.85 1noi n GLY 158 Ca -0.18 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 1noi n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1noi s ILE 159 N -2.78 2.88 -0.61 -0.61 1.01 -1.26 -1.48 121.20 118.35 1noi s ILE 159 Ca 0.00 -1.40 -0.12 0.00 0.00 0.00 0.00 60.65 59.12 1noi s ILE 159 Cb 0.00 -2.30 0.15 0.00 0.01 0.00 0.00 42.46 40.33 1noi s ILE 159 CO 0.00 0.16 0.52 -0.60 0.00 0.00 0.00 174.94 175.02 1noi s ARG 160 N -1.97 2.97 -0.21 2.79 3.52 0.83 -4.72 118.95 122.16 1noi s ARG 160 Ca 0.17 -2.01 -0.29 0.00 -0.13 0.00 0.00 55.73 53.48 1noi s ARG 160 Cb -0.11 -4.18 -0.01 0.00 -1.56 0.00 0.00 34.95 29.09 1noi s ARG 160 CO 0.09 -1.27 1.36 0.71 -0.81 0.00 0.00 175.30 175.39 1noi s TYR 161 N 0.99 2.61 0.26 5.12 2.02 -1.25 -4.72 117.35 122.38 1noi s TYR 161 Ca 0.09 0.82 -0.03 0.00 -0.37 0.00 0.00 57.07 57.58 1noi s TYR 161 Cb -0.23 -3.74 0.33 0.00 -0.40 0.00 0.00 41.96 37.92 1noi s TYR 161 CO -0.02 -2.08 1.82 0.93 -1.57 0.00 0.00 175.55 174.63 1noi h GLU 162 N 9.06 0.95 0.00 -0.62 5.08 -0.72 -3.35 114.58 124.98 1noi h GLU 162 Ca -0.28 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1noi h GLU 162 Cb 1.11 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 1noi h GLU 162 CO 0.99 0.81 -0.09 1.19 -1.00 0.00 0.00 179.01 180.92 1noi n PHE 163 N -4.28 0.00 -1.61 4.33 3.72 -0.43 -4.35 117.46 114.84 1noi n PHE 163 Ca 0.05 -0.84 0.00 0.00 -0.05 0.00 0.00 57.45 56.61 1noi n PHE 163 Cb 0.21 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 1noi n PHE 163 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1noi n GLY 164 N -1.20 3.09 2.91 1.37 0.00 -1.21 -3.10 105.19 107.06 1noi n GLY 164 Ca 0.13 -0.25 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 1noi n GLY 164 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1noi s ILE 165 N 0.00 0.80 0.00 -0.61 -1.16 -1.26 -0.39 121.20 118.58 1noi s ILE 165 Ca 0.00 -0.23 0.00 0.00 -0.51 0.00 0.00 60.65 59.91 1noi s ILE 165 Cb 0.00 -0.81 0.00 0.00 0.61 0.00 0.00 42.46 42.26 1noi s ILE 165 CO 0.00 0.30 0.00 2.22 -2.81 0.00 0.00 174.94 174.65 1noi n PHE 166 N 4.38 0.00 -4.32 3.50 -1.74 -1.26 -4.77 117.46 113.25 1noi n PHE 166 Ca -0.18 0.00 -0.35 0.00 -0.56 0.00 0.00 57.45 56.36 1noi n PHE 166 Cb 0.51 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.41 1noi n PHE 166 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 1noi s ASN 167 N 0.00 5.26 -0.11 5.98 0.02 -0.18 -4.86 114.94 121.04 1noi s ASN 167 Ca 0.00 0.11 -0.17 0.00 -1.02 0.00 0.00 52.86 51.78 1noi s ASN 167 Cb 0.00 -1.59 -0.04 0.00 0.02 0.00 0.00 41.25 39.64 1noi s ASN 167 CO 0.00 0.33 0.44 -1.58 0.02 0.00 0.00 177.10 176.31 1noi s GLN 168 N -0.59 4.28 -0.04 -0.60 0.74 -1.26 -0.90 119.66 121.29 1noi s GLN 168 Ca 0.10 0.39 0.06 0.00 0.05 0.00 0.00 55.36 55.96 1noi s GLN 168 Cb -0.12 -3.41 -0.02 0.00 1.10 0.00 0.00 33.01 30.57 1noi s GLN 168 CO 0.02 0.24 -0.23 0.21 -0.55 0.00 0.00 175.29 174.98 1noi s LYS 169 N 0.37 2.32 -0.33 1.67 2.20 0.30 -4.30 119.74 121.96 1noi s LYS 169 Ca 0.24 -0.87 -0.18 0.00 -0.36 0.00 0.00 55.97 54.80 1noi s LYS 169 Cb -0.15 -2.15 -0.01 0.00 -1.51 0.00 0.00 37.83 34.01 1noi s LYS 169 CO 0.10 0.53 0.53 0.42 -0.36 0.00 0.00 175.35 176.56 1noi s ILE 170 N -0.52 5.01 -0.23 5.43 -1.09 -1.26 0.39 121.20 128.94 1noi s ILE 170 Ca 0.07 0.50 -0.01 0.00 -2.23 0.00 0.00 60.65 58.97 1noi s ILE 170 Cb -0.11 -3.95 0.02 0.00 -1.58 0.00 0.00 42.46 36.84 1noi s ILE 170 CO 0.00 -0.16 -0.09 0.00 -1.23 0.00 0.00 174.94 173.46 1noi n GLY 172 N 4.67 -0.49 1.47 0.00 0.00 -1.26 -1.34 105.19 108.24 1noi n GLY 172 Ca -0.18 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1noi n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1noi n GLY 173 N -1.46 1.16 3.64 -0.02 0.00 -1.26 -5.06 105.19 102.18 1noi n GLY 173 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 1noi n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1noi s TRP 174 N -2.71 2.77 0.19 1.61 0.52 -0.45 -3.94 118.94 116.93 1noi s TRP 174 Ca 0.00 -0.17 -0.30 0.00 0.02 0.00 0.00 56.10 55.65 1noi s TRP 174 Cb 0.00 -1.33 -0.09 0.00 -1.15 0.00 0.00 33.47 30.91 1noi s TRP 174 CO 0.00 0.53 1.31 -1.14 0.02 0.00 0.00 176.95 177.67 1noi s GLN 175 N -3.04 4.39 -0.05 4.98 0.74 -1.26 -0.89 119.66 124.53 1noi s GLN 175 Ca 0.27 2.04 0.05 0.00 0.05 0.00 0.00 55.36 57.77 1noi s GLN 175 Cb -0.09 -3.20 -0.01 0.00 1.10 0.00 0.00 33.01 30.82 1noi s GLN 175 CO 0.18 -0.25 -0.21 -1.64 -0.55 0.00 0.00 175.29 172.82 1noi s MET 176 N -0.04 2.22 -0.42 1.67 -1.94 0.16 -4.89 119.30 116.06 1noi s MET 176 Ca 0.57 -0.75 -0.05 0.00 -1.71 0.00 0.00 55.69 53.75 1noi s MET 176 Cb -0.36 -1.87 0.11 0.00 2.01 0.00 0.00 34.83 34.71 1noi s MET 176 CO 0.38 0.29 0.23 -1.83 -0.01 0.00 0.00 175.02 174.08 1noi s GLU 177 N 0.00 2.19 0.67 2.03 1.03 -1.26 -0.54 118.70 122.83 1noi s GLU 177 Ca -0.05 -1.74 -0.11 0.00 0.03 0.00 0.00 54.97 53.09 1noi s GLU 177 Cb -0.13 -3.66 -0.01 0.00 -0.80 0.00 0.00 34.13 29.53 1noi s GLU 177 CO 0.03 -1.06 1.05 -1.21 -1.33 0.00 0.00 175.26 172.74 1noi s GLU 178 N 1.23 3.10 0.27 -4.83 2.02 -0.07 -4.85 118.70 115.56 1noi s GLU 178 Ca 0.06 0.94 -0.29 0.00 0.02 0.00 0.00 54.97 55.71 1noi s GLU 178 Cb -0.23 -2.01 -0.09 0.00 0.10 0.00 0.00 34.13 31.89 1noi s GLU 178 CO -0.03 -0.97 0.96 0.00 0.02 0.00 0.00 175.26 175.24 1noi s ALA 179 N -3.01 3.30 -0.87 5.21 0.00 -1.26 -1.01 121.76 124.11 1noi s ALA 179 Ca 0.58 0.63 -0.11 0.00 0.00 0.00 0.00 51.96 53.05 1noi s ALA 179 Cb -0.14 -3.22 0.23 0.00 0.00 0.00 0.00 23.12 19.99 1noi s ALA 179 CO 0.53 0.14 0.81 0.34 0.00 0.00 0.00 175.76 177.58 1noi s ASP 180 N -1.28 6.70 -0.69 0.00 2.15 -1.18 -4.66 116.67 117.71 1noi s ASP 180 Ca 0.45 -2.94 -0.08 0.00 0.43 0.00 0.00 52.55 50.41 1noi s ASP 180 Cb -0.25 -2.16 0.18 0.00 -0.30 0.00 0.00 42.92 40.39 1noi s ASP 180 CO 0.31 -0.48 0.56 1.51 -0.17 0.00 0.00 175.17 176.90 1noi s ASP 181 N 1.75 5.87 0.45 -0.34 -4.77 -1.26 -3.88 116.67 114.49 1noi s ASP 181 Ca 0.21 -2.72 0.14 0.00 -3.30 0.00 0.00 52.55 46.89 1noi s ASP 181 Cb -0.11 -2.01 1.02 0.00 -1.09 0.00 0.00 42.92 40.73 1noi s ASP 181 CO -0.08 -0.47 2.00 4.11 0.70 0.00 0.00 175.17 181.42 1noi h TRP 182 N 7.44 0.00 -0.05 2.11 5.08 -1.92 -2.42 115.95 126.19 1noi h TRP 182 Ca 0.01 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.98 1noi h TRP 182 Cb 1.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.16 1noi h TRP 182 CO 0.83 0.17 0.00 1.28 -1.28 0.00 0.00 178.44 179.44 1noi n LEU 183 N -4.34 0.34 -0.29 0.11 4.77 -1.26 -4.45 117.00 111.88 1noi n LEU 183 Ca -0.02 -0.16 0.11 0.00 -0.03 0.00 0.00 56.01 55.91 1noi n LEU 183 Cb 0.24 -0.03 0.27 0.00 -2.33 0.00 0.00 43.42 41.56 1noi n LEU 183 CO 0.36 0.08 0.98 -0.09 -1.33 0.00 0.00 177.39 177.40 1noi h ARG 184 N 0.41 0.30 -0.52 3.23 2.43 -1.80 -1.99 114.38 116.44 1noi h ARG 184 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1noi h ARG 184 Cb 0.09 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1noi h ARG 184 CO 0.00 0.20 0.00 0.66 -1.51 0.00 0.00 179.97 179.32 1noi n TYR 185 N -5.13 0.68 0.00 2.20 4.01 -1.26 -5.08 117.16 112.58 1noi n TYR 185 Ca 0.20 -0.37 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1noi n TYR 185 Cb 0.61 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 1noi n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1noi n GLY 186 N 1.45 0.80 2.76 2.72 0.00 -0.75 -4.97 105.19 107.20 1noi n GLY 186 Ca 0.20 -2.10 -0.27 0.00 0.00 0.00 0.00 46.02 43.85 1noi n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1noi s ASN 187 N 0.00 2.78 0.00 1.61 2.47 -1.26 -4.75 114.94 115.79 1noi s ASN 187 Ca 0.00 -0.74 0.11 0.00 0.42 0.00 0.00 52.86 52.65 1noi s ASN 187 Cb 0.00 -0.62 0.52 0.00 -1.45 0.00 0.00 41.25 39.71 1noi s ASN 187 CO 0.00 -0.28 1.24 -0.81 -3.72 0.00 0.00 177.10 173.53 1noi n PRO 188 N 5.04 0.13 -0.01 0.43 -0.04 -1.26 -3.48 135.00 135.81 1noi n PRO 188 Ca -0.09 0.20 0.09 0.00 -0.04 0.00 0.00 63.50 63.66 1noi n PRO 188 Cb 0.47 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.27 1noi n PRO 188 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1noi n TRP 189 N -1.31 0.04 -2.88 0.54 7.02 -1.26 -4.81 117.44 114.78 1noi n TRP 189 Ca 0.05 0.01 -0.22 0.00 -1.02 0.00 0.00 57.50 56.32 1noi n TRP 189 Cb 0.09 -0.56 0.02 0.00 -2.42 0.00 0.00 31.31 28.43 1noi n TRP 189 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 1noi s GLU 190 N -3.42 2.85 -0.09 -0.99 -1.05 -1.23 -4.25 118.70 110.52 1noi s GLU 190 Ca -0.08 -0.68 -0.02 0.00 -0.15 0.00 0.00 54.97 54.04 1noi s GLU 190 Cb 0.13 -2.56 0.04 0.00 -0.44 0.00 0.00 34.13 31.30 1noi s GLU 190 CO 0.90 -0.43 0.04 0.21 0.95 0.00 0.00 175.26 176.93 1noi s LYS 191 N -4.60 0.30 0.17 -4.83 2.36 0.34 -4.94 119.74 108.54 1noi s LYS 191 Ca 0.52 0.11 -0.30 0.00 -2.55 0.00 0.00 55.97 53.75 1noi s LYS 191 Cb -0.10 -1.08 -0.08 0.00 -1.05 0.00 0.00 37.83 35.52 1noi s LYS 191 CO 0.37 -0.41 1.21 0.00 1.55 0.00 0.00 175.35 178.07 1noi s ALA 192 N 2.05 3.44 -0.62 3.13 0.00 -1.26 -0.40 121.76 128.10 1noi s ALA 192 Ca 0.04 0.95 0.06 0.00 0.00 0.00 0.00 51.96 53.01 1noi s ALA 192 Cb -0.13 -3.42 0.29 0.00 0.00 0.00 0.00 23.12 19.85 1noi s ALA 192 CO -0.05 -0.39 0.83 0.54 0.00 0.00 0.00 175.76 176.69 1noi n ARG 193 N 2.65 2.83 -0.38 0.00 5.12 0.71 -4.93 116.66 122.66 1noi n ARG 193 Ca 0.05 -4.75 0.29 0.00 -1.93 0.00 0.00 57.85 51.51 1noi n ARG 193 Cb 0.45 -2.25 0.56 0.00 -1.16 0.00 0.00 32.46 30.05 1noi n ARG 193 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1noi h PRO 194 N 3.71 0.23 -0.42 5.56 0.11 -1.95 -0.67 132.00 138.56 1noi h PRO 194 Ca 0.17 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.39 1noi h PRO 194 Cb 0.60 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.64 1noi h PRO 194 CO 0.83 0.15 0.43 0.93 -0.21 0.00 0.00 178.00 180.13 1noi h GLU 195 N 0.23 0.00 -0.44 1.05 3.07 -1.96 -2.59 114.58 113.93 1noi h GLU 195 Ca 0.73 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 59.31 1noi h GLU 195 Cb 2.02 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 29.75 1noi h GLU 195 CO -0.44 0.00 -0.26 1.19 -1.40 0.00 0.00 179.01 178.09 1noi n PHE 196 N -3.80 1.49 -2.11 4.33 3.72 -0.26 -5.01 117.46 115.82 1noi n PHE 196 Ca 0.08 -1.87 -0.41 0.00 -0.05 0.00 0.00 57.45 55.20 1noi n PHE 196 Cb 0.61 -0.50 -0.02 0.00 -0.94 0.00 0.00 39.48 38.63 1noi n PHE 196 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1noi s THR 197 N -3.72 2.72 0.02 4.37 2.01 -0.98 -4.55 115.64 115.50 1noi s THR 197 Ca 0.47 0.72 0.05 0.00 0.31 0.00 0.00 61.69 63.23 1noi s THR 197 Cb 0.41 -3.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.45 1noi s THR 197 CO -0.01 0.17 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.19 1noi s LEU 198 N -1.71 2.10 -0.16 4.42 1.43 0.03 -4.92 118.68 119.87 1noi s LEU 198 Ca 0.49 -0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 52.94 1noi s LEU 198 Cb -0.40 -0.65 -0.00 0.00 0.03 0.00 0.00 46.19 45.16 1noi s LEU 198 CO 0.52 0.10 1.06 -2.16 0.23 0.00 0.00 176.35 176.11 1noi s PRO 199 N -0.75 4.33 -0.14 1.29 0.04 -1.26 -0.23 135.00 138.29 1noi s PRO 199 Ca 0.03 1.43 -0.05 0.00 0.04 0.00 0.00 61.00 62.45 1noi s PRO 199 Cb -0.07 -3.61 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 1noi s PRO 199 CO 0.00 -0.50 0.04 0.08 0.04 0.00 0.00 177.00 176.66 1noi s VAL 200 N 2.68 4.63 0.14 -0.36 1.01 0.67 -4.96 120.40 124.22 1noi s VAL 200 Ca 0.48 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.38 1noi s VAL 200 Cb -0.18 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1noi s VAL 200 CO 0.13 0.54 0.20 -1.00 0.00 0.00 0.00 175.10 174.96 1noi s HIS 201 N -0.27 3.33 0.04 5.22 3.76 -1.26 -1.27 115.29 124.83 1noi s HIS 201 Ca 0.07 0.07 -0.08 0.00 -0.15 0.00 0.00 55.06 54.98 1noi s HIS 201 Cb -0.12 -1.61 -0.00 0.00 1.11 0.00 0.00 32.58 31.96 1noi s HIS 201 CO 0.02 0.53 0.15 -0.06 -0.85 0.00 0.00 174.74 174.52 1noi s PHE 202 N -1.68 0.11 0.00 1.40 0.08 -0.06 -4.96 117.98 112.87 1noi s PHE 202 Ca 0.33 -0.35 0.00 0.00 0.12 0.00 0.00 56.93 57.03 1noi s PHE 202 Cb -0.11 -0.07 0.00 0.00 -0.57 0.00 0.00 43.02 42.27 1noi s PHE 202 CO 0.26 -0.39 0.00 0.66 -0.10 0.00 0.00 175.22 175.64 1noi n TYR 203 N 0.78 0.00 -4.13 0.36 4.01 0.00 0.13 117.16 118.32 1noi n TYR 203 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 1noi n TYR 203 Cb 0.58 0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.62 1noi n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1noi n GLY 204 N 0.00 -1.14 3.47 2.72 0.00 -1.20 -4.52 105.19 104.52 1noi n GLY 204 Ca 0.00 -1.24 -0.10 0.00 0.00 0.00 0.00 46.02 44.68 1noi n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1noi s ARG 205 N 0.00 1.31 -0.05 1.61 1.70 0.52 -4.87 118.95 119.17 1noi s ARG 205 Ca 0.00 -0.79 0.03 0.00 -0.47 0.00 0.00 55.73 54.49 1noi s ARG 205 Cb 0.00 0.52 -0.03 0.00 -0.57 0.00 0.00 34.95 34.87 1noi s ARG 205 CO 0.00 -0.55 -0.11 0.08 -1.08 0.00 0.00 175.30 173.64 1noi s VAL 206 N -3.85 3.32 -0.05 4.99 1.01 -1.26 0.11 120.40 124.67 1noi s VAL 206 Ca 0.07 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1noi s VAL 206 Cb -0.00 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 34.06 1noi s VAL 206 CO -0.06 0.58 -0.10 -0.70 0.00 0.00 0.00 175.10 174.83 1noi s GLU 207 N -0.79 1.39 -0.18 2.72 2.12 0.14 -4.96 118.70 119.14 1noi s GLU 207 Ca 0.12 -0.34 -0.08 0.00 0.36 0.00 0.00 54.97 55.03 1noi s GLU 207 Cb -0.11 -1.20 -0.04 0.00 0.26 0.00 0.00 34.13 33.03 1noi s GLU 207 CO 0.01 0.03 0.09 -1.01 -0.54 0.00 0.00 175.26 173.84 1noi s HIS 208 N 0.59 3.32 0.00 5.30 3.76 -1.26 -0.30 115.29 126.70 1noi s HIS 208 Ca -0.11 0.18 0.00 0.00 -0.15 0.00 0.00 55.06 54.97 1noi s HIS 208 Cb -0.14 -2.10 0.00 0.00 1.11 0.00 0.00 32.58 31.45 1noi s HIS 208 CO 0.02 0.23 0.00 0.25 -0.85 0.00 0.00 174.74 174.39 1noi n THR 209 N 3.45 0.00 -0.00 1.30 -2.24 -0.11 -4.96 114.28 111.72 1noi n THR 209 Ca -0.17 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1noi n THR 209 Cb 0.52 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1noi n THR 209 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1noi h SER 210 N 0.00 -0.01 -0.05 3.42 4.64 -2.00 -3.40 113.55 116.16 1noi h SER 210 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 1noi h SER 210 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1noi h SER 210 CO 0.00 0.04 -0.43 -0.61 -0.87 0.00 0.00 176.83 174.96 1noi h GLN 211 N -0.10 0.37 0.00 4.77 5.75 -2.02 -3.50 115.11 120.39 1noi h GLN 211 Ca -0.00 -0.34 0.00 0.00 -0.15 0.00 0.00 58.65 58.16 1noi h GLN 211 Cb 0.01 0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.64 1noi h GLN 211 CO 0.00 1.00 0.00 0.41 -2.65 0.00 0.00 178.83 177.59 1noi n GLY 212 N 0.86 -0.72 3.75 2.39 0.00 -1.26 -5.15 105.19 105.06 1noi n GLY 212 Ca -0.09 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 1noi n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1noi s ALA 213 N -1.00 3.61 -0.12 4.61 0.00 -1.26 -0.93 121.76 126.67 1noi s ALA 213 Ca 0.00 1.36 0.03 0.00 0.00 0.00 0.00 51.96 53.35 1noi s ALA 213 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1noi s ALA 213 CO 0.00 -0.77 -0.22 0.15 0.00 0.00 0.00 175.76 174.91 1noi s LYS 214 N -0.81 3.07 -0.48 0.00 -0.14 0.59 -4.95 119.74 117.02 1noi s LYS 214 Ca 0.57 -0.85 -0.13 0.00 -1.36 0.00 0.00 55.97 54.19 1noi s LYS 214 Cb -0.42 -2.38 0.10 0.00 -1.68 0.00 0.00 37.83 33.45 1noi s LYS 214 CO 0.47 0.11 0.39 -0.46 -0.76 0.00 0.00 175.35 175.11 1noi s TRP 215 N 0.51 3.30 0.31 3.18 -0.00 -1.26 -0.68 118.94 124.30 1noi s TRP 215 Ca -0.14 -1.32 0.07 0.00 -0.00 0.00 0.00 56.10 54.70 1noi s TRP 215 Cb -0.17 -3.38 -0.02 0.00 -0.00 0.00 0.00 33.47 29.90 1noi s TRP 215 CO 0.05 -0.91 0.38 0.14 -0.00 0.00 0.00 176.95 176.61 1noi s VAL 216 N 1.54 4.18 -0.99 5.86 -7.23 0.12 -4.75 120.40 119.13 1noi s VAL 216 Ca 0.04 -1.12 -0.16 0.00 -1.81 0.00 0.00 61.98 58.93 1noi s VAL 216 Cb -0.26 -3.43 0.02 0.00 0.56 0.00 0.00 36.38 33.27 1noi s VAL 216 CO 0.03 -0.21 0.62 0.47 -0.31 0.00 0.00 175.10 175.71 1noi n ASP 217 N -1.49 -4.37 -4.96 4.85 8.00 -1.26 -0.35 116.55 116.96 1noi n ASP 217 Ca -0.03 -1.12 -0.22 0.00 0.71 0.00 0.00 54.79 54.14 1noi n ASP 217 Cb 0.58 -1.55 -0.02 0.00 -0.02 0.00 0.00 41.12 40.11 1noi n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1noi s THR 218 N -3.24 5.27 0.37 -3.53 -4.23 -1.26 -3.24 115.64 105.78 1noi s THR 218 Ca 0.22 -0.92 -0.13 0.00 -1.18 0.00 0.00 61.69 59.68 1noi s THR 218 Cb -0.12 -3.84 -0.08 0.00 1.34 0.00 0.00 72.50 69.80 1noi s THR 218 CO 0.92 -0.29 0.76 -1.58 -0.54 0.00 0.00 174.62 173.89 1noi s GLN 219 N -3.84 3.90 0.03 3.99 0.74 0.12 -4.85 119.66 119.74 1noi s GLN 219 Ca 0.34 0.59 0.08 0.00 0.05 0.00 0.00 55.36 56.43 1noi s GLN 219 Cb -0.09 -2.40 -0.03 0.00 1.10 0.00 0.00 33.01 31.59 1noi s GLN 219 CO 0.29 0.05 -0.23 0.08 -0.55 0.00 0.00 175.29 174.93 1noi s VAL 220 N -2.19 2.39 0.04 1.34 1.01 -1.26 -0.88 120.40 120.85 1noi s VAL 220 Ca 0.53 -1.24 0.03 0.00 0.00 0.00 0.00 61.98 61.30 1noi s VAL 220 Cb -0.10 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 1noi s VAL 220 CO 0.24 0.40 -0.11 -0.69 0.00 0.00 0.00 175.10 174.95 1noi s VAL 221 N -0.81 0.80 0.05 2.92 1.01 -0.40 -4.65 120.40 119.32 1noi s VAL 221 Ca 0.12 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1noi s VAL 221 Cb -0.10 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1noi s VAL 221 CO 0.02 -0.18 0.09 -0.76 0.00 0.00 0.00 175.10 174.28 1noi s LEU 222 N -1.30 3.90 -0.19 3.92 1.43 -0.38 -0.24 118.68 125.83 1noi s LEU 222 Ca -0.04 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 1noi s LEU 222 Cb -0.08 -2.46 0.03 0.00 0.03 0.00 0.00 46.19 43.70 1noi s LEU 222 CO 0.01 0.21 -0.17 0.00 0.23 0.00 0.00 176.35 176.63 1noi s ALA 223 N -1.33 2.27 -0.19 4.21 0.00 0.68 -0.93 121.76 126.47 1noi s ALA 223 Ca 0.28 -1.24 -0.05 0.00 0.00 0.00 0.00 51.96 50.94 1noi s ALA 223 Cb -0.12 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 1noi s ALA 223 CO 0.20 -0.50 -0.01 1.41 0.00 0.00 0.00 175.76 176.86 1noi s MET 224 N 1.30 3.63 0.24 0.00 1.75 -0.27 -0.79 119.30 125.16 1noi s MET 224 Ca 0.03 -0.52 -0.19 0.00 -1.25 0.00 0.00 55.69 53.76 1noi s MET 224 Cb -0.14 -3.05 -0.08 0.00 2.84 0.00 0.00 34.83 34.39 1noi s MET 224 CO -0.11 0.06 0.72 -1.25 -0.65 0.00 0.00 175.02 173.78 1noi s PRO 225 N 0.87 4.19 -0.13 4.11 0.04 -1.26 -0.84 135.00 141.98 1noi s PRO 225 Ca 0.01 0.81 0.01 0.00 0.04 0.00 0.00 61.00 61.87 1noi s PRO 225 Cb -0.14 -2.80 0.02 0.00 0.04 0.00 0.00 34.50 31.61 1noi s PRO 225 CO 0.02 0.36 -0.17 0.71 0.04 0.00 0.00 177.00 177.96 1noi s TYR 226 N -1.60 2.22 -0.18 0.56 1.51 -0.48 -0.20 117.35 119.19 1noi s TYR 226 Ca 0.45 -1.14 -0.17 0.00 -1.01 0.00 0.00 57.07 55.19 1noi s TYR 226 Cb -0.15 -1.59 -0.04 0.00 -0.11 0.00 0.00 41.96 40.07 1noi s TYR 226 CO 0.20 -0.58 0.45 -0.51 -1.11 0.00 0.00 175.55 174.00 1noi s ASP 227 N 1.11 6.53 -0.11 2.29 1.01 0.47 -2.03 116.67 125.94 1noi s ASP 227 Ca -0.03 0.63 0.03 0.00 0.71 0.00 0.00 52.55 53.90 1noi s ASP 227 Cb -0.14 -2.26 0.00 0.00 1.01 0.00 0.00 42.92 41.53 1noi s ASP 227 CO -0.05 -0.08 -0.23 -0.89 0.21 0.00 0.00 175.17 174.13 1noi s THR 228 N 1.18 2.05 0.20 -1.27 2.01 -0.27 -0.51 115.64 119.03 1noi s THR 228 Ca 0.22 -1.00 -0.30 0.00 0.31 0.00 0.00 61.69 60.92 1noi s THR 228 Cb -0.15 -1.78 -0.08 0.00 0.01 0.00 0.00 72.50 70.50 1noi s THR 228 CO 0.09 0.55 1.14 -2.84 -0.69 0.00 0.00 174.62 172.87 1noi s PRO 229 N 0.50 4.56 -0.16 4.92 0.02 -1.26 -0.50 135.00 143.08 1noi s PRO 229 Ca -0.15 1.80 0.00 0.00 0.02 0.00 0.00 61.00 62.68 1noi s PRO 229 Cb -0.17 -3.24 0.02 0.00 0.02 0.00 0.00 34.50 31.13 1noi s PRO 229 CO 0.05 0.03 -0.15 0.14 -0.33 0.00 0.00 177.00 176.75 1noi s VAL 230 N -0.34 1.65 0.13 3.83 -7.23 0.10 -4.89 120.40 113.63 1noi s VAL 230 Ca 0.50 -0.70 -0.26 0.00 -1.81 0.00 0.00 61.98 59.71 1noi s VAL 230 Cb -0.31 -1.55 -0.07 0.00 0.56 0.00 0.00 36.38 35.01 1noi s VAL 230 CO 0.37 0.45 0.81 -2.16 -0.31 0.00 0.00 175.10 174.27 1noi s PRO 231 N 1.45 4.59 0.69 4.82 0.04 -1.26 -0.37 135.00 144.96 1noi s PRO 231 Ca 0.05 1.20 -0.11 0.00 0.04 0.00 0.00 61.00 62.18 1noi s PRO 231 Cb -0.13 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1noi s PRO 231 CO -0.11 0.42 1.06 0.20 0.04 0.00 0.00 177.00 178.61 1noi s GLY 232 N -0.63 1.66 -0.35 0.56 0.00 -0.20 -4.72 107.32 103.64 1noi s GLY 232 Ca 0.39 -0.01 -0.29 0.00 0.00 0.00 0.00 44.72 44.80 1noi s GLY 232 CO 0.26 0.30 1.42 -0.47 0.00 0.00 0.00 173.10 174.61 1noi s TYR 233 N -3.11 2.43 -0.50 1.90 5.04 -1.26 -4.23 117.35 117.62 1noi s TYR 233 Ca 0.57 0.72 0.00 0.00 -2.44 0.00 0.00 57.07 55.92 1noi s TYR 233 Cb -0.13 -4.14 0.00 0.00 0.35 0.00 0.00 41.96 38.04 1noi s TYR 233 CO 0.54 -2.05 0.00 0.54 -1.34 0.00 0.00 175.55 173.25 1noi n ARG 234 N 7.81 -1.72 -0.24 4.97 3.00 0.54 -4.78 116.66 126.24 1noi n ARG 234 Ca 0.17 0.46 0.10 0.00 -0.01 0.00 0.00 57.85 58.56 1noi n ARG 234 Cb 0.47 -4.34 0.23 0.00 0.00 0.00 0.00 32.46 28.82 1noi n ARG 234 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1noi n ASN 235 N 0.26 3.39 -1.46 0.55 2.04 -1.26 -4.93 115.26 113.85 1noi n ASN 235 Ca -0.05 -1.96 -0.19 0.00 -0.44 0.00 0.00 54.58 51.95 1noi n ASN 235 Cb 0.33 -0.31 -0.08 0.00 -2.53 0.00 0.00 39.78 37.19 1noi n ASN 235 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1noi n ASN 236 N 1.22 -5.56 -4.84 0.53 3.02 -1.26 0.78 115.26 109.15 1noi n ASN 236 Ca 0.18 0.47 -0.37 0.00 -0.03 0.00 0.00 54.58 54.84 1noi n ASN 236 Cb 0.54 -4.75 -0.06 0.00 -0.61 0.00 0.00 39.78 34.90 1noi n ASN 236 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1noi s VAL 237 N -2.61 5.39 -0.15 2.41 -7.23 -1.26 -4.74 120.40 112.20 1noi s VAL 237 Ca 0.00 0.35 -0.01 0.00 -1.81 0.00 0.00 61.98 60.51 1noi s VAL 237 Cb 0.00 -3.48 0.04 0.00 0.56 0.00 0.00 36.38 33.49 1noi s VAL 237 CO 0.00 0.57 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.62 1noi s VAL 238 N -0.70 0.98 0.60 1.32 1.01 -1.26 -1.03 120.40 121.33 1noi s VAL 238 Ca 0.16 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1noi s VAL 238 Cb -0.13 -1.16 0.12 0.00 0.00 0.00 0.00 36.38 35.21 1noi s VAL 238 CO 0.05 0.15 0.83 0.59 0.00 0.00 0.00 175.10 176.72 1noi n ASN 239 N 4.92 1.39 -4.63 3.32 3.02 0.50 -4.59 115.26 119.19 1noi n ASN 239 Ca -0.11 -2.11 -0.34 0.00 -0.03 0.00 0.00 54.58 51.99 1noi n ASN 239 Cb 0.48 -0.51 -0.10 0.00 -0.61 0.00 0.00 39.78 39.04 1noi n ASN 239 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1noi s THR 240 N -2.54 3.98 -0.22 3.41 2.01 -1.26 -0.73 115.64 120.30 1noi s THR 240 Ca 0.57 -0.40 -0.07 0.00 0.31 0.00 0.00 61.69 62.11 1noi s THR 240 Cb -0.04 -2.66 -0.03 0.00 0.01 0.00 0.00 72.50 69.79 1noi s THR 240 CO 0.37 0.58 0.04 -0.32 -0.69 0.00 0.00 174.62 174.61 1noi s MET 241 N -0.90 3.70 -0.21 4.92 1.75 0.35 -2.26 119.30 126.64 1noi s MET 241 Ca 0.13 -0.47 -0.02 0.00 -1.25 0.00 0.00 55.69 54.09 1noi s MET 241 Cb -0.11 -3.22 0.01 0.00 2.84 0.00 0.00 34.83 34.35 1noi s MET 241 CO 0.02 -0.03 -0.10 0.50 -0.65 0.00 0.00 175.02 174.76 1noi s ARG 242 N 1.16 3.10 -0.14 4.11 6.06 0.29 -1.12 118.95 132.42 1noi s ARG 242 Ca 0.04 -0.79 -0.01 0.00 -2.50 0.00 0.00 55.73 52.47 1noi s ARG 242 Cb -0.14 -2.84 -0.02 0.00 0.06 0.00 0.00 34.95 32.00 1noi s ARG 242 CO 0.03 -0.25 -0.09 -0.51 -2.50 0.00 0.00 175.30 171.97 1noi s LEU 243 N 1.37 2.92 0.04 -0.88 1.02 -0.86 -2.59 118.68 119.71 1noi s LEU 243 Ca 0.04 -0.25 -0.18 0.00 0.02 0.00 0.00 54.13 53.77 1noi s LEU 243 Cb -0.14 -1.68 -0.06 0.00 0.02 0.00 0.00 46.19 44.33 1noi s LEU 243 CO -0.07 0.17 0.51 0.26 0.02 0.00 0.00 176.35 177.24 1noi s TRP 244 N 0.32 3.77 0.08 0.29 0.52 -0.55 -1.38 118.94 122.00 1noi s TRP 244 Ca -0.08 1.17 0.07 0.00 0.02 0.00 0.00 56.10 57.27 1noi s TRP 244 Cb -0.15 -2.43 -0.04 0.00 -1.15 0.00 0.00 33.47 29.70 