#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vet s ASP 3 N 0.00 5.95 0.00 0.00 -1.08 -1.26 -4.80 116.67 115.48 1vet s ASP 3 Ca 0.00 0.11 0.00 0.00 -0.52 0.00 0.00 52.55 52.14 1vet s ASP 3 Cb 0.00 -2.05 0.00 0.00 -1.46 0.00 0.00 42.92 39.41 1vet s ASP 3 CO 0.00 0.12 0.02 -0.67 0.52 0.00 0.00 175.17 175.15 1vet n ASP 4 N 3.94 0.03 -0.06 -0.34 -0.08 -1.26 -4.65 116.55 114.13 1vet n ASP 4 Ca -0.16 -0.73 -0.02 0.00 -1.51 0.00 0.00 54.79 52.37 1vet n ASP 4 Cb 0.52 0.01 0.24 0.00 2.34 0.00 0.00 41.12 44.23 1vet n ASP 4 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1vet h LEU 5 N 0.00 0.62 -0.10 -2.67 6.46 -1.98 0.44 115.31 118.08 1vet h LEU 5 Ca 0.00 -0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.64 1vet h LEU 5 Cb 0.35 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 40.11 1vet h LEU 5 CO 0.00 0.66 0.04 0.50 -0.62 0.00 0.00 178.44 179.03 1vet h LYS 6 N 0.64 0.15 -0.80 1.25 3.64 -1.98 0.23 116.57 119.69 1vet h LYS 6 Ca 0.14 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1vet h LYS 6 Cb 0.33 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 1vet h LYS 6 CO 0.01 0.25 0.50 0.00 -2.27 0.00 0.00 179.45 177.93 1vet h ARG 7 N 0.02 1.07 -0.41 1.90 3.08 -1.59 -2.02 114.38 116.43 1vet h ARG 7 Ca 0.03 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 1vet h ARG 7 Cb 0.15 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1vet h ARG 7 CO -0.00 0.74 0.06 0.35 -1.07 0.00 0.00 179.97 180.04 1vet h PHE 8 N 1.10 0.73 -0.28 3.04 3.57 0.52 -2.85 116.94 122.77 1vet h PHE 8 Ca 0.29 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 1vet h PHE 8 Cb -0.08 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.45 1vet h PHE 8 CO 0.00 0.71 0.04 -0.07 -2.23 0.00 0.00 178.31 176.77 1vet h LEU 9 N 0.53 0.36 -0.35 0.59 3.38 -0.03 -2.38 115.31 117.41 1vet h LEU 9 Ca 0.12 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1vet h LEU 9 Cb 0.38 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1vet h LEU 9 CO 0.01 0.39 0.14 1.88 0.09 0.00 0.00 178.44 180.95 1vet h TYR 10 N 0.40 0.55 0.00 1.13 -1.99 -1.20 -0.99 116.97 114.86 1vet h TYR 10 Ca 0.09 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.78 1vet h TYR 10 Cb 0.19 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 38.76 1vet h TYR 10 CO 0.01 0.51 0.00 1.63 -0.00 0.00 0.00 178.16 180.30 1vet n LYS 11 N -4.68 0.16 0.06 4.88 5.02 -1.01 -2.16 118.16 120.43 1vet n LYS 11 Ca -0.01 0.43 -0.08 0.00 -2.02 0.00 0.00 58.31 56.63 1vet n LYS 11 Cb 0.15 -1.83 -0.12 0.00 -0.02 0.00 0.00 35.03 33.20 1vet n LYS 11 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1vet h LYS 12 N 0.00 0.02 -1.09 1.97 1.79 -0.70 -3.34 116.57 115.23 1vet h LYS 12 Ca 0.00 -0.04 0.30 0.00 -2.18 0.00 0.00 60.65 58.73 1vet h LYS 12 Cb 0.30 0.01 -0.11 0.00 -1.58 0.00 0.00 32.23 30.85 1vet h LYS 12 CO 0.00 0.98 0.68 -0.07 -1.08 0.00 0.00 179.45 179.97 1vet h LEU 13 N 0.01 0.44 -1.45 2.94 3.38 -0.92 0.29 115.31 120.00 1vet h LEU 13 Ca -0.04 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1vet h LEU 13 Cb 1.81 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.61 1vet h LEU 13 CO 0.13 0.01 0.00 -0.65 0.09 0.00 0.00 178.44 178.02 1vet h PRO 14 N 0.35 0.00 0.00 1.13 0.11 -1.76 -3.14 132.00 128.68 1vet h PRO 14 Ca 0.66 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.77 1vet h PRO 14 Cb 1.70 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.81 1vet h PRO 14 CO -0.38 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.28 1vet n SER 15 N -2.90 0.30 -3.91 -2.05 3.41 0.09 -4.32 113.62 104.25 1vet n SER 15 Ca 0.01 0.59 -0.28 0.00 -0.26 0.00 0.00 58.87 58.92 1vet n SER 15 Cb 0.26 -0.65 -0.16 0.00 -0.26 0.00 0.00 64.21 63.40 1vet n SER 15 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1vet s VAL 16 N -3.18 1.16 0.12 -3.33 1.01 -1.19 -5.10 120.40 109.89 1vet s VAL 16 Ca 0.04 -0.62 -0.31 0.00 0.