1noi s TRP 244 CO 0.05 0.59 -0.11 0.45 0.02 0.00 0.00 176.95 177.95 1noi s SER 245 N -1.04 4.30 -0.10 2.95 0.15 -0.02 -0.12 113.70 119.83 1noi s SER 245 Ca 0.27 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.55 1noi s SER 245 Cb -0.18 -0.81 -0.02 0.00 -1.71 0.00 0.00 66.02 63.29 1noi s SER 245 CO 0.17 0.20 -0.11 0.00 1.20 0.00 0.00 173.24 174.70 1noi s ALA 246 N -1.14 2.77 -0.01 5.45 0.00 -1.26 -1.11 121.76 126.46 1noi s ALA 246 Ca 0.20 -0.90 -0.03 0.00 0.00 0.00 0.00 51.96 51.22 1noi s ALA 246 Cb -0.11 -1.20 -0.00 0.00 0.00 0.00 0.00 23.12 21.81 1noi s ALA 246 CO 0.11 0.40 0.07 -1.59 0.00 0.00 0.00 175.76 174.75 1noi s LYS 247 N -0.19 0.25 0.20 0.00 -2.85 -0.10 -4.67 119.74 112.38 1noi s LYS 247 Ca 0.01 -0.19 -0.30 0.00 -1.00 0.00 0.00 55.97 54.50 1noi s LYS 247 Cb -0.13 0.10 -0.08 0.00 -2.06 0.00 0.00 37.83 35.66 1noi s LYS 247 CO 0.03 -0.05 1.15 0.00 0.10 0.00 0.00 175.35 176.58 1noi s ALA 248 N -0.68 3.41 -0.68 0.59 0.00 -1.26 -1.24 121.76 121.89 1noi s ALA 248 Ca -0.08 0.89 -0.32 0.00 0.00 0.00 0.00 51.96 52.46 1noi s ALA 248 Cb -0.05 -3.38 -0.15 0.00 0.00 0.00 0.00 23.12 19.54 1noi s ALA 248 CO 0.00 -0.28 2.47 -2.30 0.00 0.00 0.00 175.76 175.65 1noi n PRO 249 N 2.24 0.52 -1.48 0.00 -0.02 -1.26 -4.75 135.00 130.25 1noi n PRO 249 Ca 0.03 0.06 -0.35 0.00 -2.02 0.00 0.00 63.50 61.21 1noi n PRO 249 Cb 0.45 -2.25 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 1noi n PRO 249 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1noi n ASN 250 N 11.66 8.04 0.00 2.55 4.13 -1.26 -2.90 115.26 137.49 1noi n ASN 250 Ca 0.52 -2.76 0.00 0.00 1.68 0.00 0.00 54.58 54.02 1noi n ASN 250 Cb 0.21 -1.47 0.00 0.00 -1.54 0.00 0.00 39.78 36.98 1noi n ASN 250 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1noi n ASP 251 N 2.78 0.00 -4.67 6.41 8.00 -1.26 -5.03 116.55 122.77 1noi n ASP 251 Ca 0.69 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.76 1noi n ASP 251 Cb 0.33 0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.44 1noi n ASP 251 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1noi s PHE 252 N -1.39 2.58 0.00 1.24 -0.71 -1.14 -4.09 117.98 114.48 1noi s PHE 252 Ca 0.00 0.66 0.00 0.00 -1.04 0.00 0.00 56.93 56.55 1noi s PHE 252 Cb 0.00 -3.71 0.00 0.00 -1.21 0.00 0.00 43.02 38.10 1noi s PHE 252 CO 0.00 -2.75 0.00 0.27 -1.34 0.00 0.00 175.22 171.40 1noi n ASN 253 N 6.13 0.00 0.00 1.98 0.23 -1.26 -4.88 115.26 117.47 1noi n ASN 253 Ca 0.15 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.20 1noi n ASN 253 Cb 0.43 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.13 1noi n ASN 253 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1noi n LEU 254 N -0.33 0.00 -1.14 -4.53 7.94 -1.26 -4.81 117.00 112.86 1noi n LEU 254 Ca 0.00 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.74 1noi n LEU 254 Cb 0.00 0.19 -0.03 0.00 0.53 0.00 0.00 43.42 44.10 1noi n LEU 254 CO 0.00 -0.19 0.47 1.17 -1.11 0.00 0.00 177.39 177.74 1noi n LYS 255 N -1.88 0.00 0.00 1.96 4.81 -1.26 0.56 118.16 122.35 1noi n LYS 255 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1noi n LYS 255 Cb 0.00 -0.40 0.00 0.00 0.02 0.00 0.00 35.03 34.65 1noi n LYS 255 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1noi n ASP 256 N 2.06 0.00 0.00 3.14 2.03 -1.26 -4.41 116.55 118.11 1noi n ASP 256 Ca 0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.46 1noi n ASP 256 Cb -0.01 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 1noi n ASP 256 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1noi n PHE 257 N 0.00 0.00 0.12 -0.67 -0.00 0.19 -5.05 117.46 112.05 1noi n PHE 257 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.56 1noi n PHE 257 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 39.48 39.51 1noi n PHE 257 CO 0.00 0.00 0.00 -2.95 -0.00 0.00 0.00 176.76 173.81 1noi h ASN 258 N 0.00 0.00 -4.47 -2.13 7.08 -1.34 -3.47 115.58 111.26 1noi h ASN 258 Ca 0.00 0.00 -0.12 0.00 -3.08 0.00 0.00 56.30 53.10 1noi h ASN 258 Cb 0.00 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.25 1noi h ASN 258 CO 0.00 0.03 -0.01 1.33 -2.08 0.00 0.00 177.43 176.70 1noi n VAL 259 N -2.78 0.00 0.00 6.14 0.24 -1.26 -4.24 118.33 116.43 1noi n VAL 259 Ca 0.00 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 1noi n VAL 259 Cb 0.56 -0.96 0.00 0.00 -1.47 0.00 0.00 33.84 31.97 1noi n VAL 259 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1noi n GLY 260 N 3.15 2.07 0.31 7.63 0.00 -1.26 -4.31 105.19 112.78 1noi n GLY 260 Ca 0.04 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.91 1noi n GLY 260 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1noi h GLY 261 N 0.00 1.39 0.00 -0.02 0.00 -1.90 -3.39 103.07 99.16 1noi h GLY 261 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1noi h GLY 261 CO 0.00 -0.35 0.00 -1.72 0.00 0.00 0.00 176.54 174.47 1noi n TYR 262 N -5.19 0.00 0.00 5.60 4.02 -1.26 -5.04 117.16 115.29 1noi n TYR 262 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.10 1noi n TYR 262 Cb 0.68 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.00 1noi n TYR 262 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 176.86 177.36 1noi n ILE 263 N 0.00 1.39 0.00 -0.72 3.06 -1.26 -3.62 119.36 118.21 1noi n ILE 263 Ca 0.00 0.38 0.00 0.00 -2.50 0.00 0.00 62.75 60.63 1noi n ILE 263 Cb 0.00 -1.38 0.00 0.00 0.54 0.00 0.00 39.64 38.80 1noi n ILE 263 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1noi n GLN 264 N -1.34 0.00 0.00 9.51 -0.00 -1.26 -0.72 117.38 123.58 1noi n GLN 264 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.00 57.07 1noi n GLN 264 Cb 0.04 -1.15 0.35 0.00 -0.00 0.00 0.00 30.24 29.47 1noi n GLN 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1noi n ALA 265 N -0.60 1.81 0.23 2.61 0.00 -1.24 -1.77 120.51 121.55 1noi n ALA 265 Ca 0.00 -0.07 0.18 0.00 0.00 0.00 0.00 53.44 53.55 1noi n ALA 265 Cb 0.00 -1.22 0.87 0.00 0.00 0.00 0.00 19.45 19.11 1noi n ALA 265 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1noi h VAL 266 N 0.00 0.33 0.19 0.00 2.07 -1.27 -1.96 116.25 115.61 1noi h VAL 266 Ca 0.00 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.19 1noi h VAL 266 Cb 0.10 0.82 0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1noi h VAL 266 CO 0.00 0.00 -1.63 -0.07 0.02 0.00 0.00 177.57 175.89 1noi h LEU 267 N 0.00 0.62 -0.15 2.57 3.38 -1.60 -2.83 115.31 117.29 1noi h LEU 267 Ca 0.07 -0.93 0.05 0.00 0.09 0.00 0.00 57.88 57.16 1noi h LEU 267 Cb 0.50 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 1noi h LEU 267 CO -0.00 1.74 -0.37 -0.78 0.09 0.00 0.00 178.44 179.12 1noi h ASP 268 N 0.03 -1.15 -0.12 -0.43 1.82 -1.51 0.79 116.42 115.84 1noi h ASP 268 Ca -0.32 0.16 0.02 0.00 -0.39 0.00 0.00 57.03 56.51 1noi h ASP 268 Cb 2.04 0.48 -0.05 0.00 0.68 0.00 0.00 39.33 42.49 1noi h ASP 268 CO 0.17 -0.39 -0.37 0.03 -1.61 0.00 0.00 179.24 177.08 1noi h ARG 269 N -0.43 -0.36 -0.72 0.28 3.08 -1.63 0.13 114.38 114.74 1noi h ARG 269 Ca 0.09 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1noi h ARG 269 Cb 0.58 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 1noi h ARG 269 CO -0.39 -0.24 0.40 -0.97 -1.07 0.00 0.00 179.97 177.70 1noi h ASN 270 N -0.37 0.88 1.63 7.04 -0.73 -1.33 -0.07 115.58 122.63 1noi h ASN 270 Ca 0.03 -0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.13 1noi h ASN 270 Cb 0.45 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 38.82 1noi h ASN 270 CO -0.31 0.70 -0.18 -0.07 -0.37 0.00 0.00 177.43 177.20 1noi h LEU 271 N 1.00 0.00 0.00 0.34 3.38 -0.51 -2.47 115.31 117.05 1noi h LEU 271 Ca 0.25 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1noi h LEU 271 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1noi h LEU 271 CO -0.04 0.01 -0.03 0.00 0.09 0.00 0.00 178.44 178.47 1noi h ALA 272 N 2.19 0.00 0.00 1.53 0.00 -0.62 -3.36 119.26 118.99 1noi h ALA 272 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1noi h ALA 272 Cb 0.91 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1noi h ALA 272 CO 0.00 0.03 0.10 0.39 0.00 0.00 0.00 179.25 179.77 1noi n GLU 273 N -4.26 0.11 -0.76 0.00 1.02 -0.05 -2.16 120.64 114.54 1noi n GLU 273 Ca -0.00 0.60 0.07 0.00 -0.02 0.00 0.00 57.16 57.80 1noi n GLU 273 Cb 0.02 -1.98 0.36 0.00 -0.02 0.00 0.00 31.44 29.81 1noi n GLU 273 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1noi n ASN 274 N -2.14 5.08 0.05 1.62 2.04 -0.94 -3.25 115.26 117.72 1noi n ASN 274 Ca -0.01 -2.76 -0.10 0.00 -0.44 0.00 0.00 54.58 51.27 1noi n ASN 274 Cb 0.13 -0.65 0.04 0.00 -2.53 0.00 0.00 39.78 36.77 1noi n ASN 274 CO 0.00 0.00 0.00 0.40 -0.44 0.00 0.00 177.26 177.22 1noi h ILE 275 N 3.57 1.37 -0.02 1.53 2.04 -1.66 -3.20 117.51 121.14 1noi h ILE 275 Ca 0.00 -2.08 0.00 0.00 1.00 0.00 0.00 64.86 63.78 1noi h ILE 275 Cb 1.74 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 39.88 1noi h ILE 275 CO 0.40 0.63 -0.01 -1.20 0.00 0.00 0.00 178.15 177.98 1noi n SER 276 N -3.86 2.43 0.05 1.72 7.64 -1.20 -4.58 113.62 115.82 1noi n SER 276 Ca -0.04 -1.81 -0.21 0.00 1.01 0.00 0.00 58.87 57.83 1noi n SER 276 Cb 0.69 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.75 1noi n SER 276 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1noi h ARG 277 N 3.80 0.30 -4.30 1.43 3.08 -1.71 0.16 114.38 117.15 1noi h ARG 277 Ca 0.00 -0.52 -0.22 0.00 0.07 0.00 0.00 59.98 59.31 1noi h ARG 277 Cb 0.81 0.19 -0.21 0.00 0.08 0.00 0.00 29.97 30.84 1noi h ARG 277 CO 0.00 1.25 -0.72 0.08 -1.07 0.00 0.00 179.97 179.51 1noi s VAL 278 N -2.45 0.34 0.55 2.04 1.01 -1.26 -1.31 120.40 119.32 1noi s VAL 278 Ca -0.14 -1.02 -0.16 0.00 0.00 0.00 0.00 61.98 60.65 1noi s VAL 278 Cb 0.02 -0.48 -0.06 0.00 0.00 0.00 0.00 36.38 35.86 1noi s VAL 278 CO 0.83 -0.45 1.02 -0.22 0.00 0.00 0.00 175.10 176.27 1noi s LEU 279 N -1.56 3.57 0.19 3.92 0.20 0.48 -5.01 118.68 120.47 1noi s LEU 279 Ca -0.12 1.67 0.01 0.00 0.69 0.00 0.00 54.13 56.37 1noi s LEU 279 Cb -0.10 -4.52 -0.05 0.00 -0.43 0.00 0.00 46.19 41.10 1noi s LEU 279 CO -0.00 -0.82 0.05 -0.31 -0.29 0.00 0.00 176.35 174.98 1noi s TYR 280 N -2.57 1.25 -0.59 5.38 2.02 -1.26 -4.83 117.35 116.76 1noi s TYR 280 Ca 0.61 -1.14 0.06 0.00 -0.37 0.00 0.00 57.07 56.23 1noi s TYR 280 Cb -0.12 -0.71 0.11 0.00 -0.40 0.00 0.00 41.96 40.84 1noi s TYR 280 CO 0.34 -0.34 0.94 -0.35 -1.57 0.00 0.00 175.55 174.57 1noi n PRO 281 N -0.29 1.60 0.00 -1.71 -0.04 -1.26 -5.15 135.00 128.15 1noi n PRO 281 Ca -0.04 -1.39 0.00 0.00 -0.04 0.00 0.00 63.50 62.04 1noi n PRO 281 Cb 0.64 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.98 1noi n PRO 281 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1noi n GLU 287 N 0.16 0.00 -3.87 0.54 -0.00 -1.26 -5.14 120.64 111.07 1noi n GLU 287 Ca 0.05 0.00 -0.33 0.00 -0.00 0.00 0.00 57.16 56.88 1noi n GLU 287 Cb 0.26 0.00 -0.13 0.00 -0.00 0.00 0.00 31.44 31.57 1noi n GLU 287 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1noi s GLY 288 N 0.00 2.24 0.05 -1.84 0.00 -1.26 -4.88 107.32 101.62 1noi s GLY 288 Ca 0.00 -2.93 -0.10 0.00 0.00 0.00 0.00 44.72 41.69 1noi s GLY 288 CO 0.00 1.02 0.21 1.25 0.00 0.00 0.00 173.10 175.59 1noi s LYS 289 N 0.37 0.74 0.26 2.90 2.20 -1.26 -5.06 119.74 119.89 1noi s LYS 289 Ca 0.14 -0.66 -0.02 0.00 -0.36 0.00 0.00 55.97 55.06 1noi s LYS 289 Cb -0.22 0.31 0.44 0.00 -1.51 0.00 0.00 37.83 36.84 1noi s LYS 289 CO -0.04 -0.22 1.85 1.49 -0.36 0.00 0.00 175.35 178.07 1noi h GLU 290 N 3.30 0.98 -0.22 4.03 4.81 -1.99 -1.81 114.58 123.68 1noi h GLU 290 Ca -0.32 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 58.82 1noi h GLU 290 Cb 1.19 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 1noi h GLU 290 CO 0.49 0.65 0.00 -0.07 -0.73 0.00 0.00 179.01 179.35 1noi h LEU 291 N 1.01 0.30 -0.53 1.64 3.38 -1.98 -1.14 115.31 117.98 1noi h LEU 291 Ca 0.44 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 58.24 1noi h LEU 291 Cb 0.31 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1noi h LEU 291 CO -0.22 0.35 -0.19 0.03 0.09 0.00 0.00 178.44 178.51 1noi h ARG 292 N 0.32 1.00 -0.34 1.13 3.08 -1.68 -1.56 114.38 116.32 1noi h ARG 292 Ca 0.07 -0.41 -0.17 0.00 0.07 0.00 0.00 59.98 59.55 1noi h ARG 292 Cb 0.21 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1noi h ARG 292 CO 0.00 1.09 -0.44 1.25 -1.07 0.00 0.00 179.97 180.80 1noi h LEU 293 N 0.87 0.97 -0.97 3.04 5.85 -1.13 -2.04 115.31 121.90 1noi h LEU 293 Ca 0.12 -0.47 -0.06 0.00 0.84 0.00 0.00 57.88 58.31 1noi h LEU 293 Cb 0.76 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1noi h LEU 293 CO 0.06 1.26 0.08 0.11 -0.34 0.00 0.00 178.44 179.62 1noi h LYS 294 N 0.72 0.83 -0.44 1.25 1.57 -1.03 0.13 116.57 119.60 1noi h LYS 294 Ca 0.04 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.54 1noi h LYS 294 Cb 1.04 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 1noi h LYS 294 CO 0.10 0.78 -0.12 1.96 -0.57 0.00 0.00 179.45 181.61 1noi h GLN 295 N 0.79 0.79 -0.17 3.15 4.20 -0.96 0.24 115.11 123.16 1noi h GLN 295 Ca 0.17 -0.27 -0.21 0.00 0.06 0.00 0.00 58.65 58.40 1noi h GLN 295 Cb 0.36 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.08 1noi h GLN 295 CO 0.01 0.87 -0.73 0.93 -0.67 0.00 0.00 178.83 179.24 1noi h GLU 296 N 0.71 0.76 0.10 1.46 5.08 -0.96 -2.69 114.58 119.05 1noi h GLU 296 Ca 0.12 -0.59 -0.28 0.00 -1.00 0.00 0.00 59.36 57.61 1noi h GLU 296 Cb 0.60 0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.99 1noi h GLU 296 CO 0.04 1.20 -1.19 -0.92 -1.00 0.00 0.00 179.01 177.14 1noi h TYR 297 N 0.53 0.81 -0.06 4.33 3.20 -0.58 -3.25 116.97 121.94 1noi h TYR 297 Ca -0.04 -0.52 0.04 0.00 3.14 0.00 0.00 58.73 61.35 1noi h TYR 297 Cb 1.34 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 39.51 1noi h TYR 297 CO 0.08 1.37 -0.19 0.35 -1.64 0.00 0.00 178.16 178.12 1noi h PHE 298 N 0.22 -0.50 0.00 -3.82 3.57 -0.54 -1.14 116.94 114.73 1noi h PHE 298 Ca -0.16 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.32 1noi h PHE 298 Cb 1.87 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 40.84 1noi h PHE 298 CO 0.09 -0.27 -0.20 -0.24 -2.23 0.00 0.00 178.31 175.46 1noi h VAL 299 N -0.28 1.05 0.15 1.41 3.04 -1.63 -3.04 116.25 116.96 1noi h VAL 299 Ca 0.08 -0.70 -0.20 0.00 -1.01 0.00 0.00 66.70 64.87 1noi h VAL 299 Cb 0.39 1.38 0.02 0.00 -2.01 0.00 0.00 31.29 31.07 1noi h VAL 299 CO -0.22 0.19 -0.88 0.58 -1.01 0.00 0.00 177.57 176.23 1noi h VAL 300 N 0.00 1.48 -0.40 1.51 2.07 -1.51 -2.61 116.25 116.79 1noi h VAL 300 Ca -0.00 -2.54 -0.03 0.00 0.82 0.00 0.00 66.70 64.95 1noi h VAL 300 Cb 0.37 3.17 -0.02 0.00 -1.52 0.00 0.00 31.29 33.29 1noi h VAL 300 CO 0.03 0.72 0.15 0.00 0.02 0.00 0.00 177.57 178.48 1noi h ALA 301 N 0.08 0.52 0.24 1.67 0.00 -1.26 -2.54 119.26 117.96 1noi h ALA 301 Ca -0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1noi h ALA 301 Cb 1.67 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1noi h ALA 301 CO 0.15 0.14 -0.11 0.00 0.00 0.00 0.00 179.25 179.43 1noi h ALA 302 N 0.99 -0.32 0.00 0.00 0.00 -1.64 -1.45 119.26 116.84 1noi h ALA 302 Ca 0.13 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1noi h ALA 302 Cb 0.22 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1noi h ALA 302 CO -0.01 -0.47 -0.32 1.15 0.00 0.00 0.00 179.25 179.60 1noi h THR 303 N -0.74 0.30 -0.78 0.00 2.02 -1.54 -1.19 112.91 110.97 1noi h THR 303 Ca -0.03 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.17 1noi h THR 303 Cb 0.50 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 1noi h THR 303 CO 0.05 0.00 0.51 -0.07 0.37 0.00 0.00 175.52 176.39 1noi h LEU 304 N -0.48 0.85 -1.17 2.58 4.07 -1.50 0.12 115.31 119.80 1noi h LEU 304 Ca 0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 1noi h LEU 304 Cb 0.56 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.06 1noi h LEU 304 CO -0.26 0.60 0.38 1.56 -1.08 0.00 0.00 178.44 179.64 1noi h GLN 305 N 0.99 0.96 0.03 1.13 4.20 -0.78 -1.60 115.11 120.05 1noi h GLN 305 Ca 0.30 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.91 1noi h GLN 305 Cb -0.02 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.57 1noi h GLN 305 CO -0.08 0.70 -0.02 0.22 -0.67 0.00 0.00 178.83 178.99 1noi h ASP 306 N 0.97 -0.04 -0.29 1.46 3.58 0.37 -1.96 116.42 120.51 1noi h ASP 306 Ca 0.25 -0.49 0.06 0.00 0.42 0.00 0.00 57.03 57.26 1noi h ASP 306 Cb 0.02 0.01 -0.06 0.00 1.72 0.00 0.00 39.33 41.02 1noi h ASP 306 CO -0.04 0.49 -0.09 0.40 -2.88 0.00 0.00 179.24 177.11 1noi h ILE 307 N -0.57 0.66 -0.37 2.25 2.04 -0.89 0.19 117.51 120.82 1noi h ILE 307 Ca -0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1noi h ILE 307 Cb 0.53 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1noi h ILE 307 CO 0.01 0.00 0.13 0.40 0.00 0.00 0.00 178.15 178.69 1noi h ILE 308 N -0.03 1.20 -0.46 -0.67 2.04 -1.33 0.19 117.51 118.45 1noi h ILE 308 Ca 0.14 -0.64 -0.07 0.00 1.00 0.00 0.00 64.86 65.29 1noi h ILE 308 Cb 0.25 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1noi h ILE 308 CO -0.32 0.23 -0.00 -0.09 0.00 0.00 0.00 178.15 177.96 1noi h ARG 309 N 0.45 0.81 0.00 2.37 1.12 -0.53 0.84 114.38 119.44 1noi h ARG 309 Ca 0.12 -0.26 -0.05 0.00 -1.11 0.00 0.00 59.98 58.68 1noi h ARG 309 Cb 0.22 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.10 1noi h ARG 309 CO -0.01 0.87 -0.24 -0.09 -3.11 0.00 0.00 179.97 177.40 1noi h ARG 310 N 0.66 0.00 -0.25 0.20 2.43 -0.45 -0.76 114.38 116.20 1noi h ARG 310 Ca 0.13 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 1noi h ARG 310 Cb 0.51 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1noi h ARG 310 CO 0.02 0.24 -0.11 0.35 -1.51 0.00 0.00 179.97 178.96 1noi h PHE 311 N 0.00 0.58 0.00 2.20 3.57 0.17 -3.28 116.94 120.18 1noi h PHE 311 Ca -0.00 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.36 1noi h PHE 311 Cb 0.55 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1noi h PHE 311 CO 0.00 0.76 0.00 1.63 -2.23 0.00 0.00 178.31 178.47 1noi n LYS 312 N -4.50 0.00 0.12 1.11 5.02 -0.34 -2.59 118.16 116.99 1noi n LYS 312 Ca -0.04 0.12 -0.13 0.00 -2.02 0.00 0.00 58.31 56.24 1noi n LYS 312 Cb 0.34 -0.59 -0.08 0.00 -0.02 0.00 0.00 35.03 34.69 1noi n LYS 312 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1noi h SER 313 N 0.00 -1.20 -2.57 4.39 0.02 -1.38 0.65 113.55 113.46 1noi h SER 313 Ca 0.00 0.12 -0.54 0.00 -0.84 0.00 0.00 61.79 60.53 1noi h SER 313 Cb 0.00 0.43 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1noi h SER 313 CO 0.00 -0.46 1.11 -0.55 -1.14 0.00 0.00 176.83 175.79 1noi s SER 314 N -4.08 6.62 0.00 3.07 0.15 -1.24 -2.99 113.70 115.23 1noi s SER 314 Ca -0.13 2.35 0.00 0.00 0.70 0.00 0.00 55.95 58.87 1noi s SER 314 Cb 0.04 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 1noi s SER 314 CO 0.47 -0.95 0.00 1.17 1.20 0.00 0.00 173.24 175.13 1noi n LYS 315 N 7.08 0.00 0.00 5.44 3.00 -1.25 -4.42 118.16 128.00 1noi n LYS 315 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 1noi n LYS 315 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.45 1noi n LYS 315 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1noi n PHE 316 N 0.00 0.00 -0.10 5.64 3.01 0.18 0.37 117.46 126.56 1noi n PHE 316 Ca 0.00 -0.40 -0.16 0.00 1.01 0.00 0.00 57.45 57.90 1noi n PHE 316 Cb 0.00 -0.22 -0.07 0.00 -0.01 0.00 0.00 39.48 39.18 1noi n PHE 316 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1noi n GLY 317 N 0.56 -0.76 0.11 1.37 0.00 0.12 -3.87 105.19 102.72 1noi n GLY 317 Ca 0.00 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 1noi n GLY 317 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1noi n ARG 319 N -4.27 3.65 0.10 0.00 0.63 0.16 -4.95 116.66 111.96 1noi n ARG 319 Ca -0.34 -3.36 -0.14 0.00 -0.92 0.00 0.00 57.85 53.10 1noi n ARG 319 Cb 0.75 -2.93 -0.07 0.00 0.45 0.00 0.00 32.46 30.66 1noi n ARG 319 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1noi h ASP 320 N 5.60 -1.24 0.00 6.15 3.58 -1.67 -3.27 116.42 125.57 1noi h ASP 320 Ca 0.47 0.14 -0.01 0.00 0.42 0.00 0.00 57.03 58.06 1noi h ASP 320 Cb 0.58 0.47 -0.00 0.00 1.72 0.00 0.00 39.33 42.10 1noi h ASP 320 CO 1.65 -0.48 -1.04 -0.81 -2.88 0.00 0.00 179.24 175.68 1noi n PRO 321 N -5.46 2.50 -2.12 0.28 -0.05 -1.26 -3.83 135.00 125.06 1noi n PRO 321 Ca -0.07 -0.00 -0.42 0.00 -0.05 0.00 0.00 63.50 62.96 1noi n PRO 321 Cb 0.37 -1.02 0.00 0.00 -0.05 0.00 0.00 33.50 32.81 1noi n PRO 321 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 175.50 177.00 1noi n VAL 322 N -1.84 3.75 -3.44 0.52 3.14 -1.26 -1.50 118.33 117.69 1noi n VAL 322 Ca -0.01 -3.59 -0.18 0.00 -2.96 0.00 0.00 64.34 57.60 1noi n VAL 322 Cb 0.34 -2.50 0.09 0.00 -1.06 0.00 0.00 33.84 30.71 1noi n VAL 322 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1noi n ARG 323 N 6.49 -6.78 -2.24 1.45 5.12 -1.26 -3.76 116.66 115.68 1noi n ARG 323 Ca 0.49 0.84 -0.00 0.00 -1.93 0.00 0.00 57.85 57.24 1noi n ARG 323 Cb 0.41 -5.84 -0.00 0.00 -1.16 0.00 0.00 32.46 25.87 1noi n ARG 323 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 1noi n THR 324 N -4.24 -7.24 -3.60 0.55 5.66 -0.56 -5.04 114.28 99.80 1noi n THR 324 Ca -0.24 1.69 -0.13 0.00 -3.05 0.00 0.00 64.05 62.33 1noi n THR 324 Cb 0.65 -4.02 -0.05 0.00 -1.55 0.00 0.00 70.33 65.36 1noi n THR 324 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1noi s ASN 325 N -0.32 -0.35 0.09 1.09 3.84 -1.25 -4.87 114.94 113.16 1noi s ASN 325 Ca -0.01 -0.01 0.07 0.00 0.21 0.00 0.00 52.86 53.12 1noi s ASN 325 Cb 0.00 0.48 0.36 0.00 -0.55 0.00 0.00 41.25 41.54 1noi s ASN 325 CO 0.03 -0.76 1.22 0.49 -2.79 0.00 0.00 177.10 175.29 1noi n PHE 326 N 0.22 0.21 -0.25 0.43 3.72 -1.26 -3.90 117.46 116.62 1noi n PHE 326 Ca -0.18 0.11 0.28 0.00 -0.05 0.00 0.00 57.45 57.61 1noi n PHE 326 Cb 0.61 -0.67 0.66 0.00 -0.94 0.00 0.00 39.48 39.14 1noi n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1noi h ASP 327 N 0.00 0.15 -0.28 4.37 3.32 -1.96 0.18 116.42 122.20 1noi h ASP 327 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1noi h ASP 327 Cb 0.03 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1noi h ASP 327 CO 0.00 0.04 0.00 0.00 -1.72 0.00 0.00 179.24 177.56 1noi n ALA 328 N -2.65 2.45 -0.12 3.45 0.00 -1.25 -4.46 120.51 117.93 1noi n ALA 328 Ca 0.22 -0.83 -0.06 0.00 0.00 0.00 0.00 53.44 52.77 1noi n ALA 328 Cb 0.98 -0.93 0.02 0.00 0.00 0.00 0.00 19.45 19.53 1noi n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1noi h PHE 329 N 3.93 0.33 0.00 0.00 3.57 -1.20 -1.36 116.94 122.21 1noi h PHE 329 Ca 0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1noi h PHE 329 Cb 0.86 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.51 1noi h PHE 329 CO 0.18 0.16 -0.00 -1.35 -2.23 0.00 0.00 178.31 175.07 1noi h PRO 330 N 0.37 0.00 0.00 6.41 0.11 -1.78 0.72 132.00 137.84 1noi h PRO 330 Ca 0.18 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.16 1noi h PRO 330 Cb 0.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 1noi h PRO 330 CO -0.14 0.00 -0.69 -0.44 -0.21 0.00 0.00 178.00 176.53 1noi h ASP 331 N 0.00 0.00 0.00 -2.05 3.32 -1.55 -3.38 116.42 112.76 1noi h ASP 331 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1noi h ASP 331 Cb 0.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1noi h ASP 331 CO 0.00 0.58 -1.51 0.29 -1.72 0.00 0.00 179.24 176.88 1noi n LYS 332 N -3.20 0.63 -4.81 3.56 4.76 -0.59 -4.27 118.16 114.24 1noi n LYS 332 Ca 0.00 -0.08 -0.25 0.00 -2.87 0.00 0.00 58.31 55.11 1noi n LYS 332 Cb 0.78 -1.25 -0.16 0.00 -1.84 0.00 0.00 35.03 32.56 1noi n LYS 332 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1noi s VAL 333 N -2.65 1.36 -0.09 -0.18 1.01 0.15 -0.50 120.40 119.48 1noi s VAL 333 Ca -0.04 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1noi s VAL 333 Cb 0.06 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.32 1noi s VAL 333 CO 0.43 0.39 -0.09 0.00 0.00 0.00 0.00 175.10 175.82 1noi s ALA 334 N -0.25 1.27 -0.30 5.51 0.00 -0.27 -4.57 121.76 123.14 1noi s ALA 334 Ca 0.03 -0.47 -0.10 0.00 0.00 0.00 0.00 51.96 51.43 1noi s ALA 334 Cb -0.08 -0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.28 1noi s ALA 334 CO 0.00 -0.17 0.15 0.42 0.00 0.00 0.00 175.76 176.17 1noi s ILE 335 N 1.22 4.70 -0.34 0.00 1.01 -0.38 -1.20 121.20 126.21 1noi s ILE 335 Ca -0.04 -0.30 -0.17 0.00 0.00 0.00 0.00 60.65 60.14 1noi s ILE 335 Cb -0.14 -3.35 -0.01 0.00 0.01 0.00 0.00 42.46 38.97 1noi s ILE 335 CO -0.03 0.12 0.47 -1.58 0.00 0.00 0.00 174.94 173.92 1noi s GLN 336 N 1.64 3.65 -0.39 2.79 2.00 -0.12 -2.09 119.66 127.14 1noi s GLN 336 Ca 0.05 -0.19 -0.18 0.00 -2.00 0.00 0.00 55.36 53.05 1noi s GLN 336 Cb -0.17 -3.79 0.01 0.00 0.80 0.00 0.00 33.01 29.86 1noi s GLN 336 CO 0.07 -0.57 0.47 -0.51 -0.50 0.00 0.00 175.29 174.25 1noi s LEU 337 N 2.27 4.60 -0.74 3.68 1.02 -0.41 -1.75 118.68 127.34 1noi s LEU 337 Ca 0.17 -0.38 -0.18 0.00 0.02 0.00 0.00 54.13 53.76 1noi s LEU 337 Cb -0.16 -2.48 0.13 0.00 0.02 0.00 0.00 46.19 43.70 1noi s LEU 337 CO 0.12 -0.54 0.87 0.21 0.02 0.00 0.00 176.35 177.04 1noi s ASN 338 N 1.81 6.42 0.27 2.29 2.47 -1.21 0.15 114.94 127.13 1noi s ASN 338 Ca 0.15 -1.79 0.00 0.00 0.42 0.00 0.00 52.86 51.64 1noi s ASN 338 Cb -0.16 -2.33 0.00 0.00 -1.45 0.00 0.00 41.25 37.31 1noi s ASN 338 CO 0.14 -1.04 0.00 0.47 -3.72 0.00 0.00 177.10 172.95 1noi n ASP 339 N 6.15 -2.81 -0.25 -4.21 8.00 0.63 -4.26 116.55 119.80 1noi n ASP 339 Ca 0.05 0.28 0.15 0.00 0.71 0.00 0.00 54.79 55.98 1noi n ASP 339 Cb 0.46 -0.80 0.71 0.00 -0.02 0.00 0.00 41.12 41.47 1noi n ASP 339 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1noi n THR 340 N -1.47 0.01 -0.28 -3.53 -2.24 -1.26 -4.20 114.28 101.31 1noi n THR 340 Ca 0.00 -0.13 -0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1noi n THR 340 Cb 0.12 0.01 0.12 0.00 -2.10 0.00 0.00 70.33 68.48 1noi n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1noi h HIS 341 N 1.19 0.87 -0.43 4.78 3.86 -1.98 -1.95 115.15 121.49 1noi h HIS 341 Ca 0.00 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.15 1noi h HIS 341 Cb 0.25 -0.28 -0.05 0.00 1.06 0.00 0.00 27.41 28.39 1noi h HIS 341 CO 0.00 0.44 0.11 -0.35 0.86 0.00 0.00 177.93 179.00 1noi n PRO 342 N -4.68 3.01 0.27 2.45 -0.05 -1.26 -4.64 135.00 130.11 1noi n PRO 342 Ca 0.11 -1.96 0.15 0.00 -0.05 0.00 0.00 63.50 61.75 1noi n PRO 342 Cb 0.17 -1.92 0.74 0.00 -0.05 0.00 0.00 33.50 32.44 1noi n PRO 342 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 1noi h SER 343 N 2.01 0.00 0.17 3.54 4.64 -1.61 -1.95 113.55 120.34 1noi h SER 343 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1noi h SER 343 Cb 1.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.73 1noi h SER 343 CO 0.42 0.09 0.00 0.18 -0.87 0.00 0.00 176.83 176.64 1noi n LEU 344 N -3.35 0.00 0.23 5.97 4.77 -1.26 -2.35 117.00 121.02 1noi n LEU 344 Ca -0.01 0.41 0.06 0.00 -0.03 0.00 0.00 56.01 56.44 1noi n LEU 344 Cb 0.27 -0.41 0.55 0.00 -2.33 0.00 0.00 43.42 41.50 1noi n LEU 344 CO 0.28 -0.32 0.94 0.00 -1.33 0.00 0.00 177.39 176.96 1noi h ALA 345 N 2.24 1.74 0.12 -1.18 0.00 -1.71 0.79 119.26 121.28 1noi h ALA 345 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1noi h ALA 345 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1noi h ALA 345 CO 0.00 0.17 -0.06 0.82 0.00 0.00 0.00 179.25 180.19 1noi h ILE 346 N 0.00 0.97 -0.16 0.00 2.04 -1.71 0.23 117.51 118.88 1noi h ILE 346 Ca -0.00 -1.26 -0.06 0.00 1.00 0.00 0.00 64.86 64.54 1noi h ILE 346 Cb 0.25 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1noi h ILE 346 CO 0.02 0.26 -0.15 1.55 0.00 0.00 0.00 178.15 179.83 1noi h PRO 347 N -0.84 0.26 -0.01 2.37 0.13 -1.75 -2.61 132.00 129.55 1noi h PRO 347 Ca -0.02 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1noi h PRO 347 Cb 0.55 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 1noi h PRO 347 CO 0.03 0.41 -0.00 1.49 -0.23 0.00 0.00 178.00 179.70 1noi h GLU 348 N 0.24 0.01 -0.69 0.86 4.57 -0.85 0.61 114.58 119.33 1noi h GLU 348 Ca 0.05 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.24 1noi h GLU 348 Cb 0.41 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.97 1noi h GLU 348 CO 0.03 0.39 0.45 1.25 -1.18 0.00 0.00 179.01 179.95 1noi h LEU 349 N -0.37 0.77 -0.53 1.64 5.85 -0.49 0.36 115.31 122.53 1noi h LEU 349 Ca 0.00 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1noi h LEU 349 Cb 0.39 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1noi h LEU 349 CO 0.00 0.55 0.32 0.24 -0.34 0.00 0.00 178.44 179.21 1noi h MET 350 N 0.91 0.62 -0.08 1.25 2.86 -1.49 0.59 114.93 119.59 1noi h MET 350 Ca 0.26 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1noi h MET 350 Cb -0.06 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 1noi h MET 350 CO -0.07 0.41 0.03 -0.09 1.06 0.00 0.00 176.91 178.25 1noi h ARG 351 N 0.64 0.08 -0.63 1.72 2.43 0.78 0.93 114.38 120.33 1noi h ARG 351 Ca 0.21 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 1noi h ARG 351 Cb 0.01 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1noi h ARG 351 CO -0.09 0.05 0.20 0.28 -1.51 0.00 0.00 179.97 178.90 1noi h VAL 352 N 0.08 1.25 -0.04 0.20 2.07 -0.05 -0.67 116.25 119.09 1noi h VAL 352 Ca 0.03 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 1noi h VAL 352 Cb 0.01 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1noi h VAL 352 CO -0.02 0.32 -0.08 -0.07 0.02 0.00 0.00 177.57 177.74 1noi h LEU 353 N 0.90 0.13 -0.09 2.57 3.38 -0.73 -0.72 115.31 120.75 1noi h LEU 353 Ca 0.20 -0.58 -0.04 0.00 0.09 0.00 0.00 57.88 57.55 1noi h LEU 353 Cb 0.28 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1noi h LEU 353 CO -0.01 0.68 -0.11 0.58 0.09 0.00 0.00 178.44 179.68 1noi h VAL 354 N -0.42 1.38 0.16 1.22 2.07 -0.85 -1.74 116.25 118.07 1noi h VAL 354 Ca 0.00 -1.31 -0.30 0.00 0.82 0.00 0.00 66.70 65.90 1noi h VAL 354 Cb 0.66 2.05 0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1noi h VAL 354 CO 0.02 0.37 -1.50 0.44 0.02 0.00 0.00 177.57 176.92 1noi h ASP 355 N -0.21 0.53 0.15 0.57 5.19 -1.24 -2.98 116.42 118.43 1noi h ASP 355 Ca 0.01 -0.90 -0.36 0.00 -0.62 0.00 0.00 57.03 55.16 1noi h ASP 355 Cb 0.65 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.96 1noi h ASP 355 CO 0.03 1.68 -1.99 0.18 -3.12 0.00 0.00 179.24 176.01 1noi n LEU 356 N -3.79 2.50 -0.74 1.55 4.32 -0.39 -4.42 117.00 116.02 1noi n LEU 356 Ca -0.23 0.22 0.11 0.00 -0.02 0.00 0.00 56.01 56.08 1noi n LEU 356 Cb 0.98 -1.00 0.06 0.00 -1.62 0.00 0.00 43.42 41.84 1noi n LEU 356 CO 0.48 0.82 0.49 -0.62 -1.22 0.00 0.00 177.39 177.33 1noi n GLU 357 N -3.44 1.82 -3.87 3.23 -0.58 -0.51 -5.02 120.64 112.28 1noi n GLU 357 Ca -0.31 -1.51 -0.26 0.00 -0.42 0.00 0.00 57.16 54.65 1noi n GLU 357 Cb 1.05 -1.44 0.02 0.00 -0.57 0.00 0.00 31.44 30.50 1noi n GLU 357 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1noi n ARG 358 N 0.77 -4.69 -3.40 3.49 3.00 -1.00 -4.96 116.66 109.88 1noi n ARG 358 Ca 0.11 0.55 -0.27 0.00 -0.01 0.00 0.00 57.85 58.24 1noi n ARG 358 Cb 0.52 -5.16 -0.02 0.00 0.00 0.00 0.00 32.46 27.79 1noi n ARG 358 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1noi s LEU 359 N -7.00 4.06 0.66 0.55 1.43 -0.69 -5.00 118.68 112.70 1noi s LEU 359 Ca 0.30 0.57 -0.15 0.00 -1.03 0.00 0.00 54.13 53.82 1noi s LEU 359 Cb -0.15 -3.39 -0.00 0.00 0.03 0.00 0.00 46.19 42.67 1noi s LEU 359 CO 0.84 -0.21 1.11 -1.81 0.23 0.00 0.00 176.35 176.51 1noi s ASP 360 N -3.49 5.12 0.12 2.29 1.01 -1.26 -4.20 116.67 116.26 1noi s ASP 360 Ca 0.42 1.99 -0.33 0.00 0.71 0.00 0.00 52.55 55.34 1noi s ASP 360 Cb -0.10 -2.55 -0.11 0.00 1.01 0.00 0.00 42.92 41.17 1noi s ASP 360 CO 0.32 -1.62 1.56 -0.25 0.21 0.00 0.00 175.17 175.39 1noi h TRP 361 N 0.03 -1.51 -0.33 4.23 7.01 -1.96 0.28 115.95 123.68 1noi h TRP 361 Ca -0.47 0.06 0.00 0.00 2.11 0.00 0.00 58.89 60.59 1noi h TRP 361 Cb 1.25 0.68 -0.02 0.00 -2.10 0.00 0.00 29.16 28.97 1noi h TRP 361 CO 0.55 -0.53 0.21 -0.44 -2.79 0.00 0.00 178.44 175.44 1noi h ASP 362 N -0.56 0.39 0.19 2.65 5.19 -1.98 0.22 116.42 122.52 1noi h ASP 362 Ca 0.05 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 1noi h ASP 362 Cb 0.67 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.09 1noi h ASP 362 CO -0.43 0.29 -0.09 0.50 -3.12 0.00 0.00 179.24 176.38 1noi h LYS 363 N 0.45 -0.25 -0.55 3.56 1.63 -1.63 -1.85 116.57 117.93 1noi h LYS 363 Ca 0.12 0.02 0.09 0.00 -0.85 0.00 0.00 60.65 60.03 1noi h LYS 363 Cb -0.04 0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 31.57 1noi h LYS 363 CO -0.03 0.15 0.15 0.00 -3.45 0.00 0.00 179.45 176.27 1noi h ALA 364 N -0.11 0.66 -0.48 5.00 0.00 -0.48 0.37 119.26 124.22 1noi h ALA 364 Ca -0.03 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1noi h ALA 364 Cb 0.51 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1noi h ALA 364 CO 0.04 -0.27 0.04 2.35 0.00 0.00 0.00 179.25 181.42 1noi h TRP 365 N 0.30 0.80 -0.37 0.00 2.91 -0.56 -0.03 115.95 119.00 1noi h TRP 365 Ca 0.28 -0.09 -0.15 0.00 1.13 0.00 0.00 58.89 60.06 1noi h TRP 365 Cb 0.37 -0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 28.79 1noi h TRP 365 CO -0.21 0.72 -0.35 1.49 -1.03 0.00 0.00 178.44 179.06 1noi h GLU 366 N 0.72 0.89 -0.66 2.65 4.81 -0.12 -1.40 114.58 121.47 1noi h GLU 366 Ca 0.15 -0.47 -0.05 0.00 -0.13 0.00 0.00 59.36 58.86 1noi h GLU 366 Cb 0.38 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 1noi h GLU 366 CO 0.01 1.11 0.21 0.28 -0.73 0.00 0.00 179.01 179.89 1noi h VAL 367 N 0.70 1.25 0.28 0.32 2.07 -0.79 -2.90 116.25 117.19 1noi h VAL 367 Ca 0.06 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 1noi h VAL 367 Cb 0.94 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1noi h VAL 367 CO 0.09 0.33 -0.14 0.74 0.02 0.00 0.00 177.57 178.61 1noi h THR 368 N 0.96 0.74 0.00 2.57 2.02 -0.73 -0.80 112.91 117.67 1noi h THR 368 Ca 0.21 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.24 1noi h THR 368 Cb 0.30 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1noi h THR 368 CO -0.01 0.03 0.00 1.62 0.37 0.00 0.00 175.52 177.54 1noi h VAL 369 N -0.46 0.00 0.00 3.16 3.04 -1.29 -1.35 116.25 119.35 1noi h VAL 369 Ca -0.04 -0.69 0.00 0.00 -1.01 0.00 0.00 66.70 64.96 1noi h VAL 369 Cb 0.35 1.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 1noi h VAL 369 CO 0.06 0.00 0.00 0.11 -1.01 0.00 0.00 177.57 176.73 1noi h LYS 370 N 0.00 0.00 0.07 4.17 1.57 -1.31 -2.29 116.57 118.78 1noi h LYS 370 Ca 0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 1noi h LYS 370 Cb 0.70 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 1noi h LYS 370 CO 0.00 0.00 -1.60 1.15 -0.57 0.00 0.00 179.45 178.43 1noi h THR 371 N 0.00 1.03 -2.74 -0.16 2.02 -0.00 -3.47 112.91 109.60 1noi h THR 371 Ca 0.00 -2.77 -0.58 0.00 0.77 0.00 0.00 66.41 63.84 1noi h THR 371 Cb 0.93 2.62 -0.05 0.00 -1.74 0.00 0.00 68.15 69.90 1noi h THR 371 CO 0.00 0.74 -0.53 0.00 0.37 0.00 0.00 175.52 176.10 1noi s ALA 373 N -1.67 -0.52 -0.05 0.00 0.00 -0.89 -1.08 121.76 117.55 1noi s ALA 373 Ca 0.32 0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.38 1noi s ALA 373 Cb -0.11 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.10 1noi s ALA 373 CO 0.25 -0.23 -0.14 -0.47 0.00 0.00 0.00 175.76 175.17 1noi s TYR 374 N -1.35 1.51 -0.13 0.00 5.04 -0.88 -1.29 117.35 120.25 1noi s TYR 374 Ca -0.14 -0.46 -0.03 0.00 -2.44 0.00 0.00 57.07 54.00 1noi s TYR 374 Cb -0.07 -1.05 -0.03 0.00 0.35 0.00 0.00 41.96 41.17 1noi s TYR 374 CO 0.03 -0.18 -0.03 0.99 -1.34 0.00 0.00 175.55 175.01 1noi s THR 375 N 0.23 3.97 -0.14 4.34 2.01 0.12 -1.76 115.64 124.41 1noi s THR 375 Ca -0.07 -0.34 -0.05 0.00 0.31 0.00 0.00 61.69 61.55 1noi s THR 375 Cb -0.12 -2.71 -0.03 0.00 0.01 0.00 0.00 72.50 69.64 1noi s THR 375 CO 0.02 0.53 0.02 0.21 -0.69 0.00 0.00 174.62 174.71 1noi s ASN 376 N -0.02 5.30 0.00 3.53 3.84 0.48 -0.27 114.94 127.81 1noi s ASN 376 Ca 0.01 0.06 0.05 0.00 0.21 0.00 0.00 52.86 53.20 1noi s ASN 376 Cb -0.13 -1.76 -0.06 0.00 -0.55 0.00 0.00 41.25 38.75 1noi s ASN 376 CO 0.02 0.25 0.22 1.41 -2.79 0.00 0.00 177.10 176.22 1noi n HIS 377 N 3.01 0.00 -3.68 0.43 8.25 -1.26 -4.24 115.22 117.73 1noi n HIS 377 Ca -0.18 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.16 1noi n HIS 377 Cb 0.53 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.55 1noi n HIS 377 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1noi s THR 378 N -1.49 -0.00 0.64 1.59 2.01 -1.26 -4.61 115.64 112.52 1noi s THR 378 Ca 0.02 0.02 0.29 0.00 0.31 0.00 0.00 61.69 62.33 1noi s THR 378 Cb 0.04 -0.79 0.33 0.00 0.01 0.00 0.00 72.50 72.08 1noi s THR 378 CO 0.21 0.01 1.92 1.62 -0.69 0.00 0.00 174.62 177.69 1noi h VAL 379 N 4.59 0.15 -2.57 3.82 3.04 -1.93 -3.46 116.25 119.88 1noi h VAL 379 Ca -0.30 0.00 -0.52 0.00 -1.01 0.00 0.00 66.70 64.87 1noi h VAL 379 Cb 1.18 0.66 0.05 0.00 -2.01 0.00 0.00 31.29 31.17 1noi h VAL 379 CO 0.18 0.00 1.08 -0.38 -1.01 0.00 0.00 177.57 177.44 1noi n ILE 380 N -3.21 0.22 0.16 3.17 2.08 -1.26 -4.90 119.36 115.62 1noi n ILE 380 Ca 0.02 -0.04 0.02 0.00 0.56 0.00 0.00 62.75 63.31 1noi n ILE 380 Cb 0.47 -2.09 0.25 0.00 -0.75 0.00 0.00 39.64 37.52 1noi n ILE 380 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 1noi h PRO 381 N 7.89 0.00 -0.32 0.38 0.13 -1.99 -3.34 132.00 134.75 1noi h PRO 381 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1noi h PRO 381 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1noi h PRO 381 CO 0.95 0.49 0.00 0.39 -0.23 0.00 0.00 178.00 179.60 1noi n GLU 382 N -3.66 2.91 -3.39 0.86 4.71 -1.26 -4.68 120.64 116.14 1noi n GLU 382 Ca -0.01 -2.34 -0.27 0.00 -0.01 0.00 0.00 57.16 54.53 1noi n GLU 382 Cb 0.56 -1.48 -0.10 0.00 -1.01 0.00 0.00 31.44 29.41 1noi n GLU 382 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1noi n ALA 383 N 0.15 2.85 -3.63 0.62 0.00 -1.25 -5.04 120.51 114.21 1noi n ALA 383 Ca 0.15 -3.11 -0.21 0.00 0.00 0.00 0.00 53.44 50.27 1noi n ALA 383 Cb 0.60 -0.75 -0.16 0.00 0.00 0.00 0.00 19.45 19.13 1noi n ALA 383 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1noi s LEU 384 N 0.03 1.31 0.36 0.00 2.96 -1.26 -4.79 118.68 117.29 1noi s LEU 384 Ca 0.33 -0.15 -0.28 0.00 -0.22 0.00 0.00 54.13 53.80 1noi s LEU 384 Cb 0.04 -0.52 -0.11 0.00 0.50 0.00 0.00 46.19 46.10 1noi s LEU 384 CO -0.20 -0.06 1.45 -0.62 -1.32 0.00 0.00 176.35 175.61 1noi n GLU 385 N 4.14 2.54 -4.29 1.98 1.02 -1.26 -4.87 120.64 119.90 1noi n GLU 385 Ca -0.23 0.89 -0.19 0.00 -0.02 0.00 0.00 57.16 57.62 1noi n GLU 385 Cb 0.51 -2.59 -0.15 0.00 -0.02 0.00 0.00 31.44 29.18 1noi n GLU 385 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1noi s ARG 386 N -1.87 0.78 -0.07 3.49 0.52 -1.26 -0.31 118.95 120.23 1noi s ARG 386 Ca 0.55 -0.24 0.05 0.00 -0.52 0.00 0.00 55.73 55.56 1noi s ARG 386 Cb -0.50 -0.75 -0.00 0.00 0.52 0.00 0.00 34.95 34.22 1noi s ARG 386 CO 0.62 0.09 -0.21 -1.58 0.02 0.00 0.00 175.30 174.23 1noi s TRP 387 N 0.20 2.17 0.30 -0.53 0.52 -0.29 -4.88 118.94 116.43 1noi s TRP 387 Ca -0.03 -0.74 -0.29 0.00 0.02 0.00 0.00 56.10 55.07 1noi s TRP 387 Cb -0.08 -1.45 -0.13 0.00 -1.15 0.00 0.00 33.47 30.66 1noi s TRP 387 CO 0.00 -0.27 1.20 -2.30 0.02 0.00 0.00 176.95 175.60 1noi n PRO 388 N 3.27 1.79 0.20 4.98 -0.02 -1.26 -0.39 135.00 143.57 1noi n PRO 388 Ca -0.19 0.63 0.07 0.00 -2.02 0.00 0.00 63.50 61.99 1noi n PRO 388 Cb 0.52 -2.14 0.40 0.00 -0.02 0.00 0.00 33.50 32.27 1noi n PRO 388 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1noi h VAL 389 N 2.44 0.81 0.00 -1.45 -1.51 -1.44 -2.15 116.25 112.95 1noi h VAL 389 Ca -0.43 -1.32 -0.05 0.00 -1.23 0.00 0.00 66.70 63.67 1noi h VAL 389 Cb 1.31 1.81 -0.01 0.00 -2.13 0.00 0.00 31.29 32.27 1noi h VAL 389 CO 0.64 0.31 -0.26 1.12 -1.23 0.00 0.00 177.57 178.16 1noi h HIS 390 N 0.00 0.00 0.26 5.19 2.07 -1.90 0.16 115.15 120.93 1noi h HIS 390 Ca -0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.50 1noi h HIS 390 Cb 0.79 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.77 1noi h HIS 390 CO 0.00 0.26 -0.13 -0.07 -3.07 0.00 0.00 177.93 174.92 1noi h LEU 391 N 0.00 -0.30 -0.85 6.12 3.38 -1.75 -2.90 115.31 119.01 1noi h LEU 391 Ca -0.00 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.82 1noi h LEU 391 Cb 0.48 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 1noi h LEU 391 CO 0.03 0.05 0.54 -0.07 0.09 0.00 0.00 178.44 179.09 1noi h LEU 392 N -0.69 0.87 -1.92 1.67 4.07 -1.33 -1.34 115.31 116.64 1noi h LEU 392 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1noi h LEU 392 Cb 0.48 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 42.03 1noi h LEU 392 CO 0.06 0.58 0.06 -0.08 -1.08 0.00 0.00 178.44 177.98 1noi h GLU 393 N 1.02 0.10 0.00 1.13 4.81 -0.70 -0.08 114.58 120.86 1noi h GLU 393 Ca 0.35 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.50 1noi h GLU 393 Cb 0.08 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1noi h GLU 393 CO -0.14 0.07 -0.47 1.15 -0.73 0.00 0.00 179.01 178.89 1noi h THR 394 N 0.11 0.99 0.00 0.32 2.02 -1.07 -3.34 112.91 111.93 1noi h THR 394 Ca 0.04 -1.90 0.00 0.00 0.77 0.00 0.00 66.41 65.32 1noi h THR 394 Cb 0.01 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 1noi h THR 394 CO -0.01 0.33 -1.12 0.00 0.37 0.00 0.00 175.52 175.10 1noi n LEU 395 N -4.58 0.60 -2.94 2.58 -0.00 -0.62 -4.26 117.00 107.78 1noi n LEU 395 Ca -0.15 0.09 -0.20 0.00 -0.00 0.00 0.00 56.01 55.75 1noi n LEU 395 Cb 0.44 -0.08 -0.02 0.00 -0.00 0.00 0.00 43.42 43.76 1noi n LEU 395 CO 0.21 -0.03 -0.06 0.18 -0.00 0.00 0.00 177.39 177.69 1noi n LEU 396 N -2.19 2.36 -0.31 1.47 4.32 -0.05 -0.82 117.00 121.77 1noi n LEU 396 Ca 0.01 -4.96 0.05 0.00 -0.02 0.00 0.00 56.01 51.09 1noi n LEU 396 Cb 0.48 0.19 0.20 0.00 -1.62 0.00 0.00 43.42 42.67 1noi n LEU 396 CO 0.41 2.16 1.16 1.55 -1.22 0.00 0.00 177.39 181.45 1noi h PRO 397 N 2.95 0.79 -0.01 3.23 0.13 -1.66 -1.59 132.00 135.85 1noi h PRO 397 Ca 0.09 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 65.06 1noi h PRO 397 Cb 0.88 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 31.82 1noi h PRO 397 CO 0.62 0.52 -0.52 -0.09 -0.23 0.00 0.00 178.00 178.30 1noi h ARG 398 N 0.82 0.01 -0.13 0.86 9.65 -1.91 -2.85 114.38 120.83 1noi h ARG 398 Ca 0.44 -0.01 -0.13 0.00 -1.10 0.00 0.00 59.98 59.18 1noi h ARG 398 Cb 0.46 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 1noi h ARG 398 CO -0.27 0.53 -0.47 0.45 2.80 0.00 0.00 179.97 183.01 1noi h HIS 399 N 0.01 0.38 0.00 2.20 3.86 -1.66 -1.43 115.15 118.51 1noi h HIS 399 Ca -0.00 -0.12 -0.14 0.00 -1.16 0.00 0.00 60.37 58.95 1noi h HIS 399 Cb 0.93 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.30 1noi h HIS 399 CO 0.00 0.73 -0.66 1.25 0.86 0.00 0.00 177.93 180.12 1noi h LEU 400 N 0.26 0.00 0.15 2.43 7.12 -1.26 0.13 115.31 124.13 1noi h LEU 400 Ca 0.02 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.02 1noi h LEU 400 Cb 0.93 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.06 1noi h LEU 400 CO 0.08 0.66 -0.07 1.56 -0.13 0.00 0.00 178.44 180.53 1noi h GLN 401 N 0.00 -0.20 -0.78 1.25 4.20 -1.37 -1.50 115.11 116.71 1noi h GLN 401 Ca -0.01 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1noi h GLN 401 Cb 1.20 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.98 1noi h GLN 401 CO 0.09 0.12 0.43 0.82 -0.67 0.00 0.00 178.83 179.61 1noi h ILE 402 N -0.53 1.23 -0.73 2.54 2.04 -1.13 -1.55 117.51 119.39 1noi h ILE 402 Ca -0.02 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 1noi h ILE 402 Cb 0.41 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 1noi h ILE 402 CO 0.03 0.26 0.42 0.40 0.00 0.00 0.00 178.15 179.26 1noi h ILE 403 N 1.08 1.21 -0.37 -0.67 2.04 -0.93 -1.69 117.51 118.17 1noi h ILE 403 Ca 0.27 -0.48 -0.11 0.00 1.00 0.00 0.00 64.86 65.54 1noi h ILE 403 Cb 0.03 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1noi h ILE 403 CO -0.04 0.22 -0.21 1.88 0.00 0.00 0.00 178.15 180.00 1noi h TYR 404 N 1.01 0.80 -0.21 1.37 0.05 -0.78 -1.03 116.97 118.18 1noi h TYR 404 Ca 0.26 -0.17 -0.20 0.00 0.05 0.00 0.00 58.73 58.67 1noi h TYR 404 Cb -0.01 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 37.53 1noi h TYR 404 CO 0.00 0.86 -0.66 1.49 -1.05 0.00 0.00 178.16 178.81 1noi h GLU 405 N 0.63 0.79 -0.19 4.88 4.57 -0.84 -0.53 114.58 123.88 1noi h GLU 405 Ca 0.09 -0.57 0.02 0.00 -1.18 0.00 0.00 59.36 57.72 1noi h GLU 405 Cb 0.69 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.36 1noi h GLU 405 CO 0.05 1.19 0.06 0.82 -1.18 0.00 0.00 179.01 179.96 1noi h ILE 406 N 0.58 0.95 0.26 2.32 2.04 -1.31 -1.40 117.51 120.96 1noi h ILE 406 Ca -0.02 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1noi h ILE 406 Cb 1.27 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1noi h ILE 406 CO 0.14 0.03 -0.13 -1.13 0.00 0.00 0.00 178.15 177.06 1noi h ASN 407 N 0.16 -0.30 -0.10 1.72 -1.24 -1.12 -0.10 115.58 114.60 1noi h ASN 407 Ca 0.08 -0.06 0.01 0.00 0.71 0.00 0.00 56.30 57.04 1noi h ASN 407 Cb 0.05 0.08 -0.02 0.00 0.73 0.00 0.00 38.32 39.16 1noi h ASN 407 CO -0.09 -0.13 -0.11 -0.61 -1.29 0.00 0.00 177.43 175.20 1noi h GLN 408 N -0.45 -0.07 -0.93 6.67 4.15 -1.01 -0.98 115.11 122.50 1noi h GLN 408 Ca -0.04 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.46 1noi h GLN 408 Cb 0.34 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.98 1noi h GLN 408 CO 0.06 -0.05 0.58 0.00 -1.93 0.00 0.00 178.83 177.50 1noi h ARG 409 N -0.07 1.02 -0.73 1.69 3.08 -1.20 -1.12 114.38 117.05 1noi h ARG 409 Ca 0.02 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.05 1noi h ARG 409 Cb 0.12 -0.23 -0.05 0.00 0.08 0.00 0.00 29.97 29.89 1noi h ARG 409 CO -0.13 0.68 0.44 0.35 -1.07 0.00 0.00 179.97 180.24 1noi h PHE 410 N 1.05 0.82 0.00 3.04 3.57 -0.80 -2.50 116.94 122.13 1noi h PHE 410 Ca 0.41 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.93 1noi h PHE 410 Cb 0.19 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.67 1noi h PHE 410 CO -0.02 0.44 0.00 1.28 -2.23 0.00 0.00 178.31 177.78 1noi n LEU 411 N -4.68 0.75 0.02 0.59 4.77 -0.39 -1.45 117.00 116.60 1noi n LEU 411 Ca 0.09 0.64 -0.10 0.00 -0.03 0.00 0.00 56.01 56.60 1noi n LEU 411 Cb 0.13 -0.48 0.03 0.00 -2.33 0.00 0.00 43.42 40.77 1noi n LEU 411 CO 0.32 -0.42 0.41 0.78 -1.33 0.00 0.00 177.39 177.14 1noi h ASN 412 N 0.00 0.60 0.32 -1.43 -0.26 -1.06 -1.49 115.58 112.26 1noi h ASN 412 Ca 0.00 -0.35 -0.02 0.00 -0.56 0.00 0.00 56.30 55.37 1noi h ASN 412 Cb 0.52 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.60 1noi h ASN 412 CO 0.00 1.08 -0.15 0.03 -1.06 0.00 0.00 177.43 177.33 1noi h ARG 413 N 0.38 -0.42 -0.66 0.81 3.08 -1.06 -1.47 114.38 115.05 1noi h ARG 413 Ca -0.01 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1noi h ARG 413 Cb 1.20 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.32 1noi h ARG 413 CO 0.12 -0.25 0.38 0.28 -1.07 0.00 0.00 179.97 179.43 1noi h VAL 414 N -0.47 1.20 -0.67 2.04 2.07 -1.52 -2.04 116.25 116.85 1noi h VAL 414 Ca -0.04 -0.46 0.05 0.00 0.82 0.00 0.00 66.70 67.07 1noi h VAL 414 Cb 0.36 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 1noi h VAL 414 CO 0.07 0.21 0.39 0.00 0.02 0.00 0.00 177.57 178.26 1noi h ALA 415 N 1.19 0.89 -0.14 1.67 0.00 -1.13 -0.22 119.26 121.52 1noi h ALA 415 Ca 0.23 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1noi h ALA 415 Cb -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1noi h ALA 415 CO -0.04 0.10 -0.23 0.00 0.00 0.00 0.00 179.25 179.08 1noi h ALA 416 N 1.32 1.36 0.00 0.00 0.00 -0.94 -2.68 119.26 118.32 1noi h ALA 416 Ca 0.29 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1noi h ALA 416 Cb 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1noi h ALA 416 CO -0.15 0.44 -1.33 0.00 0.00 0.00 0.00 179.25 178.22 1noi n ALA 417 N -2.48 2.76 -3.22 0.00 0.00 -0.80 -4.50 120.51 112.27 1noi n ALA 417 Ca -0.01 -0.35 -0.24 0.00 0.00 0.00 0.00 53.44 52.84 1noi n ALA 417 Cb 0.35 -0.97 -0.07 0.00 0.00 0.00 0.00 19.45 18.76 1noi n ALA 417 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1noi n PHE 418 N -2.42 0.60 -2.18 0.00 3.72 -0.14 -5.06 117.46 111.98 1noi n PHE 418 Ca -0.01 -3.72 -0.42 0.00 -0.05 0.00 0.00 57.45 53.25 1noi n PHE 418 Cb 0.54 -0.40 -0.03 0.00 -0.94 0.00 0.00 39.48 38.64 1noi n PHE 418 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1noi s PRO 419 N -1.66 4.32 0.00 -1.08 0.02 -1.01 -1.45 135.00 134.13 1noi s PRO 419 Ca 0.37 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.46 1noi s PRO 419 Cb 0.19 -3.25 0.00 0.00 0.02 0.00 0.00 34.50 31.47 1noi s PRO 419 CO -0.09 -0.43 0.00 0.41 -0.33 0.00 0.00 177.00 176.56 1noi n GLY 420 N 3.44 3.21 3.56 0.52 0.00 -1.26 -4.95 105.19 109.71 1noi n GLY 420 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1noi n GLY 420 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1noi s ASP 421 N -1.03 6.32 0.26 1.61 -1.08 -0.53 -4.76 116.67 117.47 1noi s ASP 421 Ca 0.00 -1.32 0.12 0.00 -0.52 0.00 0.00 52.55 50.83 1noi s ASP 421 Cb 0.00 -2.57 0.27 0.00 -1.46 0.00 0.00 42.92 39.17 1noi s ASP 421 CO 0.00 -1.68 1.55 0.58 0.52 0.00 0.00 175.17 176.14 1noi h VAL 422 N 6.84 1.30 -0.00 1.11 2.07 -1.92 -3.08 116.25 122.56 1noi h VAL 422 Ca 0.17 -2.28 -0.18 0.00 0.82 0.00 0.00 66.70 65.23 1noi h VAL 422 Cb 1.01 2.28 -0.02 0.00 -1.52 0.00 0.00 31.29 33.05 1noi h VAL 422 CO 1.40 0.62 -0.83 -0.78 0.02 0.00 0.00 177.57 177.99 1noi h ASP 423 N 0.00 0.15 -0.00 0.57 3.58 -1.99 -2.93 116.42 115.79 1noi h ASP 423 Ca -0.01 -0.12 -0.15 0.00 0.42 0.00 0.00 57.03 57.17 1noi h ASP 423 Cb 1.23 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.23 1noi h ASP 423 CO 0.08 0.91 -0.49 0.08 -2.88 0.00 0.00 179.24 176.95 1noi h ARG 424 N 0.07 0.56 -0.98 0.28 0.11 -1.94 0.79 114.38 113.27 1noi h ARG 424 Ca -0.03 -0.33 0.05 0.00 0.10 0.00 0.00 59.98 59.77 1noi h ARG 424 Cb 1.45 0.03 -0.06 0.00 1.11 0.00 0.00 29.97 32.50 1noi h ARG 424 CO 0.12 0.93 0.64 -0.07 0.10 0.00 0.00 179.97 181.68 1noi h LEU 425 N 0.45 1.05 0.00 0.08 3.38 -1.46 -1.43 115.31 117.38 1noi h LEU 425 Ca 0.02 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1noi h LEU 425 Cb 1.02 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1noi h LEU 425 CO 0.09 0.70 -0.28 0.08 0.09 0.00 0.00 178.44 179.13 1noi h ARG 426 N 1.21 0.00 0.00 1.13 -0.00 -1.19 -3.06 114.38 112.47 1noi h ARG 426 Ca 0.40 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 60.33 1noi h ARG 426 Cb 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.02 1noi h ARG 426 CO -0.14 0.21 -0.24 0.00 -0.00 0.00 0.00 179.97 179.80 1noi h ARG 427 N 0.00 0.00 0.00 0.08 3.08 -0.28 -3.31 114.38 113.94 1noi h ARG 427 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1noi h ARG 427 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1noi h ARG 427 CO 0.03 0.24 -1.52 -1.33 -1.07 0.00 0.00 179.97 176.32 1noi n MET 428 N -3.37 0.53 -1.66 0.04 2.81 -0.59 -4.98 117.12 109.89 1noi n MET 428 Ca 0.00 -0.08 -0.40 0.00 -1.81 0.00 0.00 57.70 55.42 1noi n MET 428 Cb 0.46 -1.60 0.03 0.00 -0.71 0.00 0.00 33.22 31.40 1noi n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1noi n SER 429 N -2.24 1.74 0.10 7.83 2.88 -1.16 -4.91 113.62 117.86 1noi n SER 429 Ca -0.01 0.97 -0.04 0.00 -1.33 0.00 0.00 58.87 58.46 1noi n SER 429 Cb 0.52 -1.45 0.04 0.00 -0.75 0.00 0.00 64.21 62.57 1noi n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1noi h LEU 430 N 1.33 0.00 -9.01 2.46 3.38 -1.92 -3.43 115.31 108.13 1noi h LEU 430 Ca -0.48 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 56.88 1noi h LEU 430 Cb 1.33 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.95 1noi h LEU 430 CO 0.56 0.78 -0.08 -0.69 0.09 0.00 0.00 178.44 179.10 1noi s VAL 431 N -3.18 5.11 -0.13 1.22 1.01 -1.26 -1.38 120.40 121.78 1noi s VAL 431 Ca -0.00 0.82 -0.07 0.00 0.00 0.00 0.00 61.98 62.73 1noi s VAL 431 Cb 0.11 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1noi s VAL 431 CO 0.79 0.13 0.12 -1.61 0.00 0.00 0.00 175.10 174.52 1noi s GLU 432 N 2.06 3.55 0.10 2.72 2.02 0.25 -4.97 118.70 124.43 1noi s GLU 432 Ca 0.20 -0.19 0.04 0.00 0.02 0.00 0.00 54.97 55.04 1noi s GLU 432 Cb -0.16 -3.18 -0.04 0.00 0.10 0.00 0.00 34.13 30.85 1noi s GLU 432 CO 0.09 0.65 0.04 -1.21 0.02 0.00 0.00 175.26 174.86 1noi s GLU 433 N -0.68 2.69 0.00 1.61 0.41 -1.26 -1.55 118.70 119.91 1noi s GLU 433 Ca 0.13 -0.81 0.00 0.00 -0.41 0.00 0.00 54.97 53.88 1noi s GLU 433 Cb -0.12 -2.60 0.00 0.00 -1.78 0.00 0.00 34.13 29.63 1noi s GLU 433 CO 0.03 0.54 0.00 0.41 -0.49 0.00 0.00 175.26 175.74 1noi n GLY 434 N 0.39 -0.74 3.55 -1.39 0.00 -1.26 -4.94 105.19 100.80 1noi n GLY 434 Ca -0.10 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.15 1noi n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1noi s ALA 435 N -1.00 2.63 0.00 4.61 0.00 -1.26 -4.51 121.76 122.23 1noi s ALA 435 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.42 1noi s ALA 435 Cb 0.00 -4.35 0.00 0.00 0.00 0.00 0.00 23.12 18.77 1noi s ALA 435 CO 0.00 -3.51 0.00 1.55 0.00 0.00 0.00 175.76 173.80 1noi n VAL 436 N 6.67 -1.37 -2.64 0.00 3.14 -1.26 -5.04 118.33 117.83 1noi n VAL 436 Ca 0.14 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 61.12 1noi n VAL 436 Cb 0.50 -1.37 -0.05 0.00 -1.06 0.00 0.00 33.84 31.86 1noi n VAL 436 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1noi s LYS 437 N -3.37 4.71 0.06 1.45 2.20 -1.26 -4.60 119.74 118.93 1noi s LYS 437 Ca 0.00 1.58 0.02 0.00 -0.36 0.00 0.00 55.97 57.21 1noi s LYS 437 Cb 0.00 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 33.00 1noi s LYS 437 CO 0.00 0.27 -0.07 1.03 -0.36 0.00 0.00 175.35 176.22 1noi s ARG 438 N -0.65 0.60 -0.20 4.03 0.52 -0.60 -1.10 118.95 121.55 1noi s ARG 438 Ca 0.45 -0.92 -0.10 0.00 -0.52 0.00 0.00 55.73 54.64 1noi s ARG 438 Cb -0.27 -0.22 -0.05 0.00 0.52 0.00 0.00 34.95 34.93 1noi s ARG 438 CO 0.33 0.02 0.13 0.42 0.02 0.00 0.00 175.30 176.22 1noi s ILE 439 N -2.10 5.31 -0.70 1.52 -1.09 0.47 -0.58 121.20 124.04 1noi s ILE 439 Ca -0.04 0.16 -0.19 0.00 -2.23 0.00 0.00 60.65 58.34 1noi s ILE 439 Cb -0.05 -3.43 0.11 0.00 -1.58 0.00 0.00 42.46 37.51 1noi s ILE 439 CO -0.02 0.43 0.87 0.21 -1.23 0.00 0.00 174.94 175.20 1noi s ASN 440 N 0.49 6.31 0.57 3.58 3.84 -0.48 -1.14 114.94 128.11 1noi s ASN 440 Ca 0.07 -1.53 0.27 0.00 0.21 0.00 0.00 52.86 51.88 1noi s ASN 440 Cb -0.12 -2.35 1.51 0.00 -0.55 0.00 0.00 41.25 39.75 1noi s ASN 440 CO -0.01 -1.15 2.02 0.24 -2.79 0.00 0.00 177.10 175.41 1noi h MET 441 N 9.12 0.00 0.00 0.43 2.86 -1.00 0.44 114.93 126.78 1noi h MET 441 Ca -0.17 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.31 1noi h MET 441 Cb 1.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 1noi h MET 441 CO 1.10 0.00 -0.75 0.00 1.06 0.00 0.00 176.91 178.32 1noi h ALA 442 N 1.70 0.67 -0.27 6.32 0.00 -1.92 -1.93 119.26 123.83 1noi h ALA 442 Ca 0.17 -0.69 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 1noi h ALA 442 Cb 0.81 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1noi h ALA 442 CO -0.00 0.94 -0.09 0.45 0.00 0.00 0.00 179.25 180.55 1noi h HIS 443 N 0.00 0.46 0.17 0.00 3.86 -1.27 -1.27 115.15 117.09 1noi h HIS 443 Ca -0.01 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 1noi h HIS 443 Cb 1.41 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.75 1noi h HIS 443 CO 0.00 0.52 -0.08 1.25 0.86 0.00 0.00 177.93 180.48 1noi h LEU 444 N 0.41 -0.19 -0.60 2.43 6.46 -1.23 -0.95 115.31 121.64 1noi h LEU 444 Ca 0.08 -0.08 0.05 0.00 -0.12 0.00 0.00 57.88 57.81 1noi h LEU 444 Cb 0.42 0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 40.35 1noi h LEU 444 CO 0.02 -0.04 0.33 0.00 -0.62 0.00 0.00 178.44 178.13 1noi h ILE 446 N 0.62 1.29 0.00 0.00 2.04 -1.17 -2.02 117.51 118.27 1noi h ILE 446 Ca 0.26 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 1noi h ILE 446 Cb 0.14 1.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1noi h ILE 446 CO -0.16 0.34 -0.03 0.00 0.00 0.00 0.00 178.15 178.30 1noi h ALA 447 N 0.73 1.17 0.00 1.87 0.00 -0.52 -2.84 119.26 119.68 1noi h ALA 447 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1noi h ALA 447 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1noi h ALA 447 CO 0.03 0.04 -0.04 0.41 0.00 0.00 0.00 179.25 179.69 1noi n GLY 448 N -0.83 4.19 3.62 0.00 0.00 -0.35 -5.01 105.19 106.80 1noi n GLY 448 Ca -0.02 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 1noi n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1noi s SER 449 N -2.44 4.57 0.09 1.61 0.01 -0.77 -4.09 113.70 112.67 1noi s SER 449 Ca 0.25 -0.39 0.24 0.00 1.31 0.00 0.00 55.95 57.36 1noi s SER 449 Cb 0.22 -0.92 0.40 0.00 0.21 0.00 0.00 66.02 65.93 1noi s SER 449 CO 0.02 0.14 1.36 0.00 0.41 0.00 0.00 173.24 175.17 1noi n HIS 450 N 0.32 0.42 -3.85 2.43 -0.00 -0.24 -4.89 115.22 109.41 1noi n HIS 450 Ca -0.11 0.12 -0.12 0.00 -0.00 0.00 0.00 57.72 57.61 1noi n HIS 450 Cb 0.54 -0.56 -0.12 0.00 -0.00 0.00 0.00 29.99 29.84 1noi n HIS 450 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1noi s ALA 451 N -3.13 -0.30 -0.05 1.59 0.00 -1.26 -4.55 121.76 114.06 1noi s ALA 451 Ca 0.07 0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.25 1noi s ALA 451 Cb 0.14 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.16 1noi s ALA 451 CO 0.71 -0.10 -0.09 0.08 0.00 0.00 0.00 175.76 176.36 1noi s VAL 452 N -0.36 0.90 0.06 0.00 1.01 0.36 -2.07 120.40 120.31 1noi s VAL 452 Ca -0.04 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1noi s VAL 452 Cb -0.03 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 1noi s VAL 452 CO 0.00 0.30 -0.08 0.54 0.00 0.00 0.00 175.10 175.87 1noi s ASN 453 N 0.67 1.01 0.51 3.32 4.22 -0.72 -1.51 114.94 122.44 1noi s ASN 453 Ca -0.12 -0.70 0.00 0.00 -2.14 0.00 0.00 52.86 49.90 1noi s ASN 453 Cb -0.14 0.05 0.06 0.00 1.28 0.00 0.00 41.25 42.49 1noi s ASN 453 CO 0.02 -0.28 0.40 0.61 -2.04 0.00 0.00 177.10 175.81 1noi n GLY 454 N 0.96 0.80 0.02 0.45 0.00 -1.09 -0.39 105.19 105.93 1noi n GLY 454 Ca -0.19 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.84 1noi n GLY 454 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1noi n VAL 455 N -1.94 0.60 -3.64 1.61 3.14 -1.26 -0.86 118.33 115.98 1noi n VAL 455 Ca 0.07 -0.62 -0.03 0.00 -2.96 0.00 0.00 64.34 60.80 1noi n VAL 455 Cb 0.24 0.67 -0.05 0.00 -1.06 0.00 0.00 33.84 33.64 1noi n VAL 455 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1noi s ALA 456 N -0.64 -2.11 0.20 1.55 0.00 -1.26 -2.10 121.76 117.40 1noi s ALA 456 Ca 0.01 1.84 -0.11 0.00 0.00 0.00 0.00 51.96 53.70 1noi s ALA 456 Cb 0.01 -1.47 0.18 0.00 0.00 0.00 0.00 23.12 21.84 1noi s ALA 456 CO 0.00 -0.23 1.84 -0.09 0.00 0.00 0.00 175.76 177.28 1noi h ARG 457 N 2.26 0.77 -0.41 0.00 2.43 -1.90 0.49 114.38 118.02 1noi h ARG 457 Ca -0.12 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 58.86 1noi h ARG 457 Cb 1.19 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 1noi h ARG 457 CO 0.22 0.51 -0.33 -0.84 -1.51 0.00 0.00 179.97 178.02 1noi h ILE 458 N 0.79 1.27 0.01 1.20 3.07 -1.90 -1.06 117.51 120.89 1noi h ILE 458 Ca 0.27 -1.50 -0.00 0.00 1.55 0.00 0.00 64.86 65.18 1noi h ILE 458 Cb 0.04 1.30 0.00 0.00 -0.27 0.00 0.00 36.82 37.89 1noi h ILE 458 CO -0.11 0.51 -0.01 -0.74 -1.05 0.00 0.00 178.15 176.75 1noi h HIS 459 N 0.79 -0.02 -0.28 0.16 2.76 -1.61 -2.41 115.15 114.54 1noi h HIS 459 Ca 0.08 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.21 1noi h HIS 459 Cb 0.92 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.87 1noi h HIS 459 CO 0.06 -0.00 0.01 0.77 -1.30 0.00 0.00 177.93 177.46 1noi h SER 460 N -0.02 0.39 -0.13 3.26 0.02 -0.57 -2.72 113.55 113.78 1noi h SER 460 Ca -0.00 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1noi h SER 460 Cb 0.02 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1noi h SER 460 CO 0.00 0.45 0.03 -0.33 -1.14 0.00 0.00 176.83 175.84 1noi h GLU 461 N 0.41 0.21 0.00 3.45 4.39 -0.79 -2.12 114.58 120.13 1noi h GLU 461 Ca 0.09 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1noi h GLU 461 Cb 0.26 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1noi h GLU 461 CO 0.01 0.38 0.00 0.44 -1.16 0.00 0.00 179.01 178.68 1noi n ILE 462 N -4.84 0.97 -0.05 3.13 -5.35 -0.94 -1.31 119.36 110.97 1noi n ILE 462 Ca -0.05 0.34 -0.13 0.00 -0.27 0.00 0.00 62.75 62.64 1noi n ILE 462 Cb 0.16 -1.25 -0.07 0.00 -1.74 0.00 0.00 39.64 36.74 1noi n ILE 462 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1noi h LEU 463 N 0.00 0.33 -1.21 7.28 3.38 -1.06 -1.48 115.31 122.54 1noi h LEU 463 Ca 0.00 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 57.53 1noi h LEU 463 Cb 0.26 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1noi h LEU 463 CO 0.00 0.70 0.52 0.11 0.09 0.00 0.00 178.44 179.86 1noi h LYS 464 N -0.05 1.04 0.11 1.13 1.57 -1.23 0.15 116.57 119.30 1noi h LYS 464 Ca 0.03 -0.07 -0.32 0.00 -1.87 0.00 0.00 60.65 58.42 1noi h LYS 464 Cb 0.59 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1noi h LYS 464 CO 0.03 0.70 -1.67 0.87 -0.57 0.00 0.00 179.45 178.80 1noi h LYS 465 N 1.07 0.24 0.00 3.15 1.57 -1.14 -3.20 116.57 118.27 1noi h LYS 465 Ca 0.29 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1noi h LYS 465 Cb -0.11 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1noi h LYS 465 CO -0.06 1.08 0.00 0.25 -0.57 0.00 0.00 179.45 180.15 1noi n THR 466 N -3.43 0.00 -0.33 -0.16 -2.24 -0.57 -4.63 114.28 102.93 1noi n THR 466 Ca -0.20 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.75 1noi n THR 466 Cb 1.05 -0.03 0.34 0.00 -2.10 0.00 0.00 70.33 69.59 1noi n THR 466 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1noi n ILE 467 N 0.00 -0.40 -1.35 2.28 5.41 -1.23 -1.56 119.36 122.51 1noi n ILE 467 Ca 0.00 2.06 0.08 0.00 1.00 0.00 0.00 62.75 65.89 1noi n ILE 467 Cb 0.00 -3.09 0.14 0.00 -0.71 0.00 0.00 39.64 35.99 1noi n ILE 467 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1noi n PHE 468 N -5.36 0.00 0.27 1.39 3.72 0.52 -4.83 117.46 113.17 1noi n PHE 468 Ca 0.26 -1.03 0.12 0.00 -0.05 0.00 0.00 57.45 56.75 1noi n PHE 468 Cb 0.85 -0.17 0.78 0.00 -0.94 0.00 0.00 39.48 40.00 1noi n PHE 468 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1noi h LYS 469 N 0.31 0.00 -0.59 -1.08 2.10 -1.28 -0.35 116.57 115.68 1noi h LYS 469 Ca -0.01 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.54 1noi h LYS 469 Cb 1.07 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.38 1noi h LYS 469 CO 0.00 0.05 -0.03 -0.44 -2.00 0.00 0.00 179.45 177.03 1noi h ASP 470 N 0.00 1.05 -0.10 7.07 3.32 -1.87 0.18 116.42 126.07 1noi h ASP 470 Ca -0.00 -0.32 -0.18 0.00 0.02 0.00 0.00 57.03 56.55 1noi h ASP 470 Cb 0.11 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 1noi h ASP 470 CO 0.01 1.12 -0.58 -0.26 -1.72 0.00 0.00 179.24 177.80 1noi h PHE 471 N 0.96 0.88 -0.68 4.55 0.04 -1.74 -1.51 116.94 119.44 1noi h PHE 471 Ca 0.16 -0.33 -0.05 0.00 2.80 0.00 0.00 57.97 60.55 1noi h PHE 471 Cb 0.60 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.56 1noi h PHE 471 CO 0.04 1.11 0.22 -0.92 -0.60 0.00 0.00 178.31 178.16 1noi h TYR 472 N 0.53 1.06 0.00 -0.55 3.20 -0.58 0.21 116.97 120.84 1noi h TYR 472 Ca 0.00 -0.09 -0.13 0.00 3.14 0.00 0.00 58.73 61.65 1noi h TYR 472 Cb 1.16 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 39.10 1noi h TYR 472 CO 0.06 0.84 -0.62 0.93 -1.64 0.00 0.00 178.16 177.74 1noi h GLU 473 N 1.00 0.00 -0.03 1.82 5.08 -0.41 -1.66 114.58 120.38 1noi h GLU 473 Ca 0.22 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 1noi h GLU 473 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1noi h GLU 473 CO -0.01 0.62 -0.12 1.25 -1.00 0.00 0.00 179.01 179.75 1noi h LEU 474 N 0.00 0.15 -6.46 1.33 6.46 -0.84 -3.43 115.31 112.52 1noi h LEU 474 Ca -0.01 -0.66 -0.59 0.00 -0.12 0.00 0.00 57.88 56.51 1noi h LEU 474 Cb 1.11 -0.04 -0.38 0.00 -0.73 0.00 0.00 40.66 40.61 1noi h LEU 474 CO 0.08 0.78 -0.92 -1.61 -0.62 0.00 0.00 178.44 176.15 1noi s GLU 475 N -3.59 0.90 0.23 1.25 2.02 0.70 -4.97 118.70 115.24 1noi s GLU 475 Ca -0.16 -1.98 -0.05 0.00 0.02 0.00 0.00 54.97 52.79 1noi s GLU 475 Cb 0.01 -1.51 0.22 0.00 0.10 0.00 0.00 34.13 32.96 1noi s GLU 475 CO 0.72 -1.34 1.73 -1.35 0.02 0.00 0.00 175.26 175.04 1noi h PRO 476 N 5.97 0.97 -0.75 0.39 0.11 -1.52 -2.44 132.00 134.74 1noi h PRO 476 Ca 0.21 -0.25 0.22 0.00 0.11 0.00 0.00 66.00 66.28 1noi h PRO 476 Cb 0.92 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.88 1noi h PRO 476 CO 0.36 0.91 0.58 1.12 -0.21 0.00 0.00 178.00 180.77 1noi h HIS 477 N 0.91 0.00 0.00 0.65 2.07 -1.93 0.53 115.15 117.38 1noi h HIS 477 Ca 0.18 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.63 1noi h HIS 477 Cb 0.43 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.40 1noi h HIS 477 CO 0.03 0.00 -0.33 0.87 -3.07 0.00 0.00 177.93 175.42 1noi h LYS 478 N 0.00 0.00 -5.77 5.12 1.57 -1.67 -3.45 116.57 112.36 1noi h LYS 478 Ca 0.35 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.56 1noi h LYS 478 Cb 1.51 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.74 1noi h LYS 478 CO -0.00 0.33 0.00 -0.06 -0.57 0.00 0.00 179.45 179.15 1noi s PHE 479 N -3.82 3.48 0.29 -1.35 0.40 0.18 -0.49 117.98 116.67 1noi s PHE 479 Ca -0.01 0.98 0.03 0.00 -0.60 0.00 0.00 56.93 57.34 1noi s PHE 479 Cb 0.12 -2.70 -0.04 0.00 0.51 0.00 0.00 43.02 40.91 1noi s PHE 479 CO 0.68 0.03 0.19 -0.65 0.70 0.00 0.00 175.22 176.16 1noi s GLN 480 N 1.13 1.54 0.01 0.44 -0.21 -0.57 -4.96 119.66 117.04 1noi s GLN 480 Ca 0.30 -1.87 0.04 0.00 0.02 0.00 0.00 55.36 53.84 1noi s GLN 480 Cb -0.16 0.11 -0.02 0.00 1.00 0.00 0.00 33.01 33.94 1noi s GLN 480 CO 0.12 -0.49 -0.13 1.21 -2.12 0.00 0.00 175.29 173.88 1noi s ASN 481 N -3.32 1.49 -0.36 5.90 3.84 -1.26 -2.67 114.94 118.56 1noi s ASN 481 Ca 0.38 -0.34 0.00 0.00 0.21 0.00 0.00 52.86 53.12 1noi s ASN 481 Cb 0.05 -0.13 0.14 0.00 -0.55 0.00 0.00 41.25 40.76 1noi s ASN 481 CO 0.19 0.08 0.23 -0.54 -2.79 0.00 0.00 177.10 174.27 1noi s LYS 482 N -0.71 0.57 0.28 0.43 -0.14 -0.04 -4.92 119.74 115.20 1noi s LYS 482 Ca 0.03 -1.34 -0.30 0.00 -1.36 0.00 0.00 55.97 52.99 1noi s LYS 482 Cb -0.06 -1.26 -0.12 0.00 -1.68 0.00 0.00 37.83 34.70 1noi s LYS 482 CO 0.00 -1.22 1.47 2.41 -0.76 0.00 0.00 175.35 177.25 1noi n THR 483 N 3.98 1.13 -0.49 2.17 -1.04 -1.26 -4.27 114.28 114.51 1noi n THR 483 Ca 0.13 -0.28 -0.28 0.00 -2.04 0.00 0.00 64.05 61.57 1noi n THR 483 Cb 0.38 -1.69 0.26 0.00 -1.82 0.00 0.00 70.33 67.46 1noi n THR 483 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1noi s ASN 484 N 0.29 0.84 0.21 8.00 0.01 -0.89 -4.59 114.94 118.81 1noi s ASN 484 Ca 0.65 1.57 -0.17 0.00 -0.71 0.00 0.00 52.86 54.19 1noi s ASN 484 Cb -0.57 -2.35 0.02 0.00 0.41 0.00 0.00 41.25 38.76 1noi s ASN 484 CO 0.51 -4.30 0.55 -0.83 -1.51 0.00 0.00 177.10 171.52 1noi s GLY 485 N -2.43 -0.02 0.18 0.66 0.00 -1.26 -4.85 107.32 99.60 1noi s GLY 485 Ca 0.69 -0.30 0.11 0.00 0.00 0.00 0.00 44.72 45.22 1noi s GLY 485 CO 0.65 -0.27 -0.23 -1.50 0.00 0.00 0.00 173.10 171.74 1noi s ILE 486 N -3.90 2.42 -0.16 0.90 1.10 -0.56 -4.47 121.20 116.53 1noi s ILE 486 Ca 0.11 -1.96 -0.13 0.00 -0.51 0.00 0.00 60.65 58.17 1noi s ILE 486 Cb -0.02 -2.15 -0.05 0.00 0.15 0.00 0.00 42.46 40.40 1noi s ILE 486 CO -0.00 -0.08 0.25 0.28 -2.11 0.00 0.00 174.94 173.27 1noi s THR 487 N -1.58 5.33 -0.83 4.00 -1.32 -1.26 0.19 115.64 120.17 1noi s THR 487 Ca 0.20 0.46 0.22 0.00 -1.21 0.00 0.00 61.69 61.35 1noi s THR 487 Cb -0.08 -3.58 0.20 0.00 -1.51 0.00 0.00 72.50 67.53 1noi s THR 487 CO 0.10 0.42 1.67 -0.81 -2.21 0.00 0.00 174.62 173.79 1noi n PRO 488 N 3.39 0.09 0.06 7.08 -0.04 -1.26 -1.94 135.00 142.37 1noi n PRO 488 Ca -0.13 0.24 -0.03 0.00 -0.04 0.00 0.00 63.50 63.54 1noi n PRO 488 Cb 0.52 -1.64 -0.01 0.00 -0.04 0.00 0.00 33.50 32.33 1noi n PRO 488 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1noi h ARG 489 N 0.00 -0.18 -0.73 0.54 -0.00 -1.93 -2.44 114.38 109.64 1noi h ARG 489 Ca 0.00 0.01 -0.04 0.00 -0.50 0.00 0.00 59.98 59.45 1noi h ARG 489 Cb 0.40 0.04 -0.03 0.00 0.00 0.00 0.00 29.97 30.38 1noi h ARG 489 CO 0.00 -0.12 0.30 -0.09 0.00 0.00 0.00 179.97 180.06 1noi h ARG 490 N -0.41 1.09 -0.63 0.04 2.43 -1.96 -0.84 114.38 114.10 1noi h ARG 490 Ca -0.02 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1noi h ARG 490 Cb 0.14 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1noi h ARG 490 CO 0.03 0.89 0.00 0.91 -1.51 0.00 0.00 179.97 180.29 1noi n TRP 491 N -4.35 1.16 0.17 2.20 7.02 -0.82 -1.97 117.44 120.85 1noi n TRP 491 Ca 0.06 -0.45 0.00 0.00 -1.02 0.00 0.00 57.50 56.09 1noi n TRP 491 Cb 0.17 -0.22 0.00 0.00 -2.42 0.00 0.00 31.31 28.84 1noi n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 1noi n LEU 492 N 0.72 -2.13 0.16 -0.99 0.00 -1.19 -4.79 117.00 108.78 1noi n LEU 492 Ca 0.19 0.63 -0.14 0.00 0.00 0.00 0.00 56.01 56.69 1noi n LEU 492 Cb 0.72 2.10 -0.08 0.00 0.00 0.00 0.00 43.42 46.17 1noi n LEU 492 CO 0.19 -0.22 0.63 0.58 0.00 0.00 0.00 177.39 178.57 1noi h VAL 493 N 0.00 0.73 -0.03 1.96 2.07 -1.12 0.65 116.25 120.52 1noi h VAL 493 Ca 0.00 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1noi h VAL 493 Cb 0.00 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1noi h VAL 493 CO 0.00 0.09 -0.05 0.25 0.02 0.00 0.00 177.57 177.88 1noi h LEU 494 N -0.63 0.10 0.00 2.57 6.46 -1.28 -3.16 115.31 119.37 1noi h LEU 494 Ca -0.04 -0.55 0.00 0.00 -0.12 0.00 0.00 57.88 57.17 1noi h LEU 494 Cb 0.45 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.35 1noi h LEU 494 CO 0.07 0.62 -0.53 0.00 -0.62 0.00 0.00 178.44 177.98 1noi n ASN 496 N -2.44 1.42 -0.12 0.00 2.85 0.22 -4.88 115.26 112.31 1noi n ASN 496 Ca 0.03 -3.12 0.22 0.00 -0.11 0.00 0.00 54.58 51.60 1noi n ASN 496 Cb 0.48 -0.61 0.64 0.00 1.24 0.00 0.00 39.78 41.53 1noi n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1noi h PRO 497 N 3.00 0.13 -0.56 1.20 0.13 -1.60 -0.56 132.00 133.74 1noi h PRO 497 Ca 0.10 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 65.13 1noi h PRO 497 Cb 0.90 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.98 1noi h PRO 497 CO 0.55 0.09 -0.00 0.78 -0.23 0.00 0.00 178.00 179.19 1noi h GLY 498 N 0.14 1.08 1.09 1.56 0.00 -1.92 -0.52 103.07 104.49 1noi h GLY 498 Ca 0.36 -0.80 -0.16 0.00 0.00 0.00 0.00 47.33 46.74 1noi h GLY 498 CO -0.05 0.73 -0.42 -2.00 0.00 0.00 0.00 176.54 174.81 1noi h LEU 499 N 0.88 0.92 -2.04 3.11 5.85 -1.55 -2.77 115.31 119.72 1noi h LEU 499 Ca 0.16 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1noi h LEU 499 Cb 0.55 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1noi h LEU 499 CO 0.03 1.23 0.00 0.00 -0.34 0.00 0.00 178.44 179.37 1noi h ALA 500 N 0.72 1.97 0.02 1.25 0.00 -1.00 -2.17 119.26 120.05 1noi h ALA 500 Ca 0.04 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1noi h ALA 500 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1noi h ALA 500 CO 0.10 -0.00 -0.19 1.49 0.00 0.00 0.00 179.25 180.65 1noi h GLU 501 N 0.00 0.09 0.00 0.00 4.81 -0.83 -1.80 114.58 116.85 1noi h GLU 501 Ca 0.00 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.05 1noi h GLU 501 Cb 0.00 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1noi h GLU 501 CO -0.00 0.97 -0.24 -0.84 -0.73 0.00 0.00 179.01 178.17 1noi h ILE 502 N -0.73 0.86 -0.03 2.32 3.07 -1.33 -0.94 117.51 120.74 1noi h ILE 502 Ca -0.03 -0.93 -0.01 0.00 1.55 0.00 0.00 64.86 65.44 1noi h ILE 502 Cb 1.06 1.55 -0.00 0.00 -0.27 0.00 0.00 36.82 39.16 1noi h ILE 502 CO 0.04 0.23 -0.04 0.40 -1.05 0.00 0.00 178.15 177.73 1noi h ILE 503 N 0.00 1.41 -0.99 0.16 2.04 -1.46 -3.17 117.51 115.49 1noi h ILE 503 Ca -0.00 -1.26 0.02 0.00 1.00 0.00 0.00 64.86 64.61 1noi h ILE 503 Cb 0.53 2.19 -0.05 0.00 -0.74 0.00 0.00 36.82 38.75 1noi h ILE 503 CO 0.03 0.34 0.66 0.00 0.00 0.00 0.00 178.15 179.18 1noi h ALA 504 N 0.50 1.27 -0.90 1.87 0.00 -1.05 -0.79 119.26 120.17 1noi h ALA 504 Ca 0.00 -0.06 0.22 0.00 0.00 0.00 0.00 54.91 55.07 1noi h ALA 504 Cb 0.57 -0.39 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1noi h ALA 504 CO 0.01 0.62 0.61 0.93 0.00 0.00 0.00 179.25 181.42 1noi h GLU 505 N 1.32 0.29 0.07 0.00 5.08 -1.21 0.13 114.58 120.26 1noi h GLU 505 Ca 0.37 -0.02 -0.34 0.00 -1.00 0.00 0.00 59.36 58.38 1noi h GLU 505 Cb -0.11 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 1noi h GLU 505 CO -0.09 0.19 -1.88 0.54 -1.00 0.00 0.00 179.01 176.77 1noi n ARG 506 N -4.46 0.69 -0.15 2.33 5.12 -0.86 -4.75 116.66 114.59 1noi n ARG 506 Ca 0.19 0.34 0.04 0.00 -1.93 0.00 0.00 57.85 56.49 1noi n ARG 506 Cb 0.77 -1.69 0.05 0.00 -1.16 0.00 0.00 32.46 30.44 1noi n ARG 506 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 1noi n ILE 507 N -3.76 0.93 -4.15 0.55 -5.35 -0.36 -5.11 119.36 102.11 1noi n ILE 507 Ca -0.35 -1.07 0.00 0.00 -0.27 0.00 0.00 62.75 61.06 1noi n ILE 507 Cb 0.93 0.30 0.00 0.00 -1.74 0.00 0.00 39.64 39.14 1noi n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1noi n GLY 508 N -0.65 -0.67 0.10 3.28 0.00 0.43 -4.53 105.19 103.15 1noi n GLY 508 Ca 0.06 -1.14 0.01 0.00 0.00 0.00 0.00 46.02 44.95 1noi n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1noi n GLU 509 N 0.00 1.94 0.09 1.61 1.02 -1.26 -3.97 120.64 120.06 1noi n GLU 509 Ca 0.00 -1.32 0.10 0.00 -0.02 0.00 0.00 57.16 55.93 1noi n GLU 509 Cb 0.00 -1.04 0.44 0.00 -0.02 0.00 0.00 31.44 30.81 1noi n GLU 509 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1noi n GLU 510 N -0.21 0.14 0.09 3.49 2.13 -1.26 -2.52 120.64 122.49 1noi n GLU 510 Ca 0.02 0.36 0.10 0.00 0.66 0.00 0.00 57.16 58.30 1noi n GLU 510 Cb 0.21 -1.75 0.43 0.00 0.27 0.00 0.00 31.44 30.60 1noi n GLU 510 CO 0.00 0.00 0.00 2.48 -0.41 0.00 0.00 177.13 179.20 1noi n TYR 511 N -2.01 0.54 0.16 4.31 0.18 -1.26 -2.08 117.16 117.01 1noi n TYR 511 Ca 0.03 0.22 0.02 0.00 1.88 0.00 0.00 57.90 60.05 1noi n TYR 511 Cb 0.22 -0.85 0.26 0.00 -0.38 0.00 0.00 39.34 38.59 1noi n TYR 511 CO 0.00 0.00 0.00 0.82 -2.08 0.00 0.00 176.86 175.60 1noi h ILE 512 N 0.00 1.17 -0.03 -3.48 2.04 -1.87 -3.08 117.51 112.25 1noi h ILE 512 Ca 0.00 -1.79 0.00 0.00 1.00 0.00 0.00 64.86 64.07 1noi h ILE 512 Cb 0.30 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1noi h ILE 512 CO 0.00 0.48 0.00 -1.54 0.00 0.00 0.00 178.15 177.09 1noi n SER 513 N -3.69 1.65 -3.61 1.72 3.41 -1.20 -4.60 113.62 107.30 1noi n SER 513 Ca -0.01 -1.52 -0.29 0.00 -0.26 0.00 0.00 58.87 56.80 1noi n SER 513 Cb 0.55 -0.02 -0.12 0.00 -0.26 0.00 0.00 64.21 64.36 1noi n SER 513 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1noi s ASP 514 N -0.57 3.17 0.50 4.04 -1.08 -0.88 -5.03 116.67 116.82 1noi s ASP 514 Ca 0.04 -2.71 0.30 0.00 -0.52 0.00 0.00 52.55 49.65 1noi s ASP 514 Cb 0.02 -0.82 0.98 0.00 -1.46 0.00 0.00 42.92 41.64 1noi s ASP 514 CO 0.03 -0.24 1.84 0.25 0.52 0.00 0.00 175.17 177.57 1noi h LEU 515 N 6.47 0.00 -2.38 -1.34 5.85 -1.83 -2.98 115.31 119.11 1noi h LEU 515 Ca 0.07 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1noi h LEU 515 Cb 0.92 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 1noi h LEU 515 CO 0.43 0.00 0.15 0.44 -0.34 0.00 0.00 178.44 179.12 1noi h ASP 516 N 0.00 0.00 0.00 1.25 3.32 -1.86 -2.11 116.42 117.02 1noi h ASP 516 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1noi h ASP 516 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1noi h ASP 516 CO 0.00 0.00 0.15 1.56 -1.72 0.00 0.00 179.24 179.23 1noi h GLN 517 N 0.00 0.00 0.00 3.56 4.20 -1.86 -1.42 115.11 119.59 1noi h GLN 517 Ca 0.05 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1noi h GLN 517 Cb 0.34 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 1noi h GLN 517 CO -0.00 0.00 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.05 1noi h LEU 518 N 0.00 0.00 -2.05 1.46 3.38 -1.62 -1.80 115.31 114.68 1noi h LEU 518 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1noi h LEU 518 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1noi h LEU 518 CO 0.00 0.04 0.33 0.03 0.09 0.00 0.00 178.44 178.93 1noi h ARG 519 N 0.00 0.00 0.00 1.13 3.08 -0.44 0.24 114.38 118.39 1noi h ARG 519 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1noi h ARG 519 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1noi h ARG 519 CO 0.01 0.00 0.00 0.87 -1.07 0.00 0.00 179.97 179.78 1noi h LYS 520 N 0.00 0.00 0.00 0.04 1.57 -1.57 -1.15 116.57 115.46 1noi h LYS 520 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1noi h LYS 520 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1noi h LYS 520 CO -0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 1noi n LEU 521 N -2.55 0.00 0.24 2.94 4.32 0.07 -3.00 117.00 119.02 1noi n LEU 521 Ca 0.01 0.40 0.11 0.00 -0.02 0.00 0.00 56.01 56.52 1noi n LEU 521 Cb 0.20 -0.40 0.54 0.00 -1.62 0.00 0.00 43.42 42.13 1noi n LEU 521 CO 0.20 -0.17 0.86 0.25 -1.22 0.00 0.00 177.39 177.31 1noi h LEU 522 N 0.00 0.00 -0.55 2.23 5.85 -1.41 0.17 115.31 121.61 1noi h LEU 522 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1noi h LEU 522 Cb 0.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1noi h LEU 522 CO 0.00 0.18 0.00 -1.20 -0.34 0.00 0.00 178.44 177.08 1noi n SER 523 N -3.38 0.57 -1.01 1.25 7.64 -1.16 -2.83 113.62 114.70 1noi n SER 523 Ca -0.00 0.63 0.09 0.00 1.01 0.00 0.00 58.87 60.60 1noi n SER 523 Cb 0.38 -0.76 0.23 0.00 -1.01 0.00 0.00 64.21 63.06 1noi n SER 523 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1noi n TYR 524 N -2.12 0.68 0.26 1.43 4.02 0.04 -4.56 117.16 116.92 1noi n TYR 524 Ca 0.03 -0.46 0.09 0.00 -0.01 0.00 0.00 57.90 57.55 1noi n TYR 524 Cb 0.23 -0.01 0.66 0.00 -0.02 0.00 0.00 39.34 40.20 1noi n TYR 524 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1noi h VAL 525 N 3.30 0.95 -0.60 -0.72 2.07 -1.52 -0.83 116.25 118.89 1noi h VAL 525 Ca 0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1noi h VAL 525 Cb 0.86 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1noi h VAL 525 CO 0.00 0.03 0.00 0.47 0.02 0.00 0.00 177.57 178.09 1noi n ASP 526 N -4.39 3.67 -4.59 0.57 8.00 -1.26 -4.79 116.55 113.75 1noi n ASP 526 Ca -0.03 -1.99 -0.42 0.00 0.71 0.00 0.00 54.79 53.06 1noi n ASP 526 Cb 0.12 -0.40 -0.05 0.00 -0.02 0.00 0.00 41.12 40.77 1noi n ASP 526 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1noi s ASP 527 N -1.07 6.59 0.26 -2.24 -1.08 -0.32 -4.92 116.67 113.88 1noi s ASP 527 Ca 0.42 0.42 -0.02 0.00 -0.52 0.00 0.00 52.55 52.85 1noi s ASP 527 Cb 0.22 -2.41 0.55 0.00 -1.46 0.00 0.00 42.92 39.82 1noi s ASP 527 CO 0.30 -0.75 1.68 -0.33 0.52 0.00 0.00 175.17 176.58 1noi h GLU 528 N 8.46 0.28 -0.51 4.34 4.39 -1.92 -0.23 114.58 129.38 1noi h GLU 528 Ca -0.24 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.33 1noi h GLU 528 Cb 1.09 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.66 1noi h GLU 528 CO 0.92 0.18 -0.13 0.00 -1.16 0.00 0.00 179.01 178.83 1noi h ALA 529 N 1.66 0.70 -0.20 3.43 0.00 -1.96 -1.97 119.26 120.92 1noi h ALA 529 Ca 0.46 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1noi h ALA 529 Cb 0.83 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1noi h ALA 529 CO -0.54 0.63 -0.01 0.35 0.00 0.00 0.00 179.25 179.67 1noi h PHE 530 N 0.85 0.39 -0.37 0.00 3.57 -1.57 0.45 116.94 120.27 1noi h PHE 530 Ca 0.13 -0.07 0.08 0.00 3.53 0.00 0.00 57.97 61.63 1noi h PHE 530 Cb 0.69 -0.10 -0.08 0.00 2.79 0.00 0.00 35.95 39.25 1noi h PHE 530 CO 0.05 0.57 -0.17 0.82 -2.23 0.00 0.00 178.31 177.35 1noi h ILE 531 N 0.10 0.49 0.00 1.41 2.04 -1.06 0.33 117.51 120.81 1noi h ILE 531 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1noi h ILE 531 Cb 0.42 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1noi h ILE 531 CO 0.01 0.00 0.00 0.08 0.00 0.00 0.00 178.15 178.24 1noi h ARG 532 N -0.10 0.00 0.01 2.37 0.11 -1.04 -2.12 114.38 113.61 1noi h ARG 532 Ca 0.18 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.15 1noi h ARG 532 Cb 0.38 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.47 1noi h ARG 532 CO -0.43 0.00 -0.44 -0.44 0.10 0.00 0.00 179.97 178.76 1noi h ASP 533 N 0.00 0.37 -1.00 0.08 5.19 -0.32 -1.77 116.42 118.97 1noi h ASP 533 Ca 0.00 -0.79 0.04 0.00 -0.62 0.00 0.00 57.03 55.66 1noi h ASP 533 Cb 0.81 -0.11 -0.06 0.00 0.18 0.00 0.00 39.33 40.15 1noi h ASP 533 CO 0.00 1.11 0.66 0.58 -3.12 0.00 0.00 179.24 178.47 1noi h VAL 534 N -0.33 1.18 -0.15 -1.35 2.07 -0.86 -0.58 116.25 116.22 1noi h VAL 534 Ca -0.06 -0.44 -0.17 0.00 0.82 0.00 0.00 66.70 66.85 1noi h VAL 534 Cb 1.19 -0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1noi h VAL 534 CO 0.09 0.23 -0.62 0.00 0.02 0.00 0.00 177.57 177.28 1noi h ALA 535 N 1.41 0.62 0.11 1.67 0.00 -1.47 -2.86 119.26 118.74 1noi h ALA 535 Ca 0.40 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1noi h ALA 535 Cb -0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1noi h ALA 535 CO -0.12 0.71 -0.06 -0.22 0.00 0.00 0.00 179.25 179.56 1noi h LYS 536 N 0.40 -0.16 -0.49 0.00 1.63 -0.29 -1.33 116.57 116.33 1noi h LYS 536 Ca -0.01 0.01 0.09 0.00 -0.85 0.00 0.00 60.65 59.90 1noi h LYS 536 Cb 1.19 0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 32.77 1noi h LYS 536 CO 0.12 -0.11 -0.01 0.28 -3.45 0.00 0.00 179.45 176.28 1noi h VAL 537 N -0.16 0.61 -0.72 2.00 2.07 -1.16 0.31 116.25 119.19 1noi h VAL 537 Ca -0.01 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 1noi h VAL 537 Cb 0.13 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1noi h VAL 537 CO 0.02 0.02 0.27 0.50 0.02 0.00 0.00 177.57 178.39 1noi h LYS 538 N 0.10 1.08 -0.20 1.57 1.63 -1.20 0.17 116.57 119.73 1noi h LYS 538 Ca 0.25 -0.20 -0.13 0.00 -0.85 0.00 0.00 60.65 59.71 1noi h LYS 538 Cb 0.37 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 1noi h LYS 538 CO -0.42 0.89 -0.43 0.37 -3.45 0.00 0.00 179.45 176.41 1noi h GLN 539 N 1.05 0.48 -0.59 1.90 4.15 -0.46 -0.52 115.11 121.13 1noi h GLN 539 Ca 0.24 -0.25 -0.10 0.00 0.77 0.00 0.00 58.65 59.30 1noi h GLN 539 Cb 0.23 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 1noi h GLN 539 CO -0.02 0.83 -0.04 0.93 -1.93 0.00 0.00 178.83 178.60 1noi h GLU 540 N 0.39 1.06 -0.25 1.69 5.08 0.89 -2.35 114.58 121.08 1noi h GLU 540 Ca 0.03 -0.36 -0.16 0.00 -1.00 0.00 0.00 59.36 57.87 1noi h GLU 540 Cb 0.92 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1noi h GLU 540 CO 0.08 1.06 -0.49 -0.91 -1.00 0.00 0.00 179.01 177.75 1noi h ASN 541 N 0.96 0.75 -0.37 1.42 -0.26 -0.74 -2.39 115.58 114.95 1noi h ASN 541 Ca 0.16 -0.38 -0.02 0.00 -0.56 0.00 0.00 56.30 55.50 1noi h ASN 541 Cb 0.61 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.64 1noi h ASN 541 CO 0.04 1.12 0.17 0.11 -1.06 0.00 0.00 177.43 177.81 1noi h LYS 542 N 0.54 0.55 0.39 0.81 1.57 -1.07 -0.50 116.57 118.86 1noi h LYS 542 Ca 0.02 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1noi h LYS 542 Cb 1.05 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 1noi h LYS 542 CO 0.10 0.50 -0.27 1.25 -0.57 0.00 0.00 179.45 180.46 1noi h LEU 543 N 0.46 -0.70 -0.82 2.94 7.12 -1.45 0.19 115.31 123.06 1noi h LEU 543 Ca 0.13 0.05 0.13 0.00 0.13 0.00 0.00 57.88 58.31 1noi h LEU 543 Cb 0.14 0.22 -0.09 0.00 -0.53 0.00 0.00 40.66 40.40 1noi h LEU 543 CO -0.01 -0.42 0.42 0.50 -0.13 0.00 0.00 178.44 178.80 1noi h LYS 544 N -0.65 0.61 -0.17 1.25 3.64 -1.39 -2.09 116.57 117.77 1noi h LYS 544 Ca -0.04 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.18 1noi h LYS 544 Cb 0.55 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1noi h LYS 544 CO 0.02 0.41 -0.37 0.35 -2.27 0.00 0.00 179.45 177.58 1noi h PHE 545 N 0.63 0.70 -0.04 1.91 3.57 0.26 -1.19 116.94 122.78 1noi h PHE 545 Ca 0.43 -0.26 0.01 0.00 3.53 0.00 0.00 57.97 61.68 1noi h PHE 545 Cb 0.56 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 1noi h PHE 545 CO -0.10 1.00 0.11 0.00 -2.23 0.00 0.00 178.31 177.10 1noi h ALA 546 N 0.57 1.33 0.00 2.41 0.00 -0.43 0.53 119.26 123.67 1noi h ALA 546 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1noi h ALA 546 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1noi h ALA 546 CO 0.08 -0.14 -0.11 0.00 0.00 0.00 0.00 179.25 179.08 1noi h ALA 547 N 1.81 0.00 -1.02 0.00 0.00 -0.90 -3.38 119.26 115.77 1noi h ALA 547 Ca 0.02 -0.13 0.26 0.00 0.00 0.00 0.00 54.91 55.06 1noi h ALA 547 Cb 0.25 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.07 1noi h ALA 547 CO -0.00 0.11 0.66 -0.92 0.00 0.00 0.00 179.25 179.11 1noi h TYR 548 N -0.82 0.62 0.00 0.00 5.03 -0.52 0.11 116.97 121.38 1noi h TYR 548 Ca 0.00 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.33 1noi h TYR 548 Cb 0.11 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.21 1noi h TYR 548 CO -0.05 0.08 0.00 -0.11 -1.32 0.00 0.00 178.16 176.76 1noi n LEU 549 N -4.59 0.00 0.00 2.82 7.94 0.11 -1.10 117.00 122.19 1noi n LEU 549 Ca 0.24 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.14 1noi n LEU 549 Cb 0.85 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.80 1noi n LEU 549 CO 0.27 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 175.93 1noi n GLU 550 N -0.64 0.00 0.05 1.96 1.02 -0.11 -3.26 120.64 119.66 1noi n GLU 550 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.93 1noi n GLU 550 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.28 1noi n GLU 550 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1noi h ARG 551 N 0.00 0.32 -4.54 3.49 2.43 0.28 -3.43 114.38 112.92 1noi h ARG 551 Ca 0.00 -0.55 -0.47 0.00 -0.81 0.00 0.00 59.98 58.14 1noi h ARG 551 Cb 0.53 0.21 -0.32 0.00 -0.42 0.00 0.00 29.97 29.96 1noi h ARG 551 CO 0.00 1.24 -0.80 -1.21 -1.51 0.00 0.00 179.97 177.68 1noi s GLU 552 N -2.58 1.32 0.97 0.20 8.01 -0.81 -5.06 118.70 120.76 1noi s GLU 552 Ca -0.17 -0.34 0.00 0.00 0.01 0.00 0.00 54.97 54.47 1noi s GLU 552 Cb 0.06 -1.16 0.00 0.00 -4.31 0.00 0.00 34.13 28.72 1noi s GLU 552 CO 0.82 0.06 0.00 0.66 0.01 0.00 0.00 175.26 176.81 1noi n TYR 553 N 3.62 -1.99 -3.61 1.61 4.01 -1.26 -4.26 117.16 115.28 1noi n TYR 553 Ca -0.21 0.34 -0.01 0.00 -0.16 0.00 0.00 57.90 57.86 1noi n TYR 553 Cb 0.52 -0.54 -0.01 0.00 -0.31 0.00 0.00 39.34 39.00 1noi n TYR 553 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1noi s LYS 554 N -0.62 0.25 0.00 -0.72 0.00 -1.20 -3.29 119.74 114.15 1noi s LYS 554 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 55.97 55.85 1noi s LYS 554 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 37.83 37.93 1noi s LYS 554 CO 0.00 -0.11 0.00 0.28 0.00 0.00 0.00 175.35 175.52 1noi n VAL 555 N -0.27 0.00 0.00 1.79 0.31 -1.26 -4.93 118.33 113.97 1noi n VAL 555 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1noi n VAL 555 Cb 0.60 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.53 1noi n VAL 555 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1noi n HIS 556 N 0.00 0.00 -4.25 3.52 -0.00 -1.26 -5.14 115.22 108.09 1noi n HIS 556 Ca 0.00 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.83 1noi n HIS 556 Cb 0.00 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 29.78 1noi n HIS 556 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1noi s ILE 557 N 0.00 4.53 -0.40 3.57 1.09 -1.26 -5.00 121.20 123.73 1noi s ILE 557 Ca 0.00 -0.16 -0.20 0.00 -1.10 0.00 0.00 60.65 59.19 1noi s ILE 557 Cb 0.00 -2.94 0.01 0.00 -1.06 0.00 0.00 42.46 38.47 1noi s ILE 557 CO 0.00 0.58 0.62 0.21 -0.10 0.00 0.00 174.94 176.26 1noi s ASN 558 N -0.67 6.36 0.00 3.58 2.47 -1.26 -4.95 114.94 120.47 1noi s ASN 558 Ca 0.11 -0.12 0.22 0.00 0.42 0.00 0.00 52.86 53.49 1noi s ASN 558 Cb -0.12 -2.32 0.99 0.00 -1.45 0.00 0.00 41.25 38.36 1noi s ASN 558 CO 0.02 -0.67 1.69 -0.81 -3.72 0.00 0.00 177.10 173.61 1noi n PRO 559 N 6.12 0.13 -0.10 0.43 -0.04 -1.26 -0.47 135.00 139.80 1noi n PRO 559 Ca -0.02 0.11 0.11 0.00 -0.04 0.00 0.00 63.50 63.67 1noi n PRO 559 Cb 0.48 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.75 1noi n PRO 559 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1noi n ASN 560 N -1.41 2.37 -4.87 3.54 4.13 -1.26 -4.81 115.26 112.95 1noi n ASN 560 Ca 0.07 -1.81 -0.31 0.00 1.68 0.00 0.00 54.58 54.21 1noi n ASN 560 Cb 0.22 -0.13 0.01 0.00 -1.54 0.00 0.00 39.78 38.34 1noi n ASN 560 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1noi s SER 561 N -1.64 6.19 0.05 6.41 1.04 0.37 -4.92 113.70 121.20 1noi s SER 561 Ca 0.34 1.37 -0.31 0.00 0.48 0.00 0.00 55.95 57.84 1noi s SER 561 Cb 0.20 -2.42 -0.06 0.00 0.10 0.00 0.00 66.02 63.83 1noi s SER 561 CO 0.29 -0.88 1.38 -0.22 0.98 0.00 0.00 173.24 174.80 1noi s LEU 562 N -5.16 4.34 -0.38 2.42 0.20 -0.72 -4.85 118.68 114.52 1noi s LEU 562 Ca 0.55 2.19 -0.18 0.00 0.69 0.00 0.00 54.13 57.38 1noi s LEU 562 Cb -0.11 -3.57 0.01 0.00 -0.43 0.00 0.00 46.19 42.09 1noi s LEU 562 CO 0.53 -0.67 0.52 -0.36 -0.29 0.00 0.00 176.35 176.08 1noi s PHE 563 N 1.78 3.15 -0.36 5.38 0.40 -1.26 -1.69 117.98 125.37 1noi s PHE 563 Ca 0.64 0.01 -0.10 0.00 -0.60 0.00 0.00 56.93 56.88 1noi s PHE 563 Cb -0.33 -3.00 0.03 0.00 0.51 0.00 0.00 43.02 40.22 1noi s PHE 563 CO 0.28 -0.64 0.19 0.34 0.70 0.00 0.00 175.22 176.09 1noi s ASP 564 N 1.82 5.66 0.02 1.36 -1.08 -0.46 -0.08 116.67 123.91 1noi s ASP 564 Ca 0.18 -0.97 0.05 0.00 -0.52 0.00 0.00 52.55 51.30 1noi s ASP 564 Cb -0.16 -2.00 -0.02 0.00 -1.46 0.00 0.00 42.92 39.29 1noi s ASP 564 CO 0.14 -0.36 -0.16 0.68 0.52 0.00 0.00 175.17 175.99 1noi s VAL 565 N 1.54 1.30 -0.25 1.11 -7.23 0.35 -1.57 120.40 115.65 1noi s VAL 565 Ca 0.02 -0.92 -0.02 0.00 -1.81 0.00 0.00 61.98 59.25 1noi s VAL 565 Cb -0.19 -1.12 0.08 0.00 0.56 0.00 0.00 36.38 35.70 1noi s VAL 565 CO 0.06 0.19 0.05 -1.58 -0.31 0.00 0.00 175.10 173.51 1noi s GLN 566 N -0.84 0.80 -0.11 4.82 0.74 -0.27 -2.46 119.66 122.35 1noi s GLN 566 Ca 0.05 -0.77 0.00 0.00 0.05 0.00 0.00 55.36 54.69 1noi s GLN 566 Cb -0.07 -2.11 0.02 0.00 1.10 0.00 0.00 33.01 31.95 1noi s GLN 566 CO 0.01 -0.79 -0.09 0.14 -0.55 0.00 0.00 175.29 174.01 1noi s VAL 567 N 1.70 1.13 0.00 1.34 -7.23 -1.26 -0.45 120.40 115.63 1noi s VAL 567 Ca 0.03 -0.37 0.00 0.00 -1.81 0.00 0.00 61.98 59.83 1noi s VAL 567 Cb -0.17 -1.12 0.00 0.00 0.56 0.00 0.00 36.38 35.65 1noi s VAL 567 CO -0.15 0.38 0.00 2.29 -0.31 0.00 0.00 175.10 177.31 1noi n LYS 568 N 4.78 -0.14 -1.86 4.82 2.85 -0.98 -4.97 118.16 122.66 1noi n LYS 568 Ca -0.14 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.73 1noi n LYS 568 Cb 0.50 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 34.90 1noi n LYS 568 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1noi s ARG 569 N -2.00 3.53 -0.39 -1.58 0.52 -1.26 -3.94 118.95 113.82 1noi s ARG 569 Ca 0.00 2.27 -0.29 0.00 -0.52 0.00 0.00 55.73 57.19 1noi s ARG 569 Cb 0.00 -2.51 0.01 0.00 0.52 0.00 0.00 34.95 32.97 1noi s ARG 569 CO 0.00 -0.89 1.39 0.42 0.02 0.00 0.00 175.30 176.24 1noi s ILE 570 N -1.27 3.95 0.12 1.52 -1.09 -0.87 -4.90 121.20 118.66 1noi s ILE 570 Ca 0.64 0.99 -0.05 0.00 -2.23 0.00 0.00 60.65 60.01 1noi s ILE 570 Cb -0.41 -4.20 -0.02 0.00 -1.58 0.00 0.00 42.46 36.25 1noi s ILE 570 CO 0.51 -0.71 0.13 -2.28 -1.23 0.00 0.00 174.94 171.36 1noi s HIS 571 N 5.21 0.54 0.08 3.97 2.46 -1.26 -4.72 115.29 121.56 1noi s HIS 571 Ca 0.60 -0.95 -0.14 0.00 0.47 0.00 0.00 55.06 55.04 1noi s HIS 571 Cb -0.14 -0.27 -0.21 0.00 -0.13 0.00 0.00 32.58 31.83 1noi s HIS 571 CO 0.31 -0.55 1.22 0.93 -2.47 0.00 0.00 174.74 174.17 1noi h GLU 572 N 2.81 0.73 -0.79 2.88 5.08 -1.97 -3.23 114.58 120.08 1noi h GLU 572 Ca -0.34 -0.72 0.23 0.00 -1.00 0.00 0.00 59.36 57.53 1noi h GLU 572 Cb 1.20 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.61 1noi h GLU 572 CO 0.57 1.31 0.65 0.10 -1.00 0.00 0.00 179.01 180.64 1noi h TYR 573 N 0.43 0.00 0.00 4.33 -0.00 -1.96 -1.39 116.97 118.37 1noi h TYR 573 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.62 1noi h TYR 573 Cb 1.61 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.34 1noi h TYR 573 CO 0.10 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 179.89 1noi n LYS 574 N -3.99 0.19 -3.84 0.10 5.02 -1.22 -2.58 118.16 111.85 1noi n LYS 574 Ca 0.16 0.16 -0.31 0.00 -2.02 0.00 0.00 58.31 56.31 1noi n LYS 574 Cb 0.94 -1.73 0.01 0.00 -0.02 0.00 0.00 35.03 34.23 1noi n LYS 574 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1noi n ARG 575 N -2.06 -1.99 0.21 1.97 1.74 -0.53 -4.20 116.66 111.80 1noi n ARG 575 Ca 0.06 0.39 0.06 0.00 -0.77 0.00 0.00 57.85 57.59 1noi n ARG 575 Cb 0.40 -4.12 0.54 0.00 -1.02 0.00 0.00 32.46 28.26 1noi n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1noi h GLN 576 N -1.95 0.07 -0.07 5.56 7.50 -1.83 -0.78 115.11 123.61 1noi h GLN 576 Ca -0.66 -0.01 -0.05 0.00 0.50 0.00 0.00 58.65 58.44 1noi h GLN 576 Cb 1.37 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.88 1noi h GLN 576 CO 0.55 0.14 -0.17 -0.07 -1.50 0.00 0.00 178.83 177.78 1noi h LEU 577 N 0.07 0.11 -0.37 1.46 3.38 -1.91 0.94 115.31 118.99 1noi h LEU 577 Ca 0.02 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1noi h LEU 577 Cb 0.16 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1noi h LEU 577 CO 0.01 0.29 -0.04 0.25 0.09 0.00 0.00 178.44 179.04 1noi h LEU 578 N 0.11 0.67 -0.50 1.67 5.85 -1.52 0.11 115.31 121.70 1noi h LEU 578 Ca 0.02 -0.33 -0.07 0.00 0.84 0.00 0.00 57.88 58.34 1noi h LEU 578 Cb 0.38 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1noi h LEU 578 CO 0.02 0.85 0.04 -1.13 -0.34 0.00 0.00 178.44 177.89 1noi h ASN 579 N 0.48 0.83 -0.37 1.25 -0.00 -1.24 -1.57 115.58 114.97 1noi h ASN 579 Ca 0.10 -0.28 -0.01 0.00 -0.00 0.00 0.00 56.30 56.10 1noi h ASN 579 Cb 0.53 -0.22 -0.02 0.00 -0.00 0.00 0.00 38.32 38.60 1noi h ASN 579 CO 0.03 0.91 0.19 0.00 -0.00 0.00 0.00 177.43 178.56 1noi h LEU 581 N 0.57 -0.35 -1.00 0.00 3.38 0.16 -2.50 115.31 115.57 1noi h LEU 581 Ca 0.14 -0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.15 1noi h LEU 581 Cb 0.07 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.83 1noi h LEU 581 CO -0.02 -0.16 0.64 -0.74 0.09 0.00 0.00 178.44 178.25 1noi h HIS 582 N -0.53 1.17 -0.07 1.13 2.76 -1.18 -0.02 115.15 118.41 1noi h HIS 582 Ca -0.04 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.17 1noi h HIS 582 Cb 0.39 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 1noi h HIS 582 CO -0.03 0.52 -0.01 0.28 -1.30 0.00 0.00 177.93 177.40 1noi h VAL 583 N 1.07 0.94 -0.48 5.26 2.07 -1.22 -1.64 116.25 122.26 1noi h VAL 583 Ca 0.47 -0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.87 1noi h VAL 583 Cb 0.35 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1noi h VAL 583 CO -0.23 0.00 -0.15 0.40 0.02 0.00 0.00 177.57 177.62 1noi h ILE 584 N 0.01 1.27 -0.91 4.57 2.04 -1.04 -2.03 117.51 121.42 1noi h ILE 584 Ca 0.03 -1.29 0.26 0.00 1.00 0.00 0.00 64.86 64.86 1noi h ILE 584 Cb 0.04 1.11 -0.15 0.00 -0.74 0.00 0.00 36.82 37.08 1noi h ILE 584 CO -0.06 0.45 0.23 0.74 0.00 0.00 0.00 178.15 179.50 1noi h THR 585 N 0.79 0.24 0.36 -0.27 2.02 -0.69 -2.20 112.91 113.15 1noi h THR 585 Ca 0.12 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 1noi h THR 585 Cb 0.71 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1noi h THR 585 CO 0.05 0.03 -0.17 -0.07 0.37 0.00 0.00 175.52 175.73 1noi h LEU 586 N 0.16 -0.41 -0.11 2.58 4.07 -0.87 -2.71 115.31 118.02 1noi h LEU 586 Ca 0.59 -0.15 0.02 0.00 0.08 0.00 0.00 57.88 58.43 1noi h LEU 586 Cb 1.23 0.10 -0.05 0.00 1.08 0.00 0.00 40.66 43.03 1noi h LEU 586 CO -0.71 -0.04 -0.42 0.22 -1.08 0.00 0.00 178.44 176.41 1noi h TYR 587 N -0.82 -1.25 -1.06 1.13 3.20 -1.22 -1.31 116.97 115.64 1noi h TYR 587 Ca -0.05 0.05 0.33 0.00 3.14 0.00 0.00 58.73 62.20 1noi h TYR 587 Cb 0.53 0.56 -0.14 0.00 1.54 0.00 0.00 36.73 39.22 1noi h TYR 587 CO 0.02 -0.42 0.63 -0.91 -1.64 0.00 0.00 178.16 175.84 1noi h ASN 588 N -0.44 0.47 -0.06 -2.11 2.35 -1.47 -0.01 115.58 114.31 1noi h ASN 588 Ca 0.03 0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 1noi h ASN 588 Cb 0.52 0.12 -0.00 0.00 0.05 0.00 0.00 38.32 39.01 1noi h ASN 588 CO -0.34 -0.12 -0.02 -0.09 -1.65 0.00 0.00 177.43 175.21 1noi h ARG 589 N 0.29 0.11 -0.73 0.81 9.65 -1.16 0.64 114.38 123.99 1noi h ARG 589 Ca 0.73 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 59.55 1noi h ARG 589 Cb 1.80 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 30.34 1noi h ARG 589 CO -0.54 0.46 0.37 0.82 2.80 0.00 0.00 179.97 183.88 1noi h ILE 590 N -0.24 1.23 -0.17 1.20 2.04 0.01 0.53 117.51 122.10 1noi h ILE 590 Ca 0.01 -0.62 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 1noi h ILE 590 Cb 0.42 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1noi h ILE 590 CO 0.01 0.27 -0.12 0.11 0.00 0.00 0.00 178.15 178.41 1noi h LYS 591 N 1.01 0.27 0.11 2.37 1.79 -0.78 -1.08 116.57 120.27 1noi h LYS 591 Ca 0.25 -0.06 -0.28 0.00 -2.18 0.00 0.00 60.65 58.38 1noi h LYS 591 Cb 0.08 -0.04 0.01 0.00 -1.58 0.00 0.00 32.23 30.71 1noi h LYS 591 CO -0.04 0.40 -1.20 -0.22 -1.08 0.00 0.00 179.45 177.31 1noi h LYS 592 N 0.26 0.42 -2.99 3.15 3.64 -0.48 -3.39 116.57 117.18 1noi h LYS 592 Ca 0.05 -0.60 -0.62 0.00 -1.27 0.00 0.00 60.65 58.21 1noi h LYS 592 Cb 0.37 0.21 -0.41 0.00 -0.41 0.00 0.00 32.23 31.99 1noi h LYS 592 CO 0.02 1.26 -0.69 -1.21 -2.27 0.00 0.00 179.45 176.56 1noi s GLU 593 N -2.87 1.85 0.21 1.90 8.01 0.14 -4.97 118.70 122.97 1noi s GLU 593 Ca -0.06 -2.71 0.15 0.00 0.01 0.00 0.00 54.97 52.35 1noi s GLU 593 Cb 0.07 -2.82 0.77 0.00 -4.31 0.00 0.00 34.13 27.84 1noi s GLU 593 CO 0.90 -1.24 1.45 -2.30 0.01 0.00 0.00 175.26 174.08 1noi n PRO 594 N 2.67 0.09 -0.04 0.39 -0.02 -0.51 -1.18 135.00 136.40 1noi n PRO 594 Ca 0.16 0.57 0.02 0.00 -2.02 0.00 0.00 63.50 62.23 1noi n PRO 594 Cb 0.37 -1.79 0.03 0.00 -0.02 0.00 0.00 33.50 32.08 1noi n PRO 594 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1noi n ASN 595 N -1.99 1.65 -4.75 2.55 3.02 -1.26 -5.01 115.26 109.46 1noi n ASN 595 Ca -0.01 -2.04 -0.39 0.00 -0.03 0.00 0.00 54.58 52.11 1noi n ASN 595 Cb 0.04 -0.09 -0.05 0.00 -0.61 0.00 0.00 39.78 39.07 1noi n ASN 595 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1noi s LYS 596 N -1.14 4.39 0.20 3.52 2.36 -0.33 -4.99 119.74 123.76 1noi s LYS 596 Ca 0.06 0.86 -0.31 0.00 -2.55 0.00 0.00 55.97 54.03 1noi s LYS 596 Cb 0.05 -3.36 -0.10 0.00 -1.05 0.00 0.00 37.83 33.37 1noi s LYS 596 CO 0.01 0.31 1.57 0.12 1.55 0.00 0.00 175.35 178.90 1noi s PHE 597 N -0.06 2.99 -0.01 4.03 5.36 -1.26 -5.00 117.98 124.04 1noi s PHE 597 Ca 0.34 0.69 0.02 0.00 -0.96 0.00 0.00 56.93 57.02 1noi s PHE 597 Cb -0.19 -3.95 -0.00 0.00 -0.34 0.00 0.00 43.02 38.53 1noi s PHE 597 CO 0.19 -3.41 -0.07 0.54 -1.46 0.00 0.00 175.22 171.01 1noi s VAL 598 N 0.77 0.58 -0.02 3.12 0.11 -1.26 -5.11 120.40 118.59 1noi s VAL 598 Ca 0.68 -0.31 -0.30 0.00 -2.93 0.00 0.00 61.98 59.12 1noi s VAL 598 Cb -0.45 -0.50 -0.05 0.00 -1.53 0.00 0.00 36.38 33.86 1noi s VAL 598 CO 0.36 0.17 1.45 -0.69 -3.33 0.00 0.00 175.10 173.06 1noi s VAL 599 N -0.12 3.70 0.63 2.04 1.01 -1.26 -4.99 120.40 121.41 1noi s VAL 599 Ca 0.02 1.03 -0.15 0.00 0.00 0.00 0.00 61.98 62.88 1noi s VAL 599 Cb -0.03 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 1noi s VAL 599 CO -0.00 -0.03 1.07 -2.16 0.00 0.00 0.00 175.10 173.98 1noi s PRO 600 N 2.84 3.09 0.08 2.72 0.04 -1.26 -4.96 135.00 137.56 1noi s PRO 600 Ca 0.65 1.21 -0.06 0.00 0.04 0.00 0.00 61.00 62.85 1noi s PRO 600 Cb -0.31 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 1noi s PRO 600 CO 0.26 -0.99 0.12 1.03 0.04 0.00 0.00 177.00 177.45 1noi s ARG 601 N -4.25 0.80 -0.20 4.56 0.52 -0.91 -1.76 118.95 117.70 1noi s ARG 601 Ca 0.63 -1.10 -0.02 0.00 -0.52 0.00 0.00 55.73 54.73 1noi s ARG 601 Cb -0.17 0.29 0.06 0.00 0.52 0.00 0.00 34.95 35.65 1noi s ARG 601 CO 0.41 -0.23 0.01 0.99 0.02 0.00 0.00 175.30 176.51 1noi s THR 602 N -3.90 0.79 -0.22 0.02 2.01 -0.68 -2.39 115.64 111.27 1noi s THR 602 Ca 0.08 -0.71 -0.11 0.00 0.31 0.00 0.00 61.69 61.27 1noi s THR 602 Cb 0.06 -1.22 -0.05 0.00 0.01 0.00 0.00 72.50 71.30 1noi s THR 602 CO -0.09 -0.16 0.16 0.68 -0.69 0.00 0.00 174.62 174.52 1noi s VAL 603 N 1.74 5.37 -0.12 3.82 -7.23 -0.62 -1.35 120.40 122.01 1noi s VAL 603 Ca -0.02 0.21 0.01 0.00 -1.81 0.00 0.00 61.98 60.37 1noi s VAL 603 Cb -0.17 -3.50 0.02 0.00 0.56 0.00 0.00 36.38 33.29 1noi s VAL 603 CO -0.07 0.38 -0.13 -0.04 -0.31 0.00 0.00 175.10 174.93 1noi s MET 604 N 0.78 2.06 -0.05 4.82 -1.94 -0.61 -0.11 119.30 124.25 1noi s MET 604 Ca 0.08 -0.48 0.04 0.00 -1.71 0.00 0.00 55.69 53.62 1noi s MET 604 Cb -0.13 -1.87 -0.00 0.00 2.01 0.00 0.00 34.83 34.85 1noi s MET 604 CO 0.02 -0.16 -0.18 0.42 -0.01 0.00 0.00 175.02 175.11 1noi s ILE 605 N 1.30 1.49 0.03 2.53 1.01 -0.35 -1.11 121.20 126.10 1noi s ILE 605 Ca -0.01 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 59.86 1noi s ILE 605 Cb -0.14 -1.29 -0.01 0.00 0.01 0.00 0.00 42.46 41.03 1noi s ILE 605 CO -0.06 0.43 0.07 -0.83 0.00 0.00 0.00 174.94 174.56 1noi s GLY 606 N 0.15 0.18 0.00 6.18 0.00 0.40 -0.70 107.32 113.54 1noi s GLY 606 Ca -0.07 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.12 1noi s GLY 606 CO 0.03 -0.66 0.00 0.61 0.00 0.00 0.00 173.10 173.08 1noi n GLY 607 N 0.96 2.63 3.73 0.20 0.00 -1.25 -2.31 105.19 109.15 1noi n GLY 607 Ca -0.20 -1.14 -0.35 0.00 0.00 0.00 0.00 46.02 44.32 1noi n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1noi s LYS 608 N -2.06 3.56 0.00 1.61 1.02 -1.26 -4.70 119.74 117.90 1noi s LYS 608 Ca 0.00 -0.29 0.00 0.00 0.02 0.00 0.00 55.97 55.70 1noi s LYS 608 Cb 0.00 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.20 1noi s LYS 608 CO 0.00 0.55 0.00 -0.35 -0.92 0.00 0.00 175.35 174.63 1noi n PRO 609 N 2.67 0.00 0.00 -1.68 -0.05 -1.26 -2.05 135.00 132.63 1noi n PRO 609 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.27 1noi n PRO 609 Cb 0.53 -0.40 0.00 0.00 -0.05 0.00 0.00 33.50 33.59 1noi n PRO 609 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1noi n ALA 610 N -3.00 0.00 -1.66 0.55 0.00 -1.26 -4.44 120.51 110.69 1noi n ALA 610 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 1noi n ALA 610 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1noi n ALA 610 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1noi n PRO 611 N 0.00 1.95 -1.00 0.00 -0.02 -1.26 -1.14 135.00 133.53 1noi n PRO 611 Ca 0.00 0.69 -0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1noi n PRO 611 Cb 0.00 -2.30 -0.00 0.00 -0.02 0.00 0.00 33.50 31.18 1noi n PRO 611 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1noi n GLY 612 N 1.80 0.26 3.41 -1.23 0.00 -1.26 -4.91 105.19 103.26 1noi n GLY 612 Ca 0.10 -0.01 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 1noi n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1noi s TYR 613 N -1.51 2.89 0.14 1.61 6.14 -0.29 -4.90 117.35 121.43 1noi s TYR 613 Ca 0.00 -0.84 -0.18 0.00 0.64 0.00 0.00 57.07 56.69 1noi s TYR 613 Cb 0.00 -4.13 -0.00 0.00 0.42 0.00 0.00 41.96 38.25 1noi s TYR 613 CO 0.00 -1.43 1.75 1.25 0.64 0.00 0.00 175.55 177.75 1noi h HIS 614 N 9.30 0.15 -0.50 4.97 -0.00 -1.91 -1.78 115.15 125.39 1noi h HIS 614 Ca -0.27 0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.03 1noi h HIS 614 Cb 1.08 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 28.44 1noi h HIS 614 CO 0.90 0.07 -0.01 1.98 -0.00 0.00 0.00 177.93 180.87 1noi h MET 615 N 0.20 0.88 -0.39 5.26 -1.53 -1.98 -0.85 114.93 116.51 1noi h MET 615 Ca 0.12 -0.28 -0.04 0.00 -3.44 0.00 0.00 59.70 56.05 1noi h MET 615 Cb 0.09 -0.08 -0.02 0.00 -0.55 0.00 0.00 31.60 31.04 1noi h MET 615 CO -0.12 0.92 0.08 0.00 0.14 0.00 0.00 176.91 177.92 1noi h ALA 616 N 0.93 1.40 -0.07 0.39 0.00 -1.78 -0.27 119.26 119.87 1noi h ALA 616 Ca 0.14 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1noi h ALA 616 Cb 0.52 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1noi h ALA 616 CO 0.03 0.43 -0.58 0.87 0.00 0.00 0.00 179.25 180.00 1noi h LYS 617 N 0.57 0.22 -0.15 0.00 1.57 -0.75 -2.77 116.57 115.26 1noi h LYS 617 Ca 0.13 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1noi h LYS 617 Cb 0.25 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1noi h LYS 617 CO -0.00 0.74 0.02 0.52 -0.57 0.00 0.00 179.45 180.15 1noi h MET 618 N 0.16 0.25 -0.44 3.15 2.86 -0.38 -3.01 114.93 117.52 1noi h MET 618 Ca -0.00 -0.07 0.05 0.00 -2.06 0.00 0.00 59.70 57.61 1noi h MET 618 Cb 1.07 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.66 1noi h MET 618 CO 0.09 0.44 0.19 0.82 1.06 0.00 0.00 176.91 179.50 1noi h ILE 619 N 0.02 0.91 -0.79 -1.22 2.04 -1.02 0.21 117.51 117.66 1noi h ILE 619 Ca 0.04 -0.13 0.14 0.00 1.00 0.00 0.00 64.86 65.91 1noi h ILE 619 Cb 0.31 0.50 -0.09 0.00 -0.74 0.00 0.00 36.82 36.81 1noi h ILE 619 CO 0.00 0.07 0.37 0.40 0.00 0.00 0.00 178.15 179.00 1noi h ILE 620 N 0.38 0.72 -0.60 -0.67 2.04 -1.55 0.58 117.51 118.41 1noi h ILE 620 Ca 0.20 -0.19 -0.09 0.00 1.00 0.00 0.00 64.86 65.78 1noi h ILE 620 Cb 0.15 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 1noi h ILE 620 CO -0.17 0.10 0.02 0.50 0.00 0.00 0.00 178.15 178.60 1noi h LYS 621 N 0.55 1.04 -0.19 2.37 1.63 -0.92 -0.74 116.57 120.31 1noi h LYS 621 Ca 0.43 -0.32 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 1noi h LYS 621 Cb 0.60 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.12 1noi h LYS 621 CO -0.36 1.02 0.09 1.25 -3.45 0.00 0.00 179.45 178.00 1noi h LEU 622 N 0.94 0.24 -0.45 5.20 6.46 0.85 0.33 115.31 128.88 1noi h LEU 622 Ca 0.17 -0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1noi h LEU 622 Cb 0.54 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.38 1noi h LEU 622 CO 0.03 0.29 0.27 0.40 -0.62 0.00 0.00 178.44 178.80 1noi h ILE 623 N 0.18 1.15 -0.66 4.05 2.04 -0.20 0.22 117.51 124.28 1noi h ILE 623 Ca 0.06 -0.35 0.11 0.00 1.00 0.00 0.00 64.86 65.68 1noi h ILE 623 Cb 0.11 0.56 -0.08 0.00 -0.74 0.00 0.00 36.82 36.67 1noi h ILE 623 CO -0.01 0.15 0.26 0.74 0.00 0.00 0.00 178.15 179.30 1noi h THR 624 N 0.60 0.75 -0.39 -0.27 2.02 -0.96 -1.35 112.91 113.30 1noi h THR 624 Ca 0.16 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 1noi h THR 624 Cb 0.01 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 1noi h THR 624 CO -0.03 0.08 0.20 0.00 0.37 0.00 0.00 175.52 176.14 1noi h ALA 625 N 1.45 0.50 -0.27 6.16 0.00 0.28 -2.04 119.26 125.34 1noi h ALA 625 Ca 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1noi h ALA 625 Cb 0.44 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1noi h ALA 625 CO -0.33 0.04 0.18 0.82 0.00 0.00 0.00 179.25 179.96 1noi h ILE 626 N 0.50 1.07 -0.37 0.00 2.04 -0.87 -2.65 117.51 117.23 1noi h ILE 626 Ca 0.14 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.92 1noi h ILE 626 Cb 0.08 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 1noi h ILE 626 CO -0.02 0.07 0.11 1.23 0.00 0.00 0.00 178.15 179.54 1noi h GLY 627 N 0.36 0.46 0.97 5.37 0.00 -0.98 -0.01 103.07 109.25 1noi h GLY 627 Ca 0.10 -0.06 0.10 0.00 0.00 0.00 0.00 47.33 47.47 1noi h GLY 627 CO -0.02 0.01 0.44 -0.55 0.00 0.00 0.00 176.54 176.42 1noi h ASP 628 N 0.26 0.47 0.00 0.19 3.32 -1.23 -1.12 116.42 118.30 1noi h ASP 628 Ca 0.17 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1noi h ASP 628 Cb 0.16 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1noi h ASP 628 CO -0.19 0.28 0.00 0.52 -1.72 0.00 0.00 179.24 178.13 1noi n VAL 629 N -4.48 0.00 0.28 -1.35 0.31 -0.81 -4.00 118.33 108.28 1noi n VAL 629 Ca 0.11 0.53 0.18 0.00 -0.01 0.00 0.00 64.34 65.15 1noi n VAL 629 Cb 0.35 -1.30 0.74 0.00 -0.91 0.00 0.00 33.84 32.73 1noi n VAL 629 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 1noi h VAL 630 N 0.00 0.00 -0.01 2.52 3.04 -0.99 0.55 116.25 121.36 1noi h VAL 630 Ca 0.00 -0.46 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 1noi h VAL 630 Cb 0.00 1.46 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 1noi h VAL 630 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.15 1noi n ASN 631 N -3.09 0.11 -1.98 3.17 3.02 -0.43 -2.87 115.26 113.19 1noi n ASN 631 Ca 0.00 -1.25 0.01 0.00 -0.03 0.00 0.00 54.58 53.31 1noi n ASN 631 Cb 0.28 -0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.50 1noi n ASN 631 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1noi n HIS 632 N -0.81 0.69 -3.65 3.10 8.25 0.18 -5.03 115.22 117.95 1noi n HIS 632 Ca 0.19 -1.35 -0.39 0.00 -0.26 0.00 0.00 57.72 55.91 1noi n HIS 632 Cb 0.10 -0.20 -0.12 0.00 1.12 0.00 0.00 29.99 30.89 1noi n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1noi s ASP 633 N -2.93 5.54 0.48 0.41 -1.08 -1.14 -4.96 116.67 113.00 1noi s ASP 633 Ca 0.33 -0.73 0.28 0.00 -0.52 0.00 0.00 52.55 51.91 1noi s ASP 633 Cb 0.36 -1.99 1.34 0.00 -1.46 0.00 0.00 42.92 41.18 1noi s ASP 633 CO -0.10 -0.26 1.80 -0.65 0.52 0.00 0.00 175.17 176.49 1noi h PRO 634 N 8.36 0.17 0.00 4.34 0.11 -1.94 -1.04 132.00 141.99 1noi h PRO 634 Ca -0.30 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.61 1noi h PRO 634 Cb 1.13 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1noi h PRO 634 CO 0.63 0.11 -0.93 0.28 -0.21 0.00 0.00 178.00 177.89 1noi h VAL 635 N 0.18 1.62 0.00 3.15 2.07 -1.98 -3.28 116.25 118.01 1noi h VAL 635 Ca 0.56 -3.22 -0.21 0.00 0.82 0.00 0.00 66.70 64.65 1noi h VAL 635 Cb 1.84 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 34.36 1noi h VAL 635 CO -0.14 0.91 -0.90 0.58 0.02 0.00 0.00 177.57 178.04 1noi h VAL 636 N 0.00 1.46 0.00 2.57 2.07 -1.54 -3.48 116.25 117.33 1noi h VAL 636 Ca -0.01 -2.56 0.00 0.00 0.82 0.00 0.00 66.70 64.95 1noi h VAL 636 Cb 1.68 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 33.90 1noi h VAL 636 CO 0.12 0.75 0.00 0.61 0.02 0.00 0.00 177.57 179.07 1noi n GLY 637 N 0.90 2.69 2.13 2.17 0.00 -1.13 -1.91 105.19 110.05 1noi n GLY 637 Ca -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 1noi n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1noi n ASP 638 N 9.70 1.74 0.13 1.61 5.68 -1.26 -4.72 116.55 129.43 1noi n ASP 638 Ca 0.00 -2.34 0.13 0.00 -0.50 0.00 0.00 54.79 52.08 1noi n ASP 638 Cb 0.00 -0.41 0.33 0.00 -1.14 0.00 0.00 41.12 39.90 1noi n ASP 638 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1noi h ARG 639 N 1.90 0.00 -3.29 0.11 3.08 -1.71 -3.43 114.38 111.03 1noi h ARG 639 Ca -0.11 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.73 1noi h ARG 639 Cb 1.49 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 31.25 1noi h ARG 639 CO 0.20 0.00 -0.57 -1.17 -1.07 0.00 0.00 179.97 177.36 1noi s LEU 640 N -4.88 1.02 -0.03 3.04 0.20 -1.26 -2.14 118.68 114.63 1noi s LEU 640 Ca 0.09 0.31 0.01 0.00 0.69 0.00 0.00 54.13 55.24 1noi s LEU 640 Cb 0.11 0.45 0.02 0.00 -0.43 0.00 0.00 46.19 46.33 1noi s LEU 640 CO 0.63 -0.11 -0.04 -0.13 -0.29 0.00 0.00 176.35 176.41 1noi s ARG 641 N 0.69 0.65 -0.11 1.98 1.81 -1.01 -4.73 118.95 118.24 1noi s ARG 641 Ca -0.05 -0.11 0.02 0.00 -1.72 0.00 0.00 55.73 53.87 1noi s ARG 641 Cb -0.07 -0.68 -0.01 0.00 -0.45 0.00 0.00 34.95 33.75 1noi s ARG 641 CO -0.03 -0.02 -0.19 0.08 -0.68 0.00 0.00 175.30 174.46 1noi s VAL 642 N 0.61 2.56 -0.01 3.52 1.01 -1.26 -1.58 120.40 125.25 1noi s VAL 642 Ca -0.08 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1noi s VAL 642 Cb -0.11 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1noi s VAL 642 CO -0.00 0.54 -0.05 -0.63 0.00 0.00 0.00 175.10 174.96 1noi s ILE 643 N 0.31 0.43 -0.31 2.22 1.01 0.85 -4.60 121.20 121.11 1noi s ILE 643 Ca -0.14 -0.21 -0.11 0.00 0.00 0.00 0.00 60.65 60.19 1noi s ILE 643 Cb -0.17 -0.38 -0.02 0.00 0.01 0.00 0.00 42.46 41.90 1noi s ILE 643 CO 0.07 0.14 0.19 0.12 0.00 0.00 0.00 174.94 175.46 1noi s PHE 644 N 0.04 3.20 -0.35 3.97 5.36 -1.26 -1.21 117.98 127.73 1noi s PHE 644 Ca -0.00 -0.28 -0.24 0.00 -0.96 0.00 0.00 56.93 55.45 1noi s PHE 644 Cb -0.04 -2.40 0.01 0.00 -0.34 0.00 0.00 43.02 40.25 1noi s PHE 644 CO -0.00 -0.35 0.84 -0.51 -1.46 0.00 0.00 175.22 173.74 1noi s LEU 645 N 1.69 4.07 0.02 6.12 1.43 0.13 -4.94 118.68 127.20 1noi s LEU 645 Ca 0.06 0.52 -0.28 0.00 -1.03 0.00 0.00 54.13 53.40 1noi s LEU 645 Cb -0.17 -3.13 -0.04 0.00 0.03 0.00 0.00 46.19 42.88 1noi s LEU 645 CO 0.09 -0.75 0.90 -0.70 0.23 0.00 0.00 176.35 176.12 1noi s GLU 646 N 3.20 4.56 -0.65 1.70 2.12 -1.26 -4.12 118.70 124.25 1noi s GLU 646 Ca 0.34 1.28 -0.02 0.00 0.36 0.00 0.00 54.97 56.93 1noi s GLU 646 Cb -0.13 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.81 1noi s GLU 646 CO 0.16 0.08 0.56 -1.71 -0.54 0.00 0.00 175.26 173.81 1noi n ASN 647 N 3.47 -3.76 -4.73 -1.70 5.15 -1.26 -4.95 115.26 107.47 1noi n ASN 647 Ca 0.03 -0.40 -0.41 0.00 -0.60 0.00 0.00 54.58 53.19 1noi n ASN 647 Cb 0.51 -3.26 -0.03 0.00 -0.53 0.00 0.00 39.78 36.46 1noi n ASN 647 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1noi s TYR 648 N -3.22 3.34 0.36 1.20 5.04 -1.26 -4.89 117.35 117.92 1noi s TYR 648 Ca 0.17 1.29 -0.11 0.00 -2.44 0.00 0.00 57.07 55.98 1noi s TYR 648 Cb -0.02 -3.53 0.03 0.00 0.35 0.00 0.00 41.96 38.79 1noi s TYR 648 CO 0.43 -1.60 0.66 -0.98 -1.34 0.00 0.00 175.55 172.73 1noi s ARG 649 N 0.02 2.07 0.19 4.97 1.70 -1.26 -4.69 118.95 121.94 1noi s ARG 649 Ca 0.56 -1.52 -0.11 0.00 -0.47 0.00 0.00 55.73 54.19 1noi s ARG 649 Cb -0.34 0.56 0.19 0.00 -0.57 0.00 0.00 34.95 34.78 1noi s ARG 649 CO 0.36 -0.93 1.78 0.28 -1.08 0.00 0.00 175.30 175.72 1noi h VAL 650 N 2.05 0.92 0.00 4.99 2.07 -1.94 -2.40 116.25 121.95 1noi h VAL 650 Ca -0.30 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1noi h VAL 650 Cb 1.25 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1noi h VAL 650 CO 0.39 0.10 0.00 -1.54 0.02 0.00 0.00 177.57 176.53 1noi n SER 651 N -4.88 0.39 0.10 0.57 3.41 -1.26 -1.56 113.62 110.39 1noi n SER 651 Ca 0.06 0.56 -0.18 0.00 -0.26 0.00 0.00 58.87 59.05 1noi n SER 651 Cb 0.17 -0.66 -0.14 0.00 -0.26 0.00 0.00 64.21 63.32 1noi n SER 651 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1noi h LEU 652 N 0.00 0.50 -0.89 1.04 6.46 -1.83 -3.22 115.31 117.38 1noi h LEU 652 Ca 0.00 -0.58 0.03 0.00 -0.12 0.00 0.00 57.88 57.21 1noi h LEU 652 Cb 0.51 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 40.22 1noi h LEU 652 CO 0.00 1.46 0.57 0.00 -0.62 0.00 0.00 178.44 179.86 1noi h ALA 653 N 0.46 1.17 0.00 1.25 0.00 -0.79 0.51 119.26 121.86 1noi h ALA 653 Ca -0.20 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1noi h ALA 653 Cb 2.03 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.51 1noi h ALA 653 CO 0.21 0.43 -0.01 0.93 0.00 0.00 0.00 179.25 180.80 1noi h GLU 654 N 1.12 0.00 0.02 0.00 5.08 -1.45 -1.15 114.58 118.20 1noi h GLU 654 Ca 0.35 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.34 1noi h GLU 654 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 1noi h GLU 654 CO -0.12 0.01 -2.31 1.63 -1.00 0.00 0.00 179.01 177.23 1noi n LYS 655 N -3.14 0.68 0.09 2.33 4.76 -0.03 -4.46 118.16 118.40 1noi n LYS 655 Ca -0.01 0.13 -0.23 0.00 -2.87 0.00 0.00 58.31 55.33 1noi n LYS 655 Cb 0.19 -1.57 -0.15 0.00 -1.84 0.00 0.00 35.03 31.66 1noi n LYS 655 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 1noi h VAL 656 N 0.01 1.05 -0.40 -0.18 3.04 -0.86 -3.36 116.25 115.55 1noi h VAL 656 Ca -0.52 -2.59 0.00 0.00 -1.01 0.00 0.00 66.70 62.58 1noi h VAL 656 Cb 2.04 2.84 -0.02 0.00 -2.01 0.00 0.00 31.29 34.14 1noi h VAL 656 CO -0.01 0.84 0.26 0.40 -1.01 0.00 0.00 177.57 178.06 1noi h ILE 657 N 0.12 1.10 0.00 3.17 2.04 -1.43 -1.03 117.51 121.48 1noi h ILE 657 Ca -0.31 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1noi h ILE 657 Cb 2.11 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 1noi h ILE 657 CO 0.20 0.10 0.00 -0.81 0.00 0.00 0.00 178.15 177.64 1noi n PRO 658 N -4.81 0.11 0.00 2.37 -0.04 -1.26 -1.76 135.00 129.61 1noi n PRO 658 Ca 0.01 0.45 0.13 0.00 -0.04 0.00 0.00 63.50 64.05 1noi n PRO 658 Cb 0.02 -1.77 0.34 0.00 -0.04 0.00 0.00 33.50 32.06 1noi n PRO 658 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1noi n ALA 659 N -1.68 3.16 -1.86 0.55 0.00 -0.40 -4.73 120.51 115.54 1noi n ALA 659 Ca 0.01 -0.41 -0.34 0.00 0.00 0.00 0.00 53.44 52.70 1noi n ALA 659 Cb 0.14 -1.11 -0.07 0.00 0.00 0.00 0.00 19.45 18.41 1noi n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1noi s ALA 660 N -2.56 3.16 -0.14 0.00 0.00 -0.72 -4.59 121.76 116.91 1noi s ALA 660 Ca 0.23 0.38 0.07 0.00 0.00 0.00 0.00 51.96 52.64 1noi s ALA 660 Cb 0.19 -3.09 -0.13 0.00 0.00 0.00 0.00 23.12 20.09 1noi s ALA 660 CO 0.54 0.18 -0.03 -0.25 0.00 0.00 0.00 175.76 176.20 1noi n ASP 661 N -0.11 2.31 -4.02 0.00 8.00 0.89 -4.24 116.55 119.38 1noi n ASP 661 Ca 0.04 -0.04 -0.25 0.00 0.71 0.00 0.00 54.79 55.25 1noi n ASP 661 Cb 0.52 0.36 -0.17 0.00 -0.02 0.00 0.00 41.12 41.82 1noi n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1noi s LEU 662 N -5.33 1.61 -0.28 0.64 0.20 -0.24 -0.68 118.68 114.60 1noi s LEU 662 Ca -0.12 -0.31 -0.11 0.00 0.69 0.00 0.00 54.13 54.27 1noi s LEU 662 Cb 0.04 -0.86 -0.05 0.00 -0.43 0.00 0.00 46.19 44.89 1noi s LEU 662 CO 0.44 0.02 0.19 -0.55 -0.29 0.00 0.00 176.35 176.16 1noi s SER 663 N 0.79 6.02 -0.43 3.68 0.15 0.84 -0.49 113.70 124.26 1noi s SER 663 Ca -0.12 -0.01 -0.15 0.00 0.70 0.00 0.00 55.95 56.37 1noi s SER 663 Cb -0.15 -2.12 0.03 0.00 -1.71 0.00 0.00 66.02 62.07 1noi s SER 663 CO 0.02 -0.05 0.34 -1.61 1.20 0.00 0.00 173.24 173.14 1noi s GLU 664 N 1.74 2.98 -0.56 5.44 0.41 -1.03 -0.72 118.70 126.97 1noi s GLU 664 Ca 0.07 -1.08 0.07 0.00 -0.41 0.00 0.00 54.97 53.62 1noi s GLU 664 Cb -0.16 -4.02 0.25 0.00 -1.78 0.00 0.00 34.13 28.42 1noi s GLU 664 CO 0.11 -0.83 0.68 1.04 -0.49 0.00 0.00 175.26 175.77 1noi n GLN 665 N 5.21 1.97 -1.12 1.61 1.13 -0.42 -4.80 117.38 120.96 1noi n GLN 665 Ca -0.11 -4.23 -0.17 0.00 -1.94 0.00 0.00 57.00 50.55 1noi n GLN 665 Cb 0.46 -1.94 0.17 0.00 0.11 0.00 0.00 30.24 29.04 1noi n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1noi n ILE 666 N 1.03 2.95 -1.30 5.09 -5.35 -1.26 -2.74 119.36 117.78 1noi n ILE 666 Ca 0.27 -2.55 -0.32 0.00 -0.27 0.00 0.00 62.75 59.88 1noi n ILE 666 Cb 0.45 -0.54 0.09 0.00 -1.74 0.00 0.00 39.64 37.90 1noi n ILE 666 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1noi s SER 667 N -2.04 4.35 0.33 7.28 1.04 -1.26 -4.64 113.70 118.76 1noi s SER 667 Ca 0.52 1.97 -0.29 0.00 0.48 0.00 0.00 55.95 58.64 1noi s SER 667 Cb 0.45 -2.54 -0.11 0.00 0.10 0.00 0.00 66.02 63.92 1noi s SER 667 CO 0.04 -2.14 1.49 -0.89 0.98 0.00 0.00 173.24 172.72 1noi s THR 668 N -2.65 2.23 0.31 2.02 2.01 -1.06 -4.69 115.64 113.81 1noi s THR 668 Ca 0.65 0.21 -0.29 0.00 0.31 0.00 0.00 61.69 62.57 1noi s THR 668 Cb -0.20 -3.14 -0.10 0.00 0.01 0.00 0.00 72.50 69.07 1noi s THR 668 CO 0.52 0.04 1.39 0.00 -0.69 0.00 0.00 174.62 175.88 1noi s ALA 669 N -0.64 3.56 0.00 7.40 0.00 -1.26 -2.23 121.76 128.58 1noi s ALA 669 Ca 0.56 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.87 1noi s ALA 669 Cb -0.45 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.14 1noi s ALA 669 CO 0.55 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1noi n GLY 670 N 1.24 0.64 0.07 0.00 0.00 -1.26 -4.67 105.19 101.22 1noi n GLY 670 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 1noi n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1noi n THR 671 N -2.69 0.95 -3.09 2.61 -2.24 -0.95 -4.93 114.28 103.94 1noi n THR 671 Ca 0.00 -0.64 -0.42 0.00 -2.27 0.00 0.00 64.05 60.72 1noi n THR 671 Cb 0.00 -0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 67.68 1noi n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1noi s GLU 672 N -2.49 3.73 0.26 -0.78 2.56 -1.26 -4.73 118.70 115.99 1noi s GLU 672 Ca -0.08 0.14 -0.02 0.00 0.00 0.00 0.00 54.97 55.01 1noi s GLU 672 Cb 0.06 -3.79 0.34 0.00 2.00 0.00 0.00 34.13 32.73 1noi s GLU 672 CO 0.66 -0.71 1.79 0.00 -0.56 0.00 0.00 175.26 176.44 1noi h ALA 673 N 8.40 1.14 0.00 6.30 0.00 -1.92 -3.05 119.26 130.14 1noi h ALA 673 Ca -0.26 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1noi h ALA 673 Cb 1.11 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1noi h ALA 673 CO 0.84 0.57 0.00 0.45 0.00 0.00 0.00 179.25 181.11 1noi n SER 674 N -4.25 -2.04 0.00 0.00 2.88 -1.26 -4.21 113.62 104.74 1noi n SER 674 Ca 0.04 0.66 0.00 0.00 -1.33 0.00 0.00 58.87 58.23 1noi n SER 674 Cb 0.25 2.02 0.00 0.00 -0.75 0.00 0.00 64.21 65.73 1noi n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1noi n GLY 675 N 0.07 0.03 0.00 0.46 0.00 -1.26 -0.91 105.19 103.57 1noi n GLY 675 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1noi n GLY 675 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1noi n THR 676 N 0.29 0.00 -0.08 2.61 -1.04 -1.26 -4.79 114.28 110.02 1noi n THR 676 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 1noi n THR 676 Cb 0.00 0.00 0.50 0.00 -1.82 0.00 0.00 70.33 69.01 1noi n THR 676 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1noi h GLY 677 N 0.00 0.57 1.23 3.41 0.00 -1.96 -1.64 103.07 104.69 1noi h GLY 677 Ca 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 1noi h GLY 677 CO 0.00 0.10 0.28 3.45 0.00 0.00 0.00 176.54 180.37 1noi h ASN 678 N 0.41 0.90 0.12 0.19 -1.07 -1.94 -1.41 115.58 112.77 1noi h ASN 678 Ca 0.27 -0.12 -0.17 0.00 0.07 0.00 0.00 56.30 56.35 1noi h ASN 678 Cb 0.53 -0.23 -0.01 0.00 -2.07 0.00 0.00 38.32 36.54 1noi h ASN 678 CO -0.07 0.80 -0.63 0.24 0.07 0.00 0.00 177.43 177.84 1noi h MET 679 N 0.97 0.49 -0.26 4.14 2.86 -1.64 -2.61 114.93 118.87 1noi h MET 679 Ca 0.23 -0.35 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 1noi h MET 679 Cb 0.17 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1noi h MET 679 CO -0.02 0.96 -0.01 0.87 1.06 0.00 0.00 176.91 179.77 1noi h LYS 680 N 0.36 0.47 -0.86 1.72 1.57 -0.66 -2.17 116.57 117.01 1noi h LYS 680 Ca -0.01 -0.16 0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1noi h LYS 680 Cb 1.18 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.39 1noi h LYS 680 CO 0.11 0.64 0.52 0.74 -0.57 0.00 0.00 179.45 180.90 1noi h PHE 681 N 0.24 0.96 -0.46 -1.35 0.04 -1.45 -2.89 116.94 112.04 1noi h PHE 681 Ca 0.07 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 1noi h PHE 681 Cb 0.44 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 1noi h PHE 681 CO 0.04 0.47 0.20 1.98 -0.60 0.00 0.00 178.31 180.40 1noi h MET 682 N 0.94 0.67 0.00 1.51 4.05 -1.15 -2.02 114.93 118.92 1noi h MET 682 Ca 0.38 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 59.69 1noi h MET 682 Cb 0.22 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 30.91 1noi h MET 682 CO -0.19 0.59 0.00 1.25 0.23 0.00 0.00 176.91 178.79 1noi h LEU 683 N 0.59 0.00 -3.30 3.39 6.46 -1.32 -3.27 115.31 117.86 1noi h LEU 683 Ca 0.15 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.91 1noi h LEU 683 Cb 0.16 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.09 1noi h LEU 683 CO -0.02 0.00 0.00 0.59 -0.62 0.00 0.00 178.44 178.40 1noi n ASN 684 N -2.32 4.12 0.00 1.25 3.02 -0.80 -4.92 115.26 115.60 1noi n ASN 684 Ca 0.03 -3.02 0.00 0.00 -0.03 0.00 0.00 54.58 51.56 1noi n ASN 684 Cb 0.31 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 1noi n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1noi n GLY 685 N -0.38 0.58 3.78 7.41 0.00 -1.20 -4.81 105.19 110.58 1noi n GLY 685 Ca 0.22 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 1noi n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1noi s ALA 686 N -2.00 3.58 0.35 4.61 0.00 -0.97 -4.82 121.76 122.51 1noi s ALA 686 Ca 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 1noi s ALA 686 Cb 0.00 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 1noi s ALA 686 CO 0.00 0.72 0.61 -0.51 0.00 0.00 0.00 175.76 176.58 1noi s LEU 687 N -2.49 3.94 -0.26 0.00 1.43 0.14 -4.52 118.68 116.92 1noi s LEU 687 Ca 0.30 0.69 -0.09 0.00 -1.03 0.00 0.00 54.13 54.00 1noi s LEU 687 Cb -0.12 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 1noi s LEU 687 CO 0.22 -0.32 0.12 -0.89 0.23 0.00 0.00 176.35 175.71 1noi s THR 688 N -2.32 4.72 -0.29 5.49 2.01 -1.26 -0.11 115.64 123.88 1noi s THR 688 Ca 0.44 -0.03 -0.12 0.00 0.31 0.00 0.00 61.69 62.28 1noi s THR 688 Cb -0.10 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 1noi s THR 688 CO 0.35 0.30 0.23 -0.51 -0.69 0.00 0.00 174.62 174.30 1noi s ILE 689 N 1.66 5.28 0.23 1.82 2.07 0.10 -1.64 121.20 130.73 1noi s ILE 689 Ca 0.07 0.16 -0.19 0.00 -1.41 0.00 0.00 60.65 59.27 1noi s ILE 689 Cb -0.15 -3.59 0.03 0.00 0.13 0.00 0.00 42.46 38.88 1noi s ILE 689 CO 0.07 0.19 0.61 -0.83 -1.91 0.00 0.00 174.94 173.06 1noi s GLY 690 N 1.74 -0.11 0.61 1.50 0.00 -0.30 -1.30 107.32 109.45 1noi s GLY 690 Ca 0.08 -0.21 -0.05 0.00 0.00 0.00 0.00 44.72 44.55 1noi s GLY 690 CO 0.11 -0.16 0.90 -0.51 0.00 0.00 0.00 173.10 173.44 1noi s THR 691 N -3.89 3.07 -1.42 0.90 -4.23 -1.11 -2.26 115.64 106.71 1noi s THR 691 Ca 0.10 -0.23 -0.13 0.00 -1.18 0.00 0.00 61.69 60.25 1noi s THR 691 Cb -0.03 -3.24 0.06 0.00 1.34 0.00 0.00 72.50 70.64 1noi s THR 691 CO 0.01 -0.23 2.15 0.23 -0.54 0.00 0.00 174.62 176.24 1noi n MET 692 N -2.62 2.99 -4.15 3.99 2.81 -1.26 -4.68 117.12 114.19 1noi n MET 692 Ca 0.06 -2.78 -0.16 0.00 -1.81 0.00 0.00 57.70 53.01 1noi n MET 692 Cb 0.59 -3.24 -0.12 0.00 -0.71 0.00 0.00 33.22 29.74 1noi n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1noi s ASP 693 N 2.85 1.32 0.89 7.83 2.15 -1.26 -4.63 116.67 125.81 1noi s ASP 693 Ca 0.46 -0.56 0.00 0.00 0.43 0.00 0.00 52.55 52.88 1noi s ASP 693 Cb 0.13 -0.02 0.00 0.00 -0.30 0.00 0.00 42.92 42.73 1noi s ASP 693 CO -0.07 -0.11 0.00 0.61 -0.17 0.00 0.00 175.17 175.43 1noi n GLY 694 N 1.47 2.42 0.00 2.66 0.00 -1.15 -1.47 105.19 109.12 1noi n GLY 694 Ca -0.21 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.52 1noi n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1noi n ALA 695 N 7.72 2.23 -0.16 4.61 0.00 -0.09 -3.24 120.51 131.58 1noi n ALA 695 Ca 0.00 -0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.41 1noi n ALA 695 Cb 0.00 -1.40 0.39 0.00 0.00 0.00 0.00 19.45 18.44 1noi n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1noi h ASN 696 N 0.00 0.60 0.08 0.00 4.21 -1.46 -1.50 115.58 117.51 1noi h ASN 696 Ca 0.00 0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.51 1noi h ASN 696 Cb 0.25 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 1noi h ASN 696 CO 0.00 0.38 -0.04 0.58 -1.29 0.00 0.00 177.43 177.06 1noi h VAL 697 N 0.67 0.92 0.00 2.81 2.07 -1.65 -1.11 116.25 119.97 1noi h VAL 697 Ca 0.31 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.74 1noi h VAL 697 Cb 0.33 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1noi h VAL 697 CO -0.10 0.00 -0.42 -0.33 0.02 0.00 0.00 177.57 176.73 1noi h GLU 698 N -0.11 0.00 -0.02 1.57 5.08 -1.61 -2.15 114.58 117.34 1noi h GLU 698 Ca -0.01 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 1noi h GLU 698 Cb 0.08 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.34 1noi h GLU 698 CO 0.02 0.42 -0.61 0.52 -1.00 0.00 0.00 179.01 178.37 1noi h MET 699 N 0.00 0.45 -0.59 2.33 2.86 -1.09 -2.84 114.93 116.04 1noi h MET 699 Ca -0.00 -0.45 -0.02 0.00 -2.06 0.00 0.00 59.70 57.16 1noi h MET 699 Cb 0.86 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.61 1noi h MET 699 CO 0.06 1.10 0.30 0.00 1.06 0.00 0.00 176.91 179.43 1noi h ALA 700 N 0.36 0.76 -0.56 6.32 0.00 -1.12 -0.25 119.26 124.77 1noi h ALA 700 Ca -0.07 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 54.84 1noi h ALA 700 Cb 1.30 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1noi h ALA 700 CO 0.12 0.31 0.38 1.49 0.00 0.00 0.00 179.25 181.56 1noi h GLU 701 N 0.81 0.21 0.15 0.00 4.81 -1.45 0.58 114.58 119.68 1noi h GLU 701 Ca 0.21 -0.01 -0.26 0.00 -0.13 0.00 0.00 59.36 59.17 1noi h GLU 701 Cb 0.10 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.44 1noi h GLU 701 CO -0.03 0.14 -1.23 0.93 -0.73 0.00 0.00 179.01 178.09 1noi h GLU 702 N 0.21 0.31 0.00 1.92 4.39 -1.14 -3.34 114.58 116.93 1noi h GLU 702 Ca 0.26 -0.53 -0.07 0.00 0.34 0.00 0.00 59.36 59.36 1noi h GLU 702 Cb 0.76 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 1noi h GLU 702 CO -0.05 1.25 -0.52 0.00 -1.16 0.00 0.00 179.01 178.53 1noi h ALA 703 N 0.03 0.74 0.00 3.43 0.00 -0.92 -3.47 119.26 119.08 1noi h ALA 703 Ca -0.24 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1noi h ALA 703 Cb 1.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1noi h ALA 703 CO 0.13 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1noi n GLY 704 N 1.21 1.18 0.42 0.00 0.00 0.20 -4.55 105.19 103.65 1noi n GLY 704 Ca 0.01 -1.35 0.25 0.00 0.00 0.00 0.00 46.02 44.92 1noi n GLY 704 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1noi h GLU 705 N 0.00 0.33 -0.05 1.61 5.08 -1.76 0.17 114.58 119.95 1noi h GLU 705 Ca 0.00 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1noi h GLU 705 Cb 0.00 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1noi h GLU 705 CO 0.00 0.22 0.12 0.93 -1.00 0.00 0.00 179.01 179.28 1noi h GLU 706 N 0.34 0.00 -0.42 2.33 3.07 -1.88 -2.74 114.58 115.28 1noi h GLU 706 Ca 0.61 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 59.33 1noi h GLU 706 Cb 1.64 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 29.47 1noi h GLU 706 CO -0.29 0.00 0.06 0.09 -1.40 0.00 0.00 179.01 177.47 1noi n ASN 707 N -3.37 3.47 -3.82 1.42 3.02 0.58 -4.93 115.26 111.63 1noi n ASN 707 Ca -0.02 -3.38 -0.12 0.00 -0.03 0.00 0.00 54.58 51.03 1noi n ASN 707 Cb 0.20 -0.63 -0.13 0.00 -0.61 0.00 0.00 39.78 38.61 1noi n ASN 707 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1noi s PHE 708 N -3.05 -0.16 -1.14 3.10 5.36 -1.03 -4.83 117.98 116.22 1noi s PHE 708 Ca 0.46 0.39 -0.13 0.00 -0.96 0.00 0.00 56.93 56.70 1noi s PHE 708 Cb 0.39 0.05 0.21 0.00 -0.34 0.00 0.00 43.02 43.33 1noi s PHE 708 CO 0.06 -0.08 1.28 -0.06 -1.46 0.00 0.00 175.22 174.96 1noi s PHE 709 N 0.11 3.74 0.33 10.12 0.08 -0.65 -4.96 117.98 126.75 1noi s PHE 709 Ca -0.00 -2.27 -0.25 0.00 0.12 0.00 0.00 56.93 54.53 1noi s PHE 709 Cb -0.01 -4.14 -0.10 0.00 -0.57 0.00 0.00 43.02 38.20 1noi s PHE 709 CO 0.00 -1.24 0.94 0.42 -0.10 0.00 0.00 175.22 175.24 1noi s ILE 710 N 0.66 4.24 0.34 0.64 -1.09 -1.26 -1.15 121.20 123.57 1noi s ILE 710 Ca 0.37 1.77 -0.08 0.00 -2.23 0.00 0.00 60.65 60.48 1noi s ILE 710 Cb -0.06 -3.97 0.02 0.00 -1.58 0.00 0.00 42.46 36.87 1noi s ILE 710 CO -0.04 0.10 0.57 0.72 -1.23 0.00 0.00 174.94 175.06 1noi s PHE 711 N -1.66 0.67 0.14 3.97 -0.71 -0.96 -4.91 117.98 114.53 1noi s PHE 711 Ca 0.51 -1.05 0.00 0.00 -1.04 0.00 0.00 56.93 55.35 1noi s PHE 711 Cb -0.18 0.23 0.00 0.00 -1.21 0.00 0.00 43.02 41.86 1noi s PHE 711 CO 0.23 -1.23 0.00 0.41 -1.34 0.00 0.00 175.22 173.28 1noi n GLY 712 N -0.52 -1.54 3.76 1.99 0.00 -1.26 -4.38 105.19 103.23 1noi n GLY 712 Ca -0.02 -1.14 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 1noi n GLY 712 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1noi n MET 713 N -2.73 2.61 -2.78 1.61 1.56 -1.26 -4.87 117.12 111.25 1noi n MET 713 Ca 0.00 0.92 -0.22 0.00 -0.27 0.00 0.00 57.70 58.14 1noi n MET 713 Cb 0.28 -2.64 0.08 0.00 2.15 0.00 0.00 33.22 33.09 1noi n MET 713 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 1noi s ARG 714 N -1.65 2.03 0.29 2.12 0.52 -1.26 -4.48 118.95 116.53 1noi s ARG 714 Ca 0.56 -1.30 0.01 0.00 -0.52 0.00 0.00 55.73 54.49 1noi s ARG 714 Cb -0.50 -2.48 0.45 0.00 0.52 0.00 0.00 34.95 32.95 1noi s ARG 714 CO 0.60 -1.12 1.81 0.28 0.02 0.00 0.00 175.30 176.89 1noi h VAL 715 N -0.16 1.22 -0.25 3.52 2.07 -1.86 -1.78 116.25 119.02 1noi h VAL 715 Ca -0.34 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 1noi h VAL 715 Cb 1.28 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1noi h VAL 715 CO 0.41 0.32 0.12 -0.08 0.02 0.00 0.00 177.57 178.36 1noi h GLU 716 N 0.64 0.36 -0.63 1.57 4.22 -1.95 0.10 114.58 118.89 1noi h GLU 716 Ca 0.13 -0.05 -0.07 0.00 0.08 0.00 0.00 59.36 59.44 1noi h GLU 716 Cb 0.39 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1noi h GLU 716 CO 0.01 0.36 0.11 -0.44 -2.18 0.00 0.00 179.01 176.87 1noi h ASP 717 N 0.27 0.97 -0.50 1.04 3.32 -1.81 -1.27 116.42 118.45 1noi h ASP 717 Ca 0.09 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 1noi h ASP 717 Cb 0.12 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1noi h ASP 717 CO -0.01 0.97 0.23 0.58 -1.72 0.00 0.00 179.24 179.29 1noi h VAL 718 N 0.96 1.20 -0.71 -1.35 2.07 -1.12 -1.59 116.25 115.71 1noi h VAL 718 Ca 0.19 -0.57 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1noi h VAL 718 Cb 0.41 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1noi h VAL 718 CO 0.01 0.22 0.28 0.44 0.02 0.00 0.00 177.57 178.55 1noi h ASP 719 N 0.67 0.98 0.63 0.57 5.19 -0.66 -2.47 116.42 121.33 1noi h ASP 719 Ca 0.17 -0.17 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 1noi h ASP 719 Cb 0.14 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.39 1noi h ASP 719 CO -0.02 0.88 -0.41 0.03 -3.12 0.00 0.00 179.24 176.60 1noi h ARG 720 N 1.01 -0.95 -0.34 3.56 2.47 -0.92 -1.51 114.38 117.71 1noi h ARG 720 Ca 0.24 0.06 0.10 0.00 -1.26 0.00 0.00 59.98 59.12 1noi h ARG 720 Cb 0.21 0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 1noi h ARG 720 CO -0.02 -0.63 0.46 1.25 0.56 0.00 0.00 179.97 181.59 1noi h LEU 721 N -0.99 0.00 0.07 3.04 5.85 -1.24 0.40 115.31 122.45 1noi h LEU 721 Ca -0.08 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1noi h LEU 721 Cb 0.80 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1noi h LEU 721 CO 0.07 0.00 -0.04 0.44 -0.34 0.00 0.00 178.44 178.57 1noi h ASP 722 N 0.00 -0.08 1.16 1.25 3.32 -0.80 -1.89 116.42 119.37 1noi h ASP 722 Ca 0.16 -0.44 -0.03 0.00 0.02 0.00 0.00 57.03 56.74 1noi h ASP 722 Cb 1.08 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 1noi h ASP 722 CO -0.00 0.43 -0.12 1.56 -1.72 0.00 0.00 179.24 179.38 1noi h GLN 723 N -0.62 0.00 -0.01 3.56 4.20 -0.50 -2.47 115.11 119.26 1noi h GLN 723 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1noi h GLN 723 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1noi h GLN 723 CO 0.02 0.12 -0.20 2.89 -0.67 0.00 0.00 178.83 180.99 1noi n ARG 724 N -3.22 1.25 -0.23 1.46 1.85 -0.70 -5.04 116.66 112.02 1noi n ARG 724 Ca 0.01 -0.82 0.00 0.00 -1.00 0.00 0.00 57.85 56.04 1noi n ARG 724 Cb 0.42 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.34 1noi n ARG 724 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1noi n GLY 725 N 1.31 -2.39 3.64 2.89 0.00 -0.72 -4.96 105.19 104.96 1noi n GLY 725 Ca 0.14 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 1noi n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1noi s TYR 726 N -0.31 3.31 -0.25 1.61 5.04 -1.17 -4.88 117.35 120.71 1noi s TYR 726 Ca 0.00 0.86 0.02 0.00 -2.44 0.00 0.00 57.07 55.51 1noi s TYR 726 Cb 0.00 -2.84 0.06 0.00 0.35 0.00 0.00 41.96 39.53 1noi s TYR 726 CO 0.00 -0.29 -0.08 1.21 -1.34 0.00 0.00 175.55 175.05 1noi s ASN 727 N 1.39 4.12 0.36 4.32 3.04 -1.26 -4.98 114.94 121.93 1noi s ASN 727 Ca 0.27 -1.28 0.27 0.00 0.04 0.00 0.00 52.86 52.17 1noi s ASN 727 Cb -0.16 -1.35 1.17 0.00 -1.54 0.00 0.00 41.25 39.37 1noi s ASN 727 CO 0.09 -0.21 1.81 0.00 -3.04 0.00 0.00 177.10 175.74 1noi h ALA 728 N 7.87 1.00 -0.14 1.71 0.00 -1.87 -2.50 119.26 125.34 1noi h ALA 728 Ca -0.19 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 1noi h ALA 728 Cb 1.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1noi h ALA 728 CO 0.44 0.00 -0.55 0.37 0.00 0.00 0.00 179.25 179.50 1noi h GLN 729 N 0.00 0.41 0.00 0.00 5.75 -1.93 -2.72 115.11 116.62 1noi h GLN 729 Ca 0.00 -0.26 -0.02 0.00 -0.15 0.00 0.00 58.65 58.22 1noi h GLN 729 Cb 0.35 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.93 1noi h GLN 729 CO 0.00 0.85 -0.08 1.05 -2.65 0.00 0.00 178.83 178.00 1noi h GLU 730 N 0.31 0.00 -0.10 1.69 4.11 -1.87 0.65 114.58 119.37 1noi h GLU 730 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.30 1noi h GLU 730 Cb 1.07 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.32 1noi h GLU 730 CO 0.10 0.08 -0.46 1.88 0.07 0.00 0.00 179.01 180.68 1noi h TYR 731 N 0.00 0.66 -0.89 2.06 0.05 -1.66 -2.48 116.97 114.71 1noi h TYR 731 Ca -0.00 -0.28 0.09 0.00 0.05 0.00 0.00 58.73 58.59 1noi h TYR 731 Cb 0.44 -0.10 -0.07 0.00 1.01 0.00 0.00 36.73 38.00 1noi h TYR 731 CO 0.00 1.05 0.53 -0.92 -1.05 0.00 0.00 178.16 177.77 1noi h TYR 732 N 0.07 0.97 -0.12 4.88 5.03 -0.62 -1.13 116.97 126.06 1noi h TYR 732 Ca -0.03 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.25 1noi h TYR 732 Cb 1.10 -0.31 -0.00 0.00 1.55 0.00 0.00 36.73 39.07 1noi h TYR 732 CO 0.11 0.42 -0.16 -0.44 -1.32 0.00 0.00 178.16 176.77 1noi h ASP 733 N 0.90 0.35 0.75 -2.11 3.32 -1.28 -3.23 116.42 115.11 1noi h ASP 733 Ca 0.42 -0.52 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1noi h ASP 733 Cb 0.34 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1noi h ASP 733 CO -0.23 0.80 -0.03 -2.11 -1.72 0.00 0.00 179.24 175.94 1noi n ARG 734 N -4.56 0.23 -3.94 3.56 1.85 -0.65 -4.72 116.66 108.44 1noi n ARG 734 Ca -0.07 -0.02 -0.31 0.00 -1.00 0.00 0.00 57.85 56.46 1noi n ARG 734 Cb 0.38 -1.50 -0.15 0.00 -1.05 0.00 0.00 32.46 30.14 1noi n ARG 734 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1noi s ILE 735 N -2.78 1.71 0.18 8.89 1.01 -0.52 -5.03 121.20 124.66 1noi s ILE 735 Ca 0.21 -1.70 -0.13 0.00 0.00 0.00 0.00 60.65 59.04 1noi s ILE 735 Cb 0.20 -2.13 0.09 0.00 0.01 0.00 0.00 42.46 40.62 1noi s ILE 735 CO 0.50 -0.40 1.81 -0.65 0.00 0.00 0.00 174.94 176.21 1noi h PRO 736 N 7.84 0.81 -0.05 2.79 0.11 -1.84 -1.39 132.00 140.27 1noi h PRO 736 Ca -0.12 -0.08 -0.10 0.00 0.11 0.00 0.00 66.00 65.82 1noi h PRO 736 Cb 1.04 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 1noi h PRO 736 CO 0.47 0.59 -0.42 0.93 -0.21 0.00 0.00 178.00 179.36 1noi h GLU 737 N 0.80 0.12 0.26 1.05 3.07 -1.96 0.15 114.58 118.08 1noi h GLU 737 Ca 0.21 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.01 1noi h GLU 737 Cb -0.01 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1noi h GLU 737 CO -0.04 0.52 -0.12 1.25 -1.40 0.00 0.00 179.01 179.21 1noi h LEU 738 N 0.10 -0.30 -0.74 1.33 5.85 -1.82 0.17 115.31 119.91 1noi h LEU 738 Ca 0.01 -0.08 0.13 0.00 0.84 0.00 0.00 57.88 58.78 1noi h LEU 738 Cb 0.78 0.08 -0.13 0.00 0.37 0.00 0.00 40.66 41.75 1noi h LEU 738 CO 0.06 -0.11 -0.32 -0.09 -0.34 0.00 0.00 178.44 177.64 1noi h ARG 739 N -0.47 -0.08 -0.18 1.25 2.43 -0.98 -0.06 114.38 116.28 1noi h ARG 739 Ca -0.04 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1noi h ARG 739 Cb 0.35 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1noi h ARG 739 CO 0.06 -0.06 0.08 0.37 -1.51 0.00 0.00 179.97 178.91 1noi h GLN 740 N -0.09 0.17 -0.58 0.20 4.15 -0.27 -2.63 115.11 116.06 1noi h GLN 740 Ca 0.29 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.71 1noi h GLN 740 Cb 0.57 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.19 1noi h GLN 740 CO -0.79 0.11 0.39 0.82 -1.93 0.00 0.00 178.83 177.43 1noi h ILE 741 N 0.17 1.14 -0.87 2.39 2.04 0.11 -2.47 117.51 120.02 1noi h ILE 741 Ca 0.08 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1noi h ILE 741 Cb 0.03 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.36 1noi h ILE 741 CO -0.07 0.14 0.51 0.40 0.00 0.00 0.00 178.15 179.14 1noi h ILE 742 N 0.79 1.24 0.00 -0.67 1.08 -0.99 -0.31 117.51 118.65 1noi h ILE 742 Ca 0.22 -0.55 -0.12 0.00 -0.39 0.00 0.00 64.86 64.01 1noi h ILE 742 Cb -0.08 0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 33.68 1noi h ILE 742 CO -0.05 0.26 -0.57 -0.33 -0.69 0.00 0.00 178.15 176.77 1noi h GLU 743 N 1.20 0.00 -0.55 2.37 4.39 -1.11 0.88 114.58 121.76 1noi h GLU 743 Ca 0.31 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.93 1noi h GLU 743 Cb -0.03 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 1noi h GLU 743 CO -0.06 0.55 0.03 1.96 -1.16 0.00 0.00 179.01 180.34 1noi h GLN 744 N 0.00 0.94 -0.16 2.33 4.20 -0.91 0.75 115.11 122.26 1noi h GLN 744 Ca -0.01 -0.28 0.04 0.00 0.06 0.00 0.00 58.65 58.45 1noi h GLN 744 Cb 1.43 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 29.08 1noi h GLN 744 CO 0.07 0.94 -0.07 -0.07 -0.67 0.00 0.00 178.83 179.03 1noi h LEU 745 N 0.82 -0.24 -0.32 1.46 3.38 -0.82 -1.77 115.31 117.82 1noi h LEU 745 Ca 0.16 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1noi h LEU 745 Cb 0.49 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1noi h LEU 745 CO 0.02 -0.10 0.13 0.28 0.09 0.00 0.00 178.44 178.87 1noi h SER 746 N -0.05 0.44 0.00 -0.43 0.02 -0.42 -3.22 113.55 109.89 1noi h SER 746 Ca 0.09 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1noi h SER 746 Cb 0.18 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1noi h SER 746 CO -0.19 0.49 0.00 -1.54 -1.14 0.00 0.00 176.83 174.44 1noi n SER 747 N -4.72 0.02 -0.95 3.07 3.41 0.26 -4.58 113.62 110.13 1noi n SER 747 Ca -0.02 -1.67 -0.11 0.00 -0.26 0.00 0.00 58.87 56.82 1noi n SER 747 Cb 0.13 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 1noi n SER 747 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1noi n GLY 748 N 0.33 0.84 0.30 5.00 0.00 -1.09 -4.92 105.19 105.65 1noi n GLY 748 Ca 0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 1noi n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1noi h PHE 749 N 0.00 -0.76 0.00 1.61 3.57 -1.57 -0.64 116.94 119.15 1noi h PHE 749 Ca -0.23 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.22 1noi h PHE 749 Cb 0.85 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 1noi h PHE 749 CO 0.30 -0.37 -0.38 0.74 -2.23 0.00 0.00 178.31 176.37 1noi h PHE 750 N -0.37 0.00 -2.14 0.41 0.04 -1.89 -3.32 116.94 109.67 1noi h PHE 750 Ca 0.09 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.27 1noi h PHE 750 Cb 0.51 0.00 -0.41 0.00 2.20 0.00 0.00 35.95 38.24 1noi h PHE 750 CO -0.36 0.38 -0.75 -1.13 -0.60 0.00 0.00 178.31 175.86 1noi n SER 751 N -3.25 2.79 0.20 2.17 3.41 -1.00 -4.80 113.62 113.14 1noi n SER 751 Ca 0.02 -3.25 0.05 0.00 -0.26 0.00 0.00 58.87 55.42 1noi n SER 751 Cb 0.65 -0.65 0.47 0.00 -0.26 0.00 0.00 64.21 64.42 1noi n SER 751 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1noi h PRO 752 N 4.01 0.06 0.00 4.33 0.13 -1.23 -0.11 132.00 139.19 1noi h PRO 752 Ca 0.16 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1noi h PRO 752 Cb 0.72 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1noi h PRO 752 CO 0.73 0.23 0.00 -0.22 -0.23 0.00 0.00 178.00 178.51 1noi h LYS 753 N 0.05 0.00 -0.85 0.86 1.63 -1.92 -3.35 116.57 113.00 1noi h LYS 753 Ca 0.01 0.00 -0.34 0.00 -0.85 0.00 0.00 60.65 59.47 1noi h LYS 753 Cb 0.34 0.00 -0.36 0.00 -0.60 0.00 0.00 32.23 31.61 1noi h LYS 753 CO 0.02 0.00 -1.06 1.04 -3.45 0.00 0.00 179.45 176.00 1noi n GLN 754 N -2.64 1.15 -0.18 1.90 3.00 -0.19 -5.06 117.38 115.37 1noi n GLN 754 Ca 0.03 -3.02 0.14 0.00 -0.01 0.00 0.00 57.00 54.14 1noi n GLN 754 Cb 0.37 -1.05 0.22 0.00 0.00 0.00 0.00 30.24 29.78 1noi n GLN 754 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 1noi n PRO 755 N -0.14 -0.00 -1.23 -1.09 -0.02 -0.42 -1.00 135.00 131.08 1noi n PRO 755 Ca 0.07 0.32 -0.23 0.00 -2.02 0.00 0.00 63.50 61.64 1noi n PRO 755 Cb 0.82 -0.70 0.14 0.00 -0.02 0.00 0.00 33.50 33.74 1noi n PRO 755 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1noi n ASP 756 N -2.75 4.70 0.03 2.55 5.68 -1.26 -2.66 116.55 122.83 1noi n ASP 756 Ca 0.12 -3.71 0.08 0.00 -0.50 0.00 0.00 54.79 50.78 1noi n ASP 756 Cb 0.53 -0.80 0.51 0.00 -1.14 0.00 0.00 41.12 40.22 1noi n ASP 756 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1noi h LEU 757 N 1.38 0.32 -3.68 -2.12 5.85 -1.39 -2.91 115.31 112.76 1noi h LEU 757 Ca 0.52 -0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.94 1noi h LEU 757 Cb 1.92 -0.07 -0.18 0.00 0.37 0.00 0.00 40.66 42.69 1noi h LEU 757 CO 1.07 0.22 0.28 0.49 -0.34 0.00 0.00 178.44 180.16 1noi n PHE 758 N -4.48 2.14 -0.18 1.25 3.72 -1.26 -4.50 117.46 114.14 1noi n PHE 758 Ca 0.04 -1.54 -0.06 0.00 -0.05 0.00 0.00 57.45 55.84 1noi n PHE 758 Cb 0.18 -0.70 0.00 0.00 -0.94 0.00 0.00 39.48 38.03 1noi n PHE 758 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1noi h LYS 759 N 1.47 -0.18 -0.36 -1.08 1.79 -1.85 -2.05 116.57 114.30 1noi h LYS 759 Ca 0.37 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.91 1noi h LYS 759 Cb 2.26 0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 32.90 1noi h LYS 759 CO 0.73 -0.12 0.06 -0.44 -1.08 0.00 0.00 179.45 178.60 1noi h ASP 760 N -0.18 -0.03 -0.18 0.86 3.32 -1.85 -2.65 116.42 115.71 1noi h ASP 760 Ca 0.22 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 1noi h ASP 760 Cb 0.55 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1noi h ASP 760 CO -0.65 0.02 -0.02 0.40 -1.72 0.00 0.00 179.24 177.28 1noi h ILE 761 N 0.17 1.27 0.37 0.35 2.04 -1.74 -2.10 117.51 117.87 1noi h ILE 761 Ca 0.17 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 1noi h ILE 761 Cb 0.21 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1noi h ILE 761 CO -0.24 0.28 -0.19 0.58 0.00 0.00 0.00 178.15 178.57 1noi h VAL 762 N 0.07 0.61 -0.35 1.67 2.07 -1.36 0.11 116.25 119.07 1noi h VAL 762 Ca 0.05 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.60 1noi h VAL 762 Cb 0.42 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1noi h VAL 762 CO 0.01 0.00 0.23 0.78 0.02 0.00 0.00 177.57 178.61 1noi h ASN 763 N -0.52 0.30 -0.04 0.57 2.35 -1.50 0.19 115.58 116.93 1noi h ASN 763 Ca -0.05 -0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.47 1noi h ASN 763 Cb 0.40 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 38.72 1noi h ASN 763 CO 0.07 0.20 -0.85 -0.03 -1.65 0.00 0.00 177.43 175.18 1noi h MET 764 N 0.34 0.71 -0.03 0.81 4.05 -0.81 0.20 114.93 120.20 1noi h MET 764 Ca 0.14 -0.63 -0.00 0.00 -0.28 0.00 0.00 59.70 58.93 1noi h MET 764 Cb 0.14 0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 31.09 1noi h MET 764 CO -0.03 1.24 0.01 -0.07 0.23 0.00 0.00 176.91 178.28 1noi h LEU 765 N 0.46 0.04 -0.06 3.39 4.07 0.10 -0.02 115.31 123.29 1noi h LEU 765 Ca -0.07 -0.21 -0.14 0.00 0.08 0.00 0.00 57.88 57.53 1noi h LEU 765 Cb 1.48 -0.01 0.01 0.00 1.08 0.00 0.00 40.66 43.22 1noi h LEU 765 CO 0.17 0.25 -0.51 0.24 -1.08 0.00 0.00 178.44 177.50 1noi h MET 766 N -0.16 0.45 0.00 1.13 2.86 -1.11 -3.40 114.93 114.70 1noi h MET 766 Ca 0.01 -0.41 -0.16 0.00 -2.06 0.00 0.00 59.70 57.08 1noi h MET 766 Cb 0.22 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 1noi h MET 766 CO -0.00 1.05 -2.02 0.72 1.06 0.00 0.00 176.91 177.72 1noi n HIS 767 N -4.26 0.00 -2.73 -0.22 8.25 0.69 -4.22 115.22 112.73 1noi n HIS 767 Ca -0.09 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.30 1noi n HIS 767 Cb 0.61 -0.64 0.06 0.00 1.12 0.00 0.00 29.99 31.14 1noi n HIS 767 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1noi n HIS 768 N -2.39 -2.73 -3.50 4.41 -0.00 -0.09 -5.00 115.22 105.91 1noi n HIS 768 Ca -0.16 -1.53 -0.42 0.00 -0.00 0.00 0.00 57.72 55.61 1noi n HIS 768 Cb 0.78 1.47 -0.10 0.00 -0.00 0.00 0.00 29.99 32.13 1noi n HIS 768 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1noi s ASP 769 N -1.38 6.00 0.49 4.39 2.15 -0.76 -4.80 116.67 122.76 1noi s ASP 769 Ca 0.30 -0.93 0.29 0.00 0.43 0.00 0.00 52.55 52.64 1noi s ASP 769 Cb 0.23 -2.12 0.91 0.00 -0.30 0.00 0.00 42.92 41.64 1noi s ASP 769 CO -0.21 -0.43 1.82 0.03 -0.17 0.00 0.00 175.17 176.20 1noi h ARG 770 N 8.57 0.00 -0.17 4.34 3.08 -1.97 -3.29 114.38 124.94 1noi h ARG 770 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1noi h ARG 770 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 1noi h ARG 770 CO 0.71 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.80 1noi n PHE 771 N -3.06 0.21 -3.65 3.04 3.72 -1.26 -5.01 117.46 111.46 1noi n PHE 771 Ca 0.02 -0.16 -0.21 0.00 -0.05 0.00 0.00 57.45 57.05 1noi n PHE 771 Cb 0.40 -0.01 0.04 0.00 -0.94 0.00 0.00 39.48 38.98 1noi n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1noi n LYS 772 N 0.93 -4.58 0.20 -1.08 5.02 -1.24 -4.66 118.16 112.75 1noi n LYS 772 Ca 0.12 0.64 -0.17 0.00 -2.02 0.00 0.00 58.31 56.88 1noi n LYS 772 Cb 0.44 -5.19 -0.09 0.00 -0.02 0.00 0.00 35.03 30.16 1noi n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1noi h VAL 773 N -1.82 0.05 -0.50 -0.18 2.07 -1.93 -1.57 116.25 112.37 1noi h VAL 773 Ca -0.61 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.04 1noi h VAL 773 Cb 1.35 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1noi h VAL 773 CO 0.54 0.00 0.35 -0.26 0.02 0.00 0.00 177.57 178.23 1noi h PHE 774 N -0.85 0.08 0.00 1.57 -1.00 -1.91 -0.93 116.94 113.89 1noi h PHE 774 Ca -0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.76 1noi h PHE 774 Cb 0.80 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.33 1noi h PHE 774 CO -0.34 0.03 0.00 0.00 -1.61 0.00 0.00 178.31 176.39 1noi h ALA 775 N 1.75 1.00 -0.01 2.45 0.00 -1.67 -2.28 119.26 120.50 1noi h ALA 775 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1noi h ALA 775 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1noi h ALA 775 CO -0.02 0.00 -0.08 -0.25 0.00 0.00 0.00 179.25 178.90 1noi n ASP 776 N -2.83 1.52 -0.13 0.00 8.00 -0.37 -4.74 116.55 118.00 1noi n ASP 776 Ca 0.00 -1.26 -0.05 0.00 0.71 0.00 0.00 54.79 54.19 1noi n ASP 776 Cb 0.24 0.20 0.03 0.00 -0.02 0.00 0.00 41.12 41.58 1noi n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1noi h TYR 777 N 1.51 0.29 0.52 1.24 3.20 -1.20 -2.17 116.97 120.35 1noi h TYR 777 Ca 0.00 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1noi h TYR 777 Cb 0.36 -0.07 0.01 0.00 1.54 0.00 0.00 36.73 38.57 1noi h TYR 777 CO 0.00 0.12 -0.25 0.93 -1.64 0.00 0.00 178.16 177.32 1noi h GLU 778 N 0.34 -0.67 -0.75 1.82 5.08 -1.85 -2.35 114.58 116.19 1noi h GLU 778 Ca 0.19 0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.74 1noi h GLU 778 Cb 0.16 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 1noi h GLU 778 CO -0.18 -0.41 0.50 0.93 -1.00 0.00 0.00 179.01 178.84 1noi h GLU 779 N -0.79 0.43 0.46 2.33 5.08 -1.87 -2.68 114.58 117.54 1noi h GLU 779 Ca -0.07 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1noi h GLU 779 Cb 0.58 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1noi h GLU 779 CO 0.12 0.28 -0.22 -0.92 -1.00 0.00 0.00 179.01 177.27 1noi h TYR 780 N 0.44 -0.57 -0.73 4.33 3.20 -1.28 -1.53 116.97 120.83 1noi h TYR 780 Ca 0.36 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.33 1noi h TYR 780 Cb 0.79 0.19 -0.05 0.00 1.54 0.00 0.00 36.73 39.20 1noi h TYR 780 CO -0.00 -0.35 0.48 -0.39 -1.64 0.00 0.00 178.16 176.26 1noi h VAL 781 N -0.93 0.90 0.00 1.81 -1.51 -1.35 0.39 116.25 115.56 1noi h VAL 781 Ca -0.06 -0.20 -0.00 0.00 -1.23 0.00 0.00 66.70 65.21 1noi h VAL 781 Cb 0.47 0.28 0.00 0.00 -2.13 0.00 0.00 31.29 29.91 1noi h VAL 781 CO 0.10 0.11 -0.00 0.11 -1.23 0.00 0.00 177.57 176.66 1noi h LYS 782 N 0.58 -0.00 -0.48 5.19 1.79 -1.54 -2.47 116.57 119.64 1noi h LYS 782 Ca 0.34 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.89 1noi h LYS 782 Cb 0.54 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.17 1noi h LYS 782 CO -0.12 0.36 0.33 0.00 -1.08 0.00 0.00 179.45 178.93 1noi h GLN 784 N 0.28 0.21 -0.10 0.00 1.08 -0.70 -2.32 115.11 113.56 1noi h GLN 784 Ca 0.22 -0.10 -0.08 0.00 -1.45 0.00 0.00 58.65 57.24 1noi h GLN 784 Cb 0.49 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1noi h GLN 784 CO -0.05 0.59 -0.30 0.93 -0.95 0.00 0.00 178.83 179.04 1noi h GLU 785 N 0.18 0.19 -0.04 1.46 5.08 -0.25 -2.23 114.58 118.97 1noi h GLU 785 Ca 0.02 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.17 1noi h GLU 785 Cb 0.79 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1noi h GLU 785 CO 0.06 0.49 -0.62 0.00 -1.00 0.00 0.00 179.01 177.94 1noi h ARG 786 N 0.17 0.13 -0.07 2.33 3.08 -1.23 -0.55 114.38 118.25 1noi h ARG 786 Ca 0.02 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1noi h ARG 786 Cb 0.63 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 1noi h ARG 786 CO 0.05 0.71 -0.05 0.28 -1.07 0.00 0.00 179.97 179.89 1noi h VAL 787 N 0.10 1.35 -0.58 2.04 2.07 -1.26 -2.07 116.25 117.90 1noi h VAL 787 Ca -0.01 -1.14 -0.08 0.00 0.82 0.00 0.00 66.70 66.29 1noi h VAL 787 Cb 1.12 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 1noi h VAL 787 CO 0.09 0.31 0.05 0.28 0.02 0.00 0.00 177.57 178.32 1noi h SER 788 N -0.26 0.93 0.25 0.57 0.02 -1.20 -0.70 113.55 113.17 1noi h SER 788 Ca 0.01 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1noi h SER 788 Cb 0.53 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1noi h SER 788 CO 0.01 0.96 -0.12 0.00 -1.14 0.00 0.00 176.83 176.55 1noi h ALA 789 N 1.14 -0.34 -0.99 3.77 0.00 -1.05 -2.00 119.26 119.80 1noi h ALA 789 Ca 0.17 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1noi h ALA 789 Cb 0.46 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1noi h ALA 789 CO 0.02 -0.66 0.63 1.25 0.00 0.00 0.00 179.25 180.49 1noi h LEU 790 N -0.39 0.97 -1.86 0.00 5.85 -1.31 -1.67 115.31 116.90 1noi h LEU 790 Ca -0.03 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1noi h LEU 790 Cb 0.30 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 1noi h LEU 790 CO 0.06 0.59 -0.13 0.22 -0.34 0.00 0.00 178.44 178.83 1noi h TYR 791 N 1.08 0.00 0.00 1.25 3.20 -0.43 -0.06 116.97 122.02 1noi h TYR 791 Ca 0.45 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.32 1noi h TYR 791 Cb 0.29 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1noi h TYR 791 CO -0.00 0.13 0.00 1.17 -1.64 0.00 0.00 178.16 177.82 1noi n LYS 792 N -3.90 0.11 -3.87 1.82 4.81 -0.63 -3.96 118.16 112.54 1noi n LYS 792 Ca -0.02 0.28 -0.33 0.00 -0.87 0.00 0.00 58.31 57.37 1noi n LYS 792 Cb 0.23 -1.69 -0.12 0.00 0.02 0.00 0.00 35.03 33.47 1noi n LYS 792 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1noi s ASN 793 N -3.70 4.72 0.29 3.14 3.84 -0.03 -5.00 114.94 118.20 1noi s ASN 793 Ca 0.07 -2.83 0.03 0.00 0.21 0.00 0.00 52.86 50.35 1noi s ASN 793 Cb 0.11 -1.72 0.62 0.00 -0.55 0.00 0.00 41.25 39.70 1noi s ASN 793 CO 0.40 -0.31 1.82 -0.65 -2.79 0.00 0.00 177.10 175.57 1noi h PRO 794 N 6.87 0.90 -0.21 0.43 0.11 -1.76 -0.71 132.00 137.62 1noi h PRO 794 Ca -0.06 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.88 1noi h PRO 794 Cb 0.93 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.84 1noi h PRO 794 CO 0.68 0.59 -0.33 -0.09 -0.21 0.00 0.00 178.00 178.65 1noi h ARG 795 N 0.92 0.60 -0.20 1.05 2.43 -1.94 -0.99 114.38 116.25 1noi h ARG 795 Ca 0.52 -0.36 -0.15 0.00 -0.81 0.00 0.00 59.98 59.18 1noi h ARG 795 Cb 0.62 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1noi h ARG 795 CO -0.30 0.97 -0.51 0.93 -1.51 0.00 0.00 179.97 179.55 1noi h GLU 796 N 0.28 0.54 0.35 0.20 4.39 -1.78 -0.14 114.58 118.42 1noi h GLU 796 Ca 0.02 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.39 1noi h GLU 796 Cb 0.91 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.57 1noi h GLU 796 CO 0.08 0.92 -0.41 2.35 -1.16 0.00 0.00 179.01 180.79 1noi h TRP 797 N 0.43 -1.15 -0.86 4.33 7.01 -1.07 -2.26 115.95 122.37 1noi h TRP 797 Ca 0.02 0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.14 1noi h TRP 797 Cb 1.04 0.46 -0.06 0.00 -2.10 0.00 0.00 29.16 28.49 1noi h TRP 797 CO 0.04 -0.53 0.56 1.15 -2.79 0.00 0.00 178.44 176.87 1noi h THR 798 N -0.78 0.92 -0.13 2.65 2.02 -1.11 -0.35 112.91 116.13 1noi h THR 798 Ca -0.04 -0.27 -0.06 0.00 0.77 0.00 0.00 66.41 66.81 1noi h THR 798 Cb 0.69 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1noi h THR 798 CO -0.08 0.14 -0.18 0.03 0.37 0.00 0.00 175.52 175.80 1noi h ARG 799 N 0.78 0.22 -0.05 6.66 3.08 -0.83 -0.12 114.38 124.12 1noi h ARG 799 Ca 0.41 -0.06 -0.21 0.00 0.07 0.00 0.00 59.98 60.19 1noi h ARG 799 Cb 0.50 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1noi h ARG 799 CO -0.17 0.40 -0.82 1.98 -1.07 0.00 0.00 179.97 180.29 1noi h MET 800 N 0.21 0.45 -0.50 0.04 4.05 -0.64 -2.12 114.93 116.42 1noi h MET 800 Ca 0.04 -0.41 -0.04 0.00 -0.28 0.00 0.00 59.70 59.00 1noi h MET 800 Cb 0.44 0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.32 1noi h MET 800 CO 0.03 1.06 0.15 0.28 0.23 0.00 0.00 176.91 178.66 1noi h VAL 801 N 0.29 1.23 -0.57 -5.77 2.07 0.33 -1.90 116.25 111.92 1noi h VAL 801 Ca -0.05 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 66.71 1noi h VAL 801 Cb 1.43 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 1noi h VAL 801 CO 0.15 0.28 0.35 0.40 0.02 0.00 0.00 177.57 178.77 1noi h ILE 802 N 0.67 1.08 -0.27 4.57 2.04 -0.84 0.98 117.51 125.73 1noi h ILE 802 Ca 0.16 -0.24 0.06 0.00 1.00 0.00 0.00 64.86 65.84 1noi h ILE 802 Cb 0.28 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1noi h ILE 802 CO -0.00 0.13 0.19 -0.09 0.00 0.00 0.00 178.15 178.38 1noi h ARG 803 N 0.70 0.09 0.01 2.37 9.65 -1.12 0.12 114.38 126.19 1noi h ARG 803 Ca 0.23 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.10 1noi h ARG 803 Cb 0.01 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.57 1noi h ARG 803 CO -0.09 0.06 -0.00 -0.91 2.80 0.00 0.00 179.97 181.82 1noi h ASN 804 N 0.09 -0.01 -0.45 -3.80 2.35 -0.06 -3.32 115.58 110.37 1noi h ASN 804 Ca 0.13 -0.84 -0.04 0.00 -0.55 0.00 0.00 56.30 54.99 1noi h ASN 804 Cb 0.39 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 1noi h ASN 804 CO -0.01 0.89 0.12 0.40 -1.65 0.00 0.00 177.43 177.18 1noi h ILE 805 N -0.96 1.23 0.00 2.81 2.04 -0.75 -2.49 117.51 119.39 1noi h ILE 805 Ca -0.00 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1noi h ILE 805 Cb 0.85 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1noi h ILE 805 CO 0.00 0.29 0.02 0.00 0.00 0.00 0.00 178.15 178.46 1noi h ALA 806 N 0.98 1.02 0.00 1.87 0.00 -0.93 -2.51 119.26 119.68 1noi h ALA 806 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1noi h ALA 806 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1noi h ALA 806 CO 0.00 -0.02 -0.00 -2.37 0.00 0.00 0.00 179.25 176.86 1noi n THR 807 N -2.51 1.29 1.37 0.00 5.66 -0.95 -1.79 114.28 117.35 1noi n THR 807 Ca -0.02 -1.42 0.14 0.00 -3.05 0.00 0.00 64.05 59.71 1noi n THR 807 Cb 0.07 0.25 0.65 0.00 -1.55 0.00 0.00 70.33 69.75 1noi n THR 807 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1noi n SER 808 N -0.82 0.27 -0.35 1.09 3.41 -0.94 -4.41 113.62 111.87 1noi n SER 808 Ca 0.06 -0.33 0.03 0.00 -0.26 0.00 0.00 58.87 58.37 1noi n SER 808 Cb 0.39 -0.16 0.11 0.00 -0.26 0.00 0.00 64.21 64.29 1noi n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1noi h GLY 809 N 4.98 0.52 1.22 5.00 0.00 -1.81 0.14 103.07 113.11 1noi h GLY 809 Ca 0.00 0.37 0.08 0.00 0.00 0.00 0.00 47.33 47.78 1noi h GLY 809 CO 0.00 -0.32 0.31 1.70 0.00 0.00 0.00 176.54 178.23 1noi h LYS 810 N -0.01 0.00 -0.88 4.80 3.64 -1.90 -2.73 116.57 119.49 1noi h LYS 810 Ca 0.42 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.66 1noi h LYS 810 Cb 0.67 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.40 1noi h LYS 810 CO -0.98 0.00 0.18 1.19 -2.27 0.00 0.00 179.45 177.58 1noi n PHE 811 N -3.71 1.46 -3.11 1.91 3.72 0.50 -4.77 117.46 113.47 1noi n PHE 811 Ca 0.04 -0.83 -0.36 0.00 -0.05 0.00 0.00 57.45 56.24 1noi n PHE 811 Cb 0.46 -0.49 -0.06 0.00 -0.94 0.00 0.00 39.48 38.45 1noi n PHE 811 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1noi s SER 812 N -0.37 7.05 0.37 4.37 0.15 -1.03 -1.50 113.70 122.74 1noi s SER 812 Ca 0.32 1.41 0.27 0.00 0.70 0.00 0.00 55.95 58.65 1noi s SER 812 Cb 0.25 -2.42 0.96 0.00 -1.71 0.00 0.00 66.02 63.11 1noi s SER 812 CO 0.08 0.04 1.79 0.77 1.20 0.00 0.00 173.24 177.12 1noi h SER 813 N 3.45 0.00 -0.66 5.45 4.64 -0.48 -2.08 113.55 123.87 1noi h SER 813 Ca -0.48 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.81 1noi h SER 813 Cb 1.19 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.25 1noi h SER 813 CO 0.65 0.00 0.32 0.44 -0.87 0.00 0.00 176.83 177.37 1noi h ASP 814 N 0.00 0.88 -0.10 4.97 3.32 -1.91 0.20 116.42 123.79 1noi h ASP 814 Ca 0.00 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 1noi h ASP 814 Cb 0.59 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 1noi h ASP 814 CO 0.00 0.76 -0.04 -0.09 -1.72 0.00 0.00 179.24 178.15 1noi h ARG 815 N 0.97 0.20 -0.72 3.56 1.12 -1.70 -0.42 114.38 117.40 1noi h ARG 815 Ca 0.24 -0.08 0.10 0.00 -1.11 0.00 0.00 59.98 59.12 1noi h ARG 815 Cb 0.11 -0.01 -0.07 0.00 -0.01 0.00 0.00 29.97 29.99 1noi h ARG 815 CO -0.03 0.53 0.35 1.15 -3.11 0.00 0.00 179.97 178.86 1noi h THR 816 N -0.14 0.83 -0.11 0.20 2.02 -1.24 -2.36 112.91 112.11 1noi h THR 816 Ca 0.02 -0.20 -0.16 0.00 0.77 0.00 0.00 66.41 66.84 1noi h THR 816 Cb 0.47 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1noi h THR 816 CO 0.01 0.11 -0.63 0.40 0.37 0.00 0.00 175.52 175.78 1noi h ILE 817 N 0.58 1.36 -0.70 3.11 1.08 -0.44 -1.41 117.51 121.10 1noi h ILE 817 Ca 0.36 -1.98 -0.06 0.00 -0.39 0.00 0.00 64.86 62.79 1noi h ILE 817 Cb 0.40 1.97 -0.03 0.00 -3.07 0.00 0.00 36.82 36.09 1noi h ILE 817 CO -0.28 0.60 0.21 0.00 -0.69 0.00 0.00 178.15 177.98 1noi h ALA 818 N 1.03 1.05 0.01 1.87 0.00 -0.81 -0.36 119.26 122.04 1noi h ALA 818 Ca -0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1noi h ALA 818 Cb 1.17 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1noi h ALA 818 CO 0.11 0.64 -0.01 1.96 0.00 0.00 0.00 179.25 181.95 1noi h GLN 819 N 1.04 -0.01 -0.83 0.00 4.20 -0.87 0.40 115.11 119.04 1noi h GLN 819 Ca 0.23 0.00 0.14 0.00 0.06 0.00 0.00 58.65 59.08 1noi h GLN 819 Cb 0.31 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.00 1noi h GLN 819 CO -0.01 0.34 0.41 1.88 -0.67 0.00 0.00 178.83 180.79 1noi h TYR 820 N -0.37 0.72 0.55 2.96 0.05 -1.17 0.14 116.97 119.85 1noi h TYR 820 Ca -0.00 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.80 1noi h TYR 820 Cb 0.36 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.89 1noi h TYR 820 CO 0.05 0.16 -0.48 0.00 -1.05 0.00 0.00 178.16 176.84 1noi h ALA 821 N 1.55 -1.12 -0.01 3.88 0.00 -0.72 -0.36 119.26 122.48 1noi h ALA 821 Ca 0.45 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.99 1noi h ALA 821 Cb 0.64 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1noi h ALA 821 CO -0.37 -1.16 -0.80 0.00 0.00 0.00 0.00 179.25 176.92 1noi h ARG 822 N -1.02 0.16 0.00 0.00 3.08 -0.90 0.23 114.38 115.93 1noi h ARG 822 Ca -0.07 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1noi h ARG 822 Cb 0.87 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.96 1noi h ARG 822 CO -0.03 0.87 -1.90 0.39 -1.07 0.00 0.00 179.97 178.24 1noi n GLU 823 N -3.69 0.59 0.01 0.04 1.02 0.50 -4.33 120.64 114.78 1noi n GLU 823 Ca -0.03 -0.18 -0.02 0.00 -0.02 0.00 0.00 57.16 56.91 1noi n GLU 823 Cb 0.76 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 30.70 1noi n GLU 823 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1noi n ILE 824 N -2.18 0.61 0.04 -3.67 5.41 -0.38 -4.87 119.36 114.31 1noi n ILE 824 Ca -0.04 0.14 -0.08 0.00 1.00 0.00 0.00 62.75 63.77 1noi n ILE 824 Cb 0.51 -1.59 -0.13 0.00 -0.71 0.00 0.00 39.64 37.73 1noi n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1noi h TRP 825 N -0.09 0.05 0.00 1.39 6.55 -1.15 -3.49 115.95 119.21 1noi h TRP 825 Ca -0.04 -0.04 0.00 0.00 0.95 0.00 0.00 58.89 59.76 1noi h TRP 825 Cb 0.66 -0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.96 1noi h TRP 825 CO -0.02 1.04 0.00 0.41 -1.05 0.00 0.00 178.44 178.82 1noi n GLY 826 N 1.43 0.98 3.41 1.49 0.00 0.71 -5.00 105.19 108.22 1noi n GLY 826 Ca -0.06 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.14 1noi n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1noi s VAL 827 N -2.00 2.29 -0.18 1.61 -7.23 -0.57 -5.01 120.40 109.31 1noi s VAL 827 Ca 0.00 -1.97 -0.07 0.00 -1.81 0.00 0.00 61.98 58.13 1noi s VAL 827 Cb 0.00 -2.07 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 1noi s VAL 827 CO 0.00 -0.10 0.06 -1.61 -0.31 0.00 0.00 175.10 173.14 1noi s GLU 828 N -2.57 3.93 0.39 4.82 0.41 -1.26 -3.65 118.70 120.78 1noi s GLU 828 Ca 0.19 -0.37 -0.27 0.00 -0.41 0.00 0.00 54.97 54.11 1noi s GLU 828 Cb -0.08 -3.20 -0.10 0.00 -1.78 0.00 0.00 34.13 28.97 1noi s GLU 828 CO 0.09 0.24 1.46 -2.14 -0.49 0.00 0.00 175.26 174.41 1noi s PRO 829 N 0.45 4.01 -0.08 0.39 0.02 -1.26 -4.89 135.00 133.64 1noi s PRO 829 Ca 0.03 2.50 0.02 0.00 0.02 0.00 0.00 61.00 63.56 1noi s PRO 829 Cb -0.13 -2.88 0.02 0.00 0.02 0.00 0.00 34.50 31.52 1noi s PRO 829 CO 0.01 -0.59 -0.11 0.45 -0.33 0.00 0.00 177.00 176.42 1noi s SER 830 N -0.28 1.92 -0.05 2.53 0.15 -0.35 -5.01 113.70 112.62 1noi s SER 830 Ca 0.55 -0.31 0.16 0.00 0.70 0.00 0.00 55.95 57.05 1noi s SER 830 Cb -0.45 -0.85 0.56 0.00 -1.71 0.00 0.00 66.02 63.56 1noi s SER 830 CO 0.60 -0.00 1.45 0.54 1.20 0.00 0.00 173.24 177.04 1noi n ARG 831 N 4.09 2.83 -2.80 5.44 1.74 -1.26 -3.55 116.66 123.16 1noi n ARG 831 Ca -0.20 -2.23 -0.42 0.00 -0.77 0.00 0.00 57.85 54.23 1noi n ARG 831 Cb 0.51 -1.63 -0.03 0.00 -1.02 0.00 0.00 32.46 30.29 1noi n ARG 831 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1noi s GLN 832 N -1.52 4.42 -0.04 5.56 -2.07 -1.26 -4.95 119.66 119.80 1noi s GLN 832 Ca 0.41 1.23 -0.30 0.00 -1.82 0.00 0.00 55.36 54.88 1noi s GLN 832 Cb 0.24 -3.52 -0.06 0.00 -1.09 0.00 0.00 33.01 28.58 1noi s GLN 832 CO 0.23 -0.20 1.64 1.03 -1.32 0.00 0.00 175.29 176.67 1noi s ARG 833 N 1.65 4.19 0.59 9.60 0.52 -1.26 -4.94 118.95 129.30 1noi s ARG 833 Ca 0.45 2.20 -0.18 0.00 -0.52 0.00 0.00 55.73 57.68 1noi s ARG 833 Cb -0.18 -3.92 -0.04 0.00 0.52 0.00 0.00 34.95 31.33 1noi s ARG 833 CO 0.19 -0.82 1.14 -1.17 0.02 0.00 0.00 175.30 174.66 1noi s LEU 834 N 3.79 3.62 0.91 2.53 2.96 0.23 -4.98 118.68 127.74 1noi s LEU 834 Ca 0.73 2.18 -0.12 0.00 -0.22 0.00 0.00 54.13 56.70 1noi s LEU 834 Cb -0.34 -4.58 0.14 0.00 0.50 0.00 0.00 46.19 41.91 1noi s LEU 834 CO 0.30 -1.44 1.12 -2.16 -1.32 0.00 0.00 176.35 172.85 1noi s PRO 835 N -3.53 1.14 2.36 0.98 0.04 -1.26 -4.44 135.00 130.30 1noi s PRO 835 Ca 0.72 0.44 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1noi s PRO 835 Cb -0.24 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1noi s PRO 835 CO 0.33 -2.23 0.00 0.00 0.04 0.00 0.00 177.00 175.14 1noi n ALA 836 N -3.81 0.00 -3.59 8.56 0.00 -1.26 -4.85 120.51 115.57 1noi n ALA 836 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.34 1noi n ALA 836 Cb 0.58 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.04 1noi n ALA 836 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1noi n PRO 837 N -0.69 0.97 0.00 0.00 -0.04 -1.26 -4.94 135.00 129.04 1noi n PRO 837 Ca 0.00 -1.98 0.00 0.00 -0.04 0.00 0.00 63.50 61.48 1noi n PRO 837 Cb 0.00 0.14 0.00 0.00 -0.04 0.00 0.00 33.50 33.60 1noi n PRO 837 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99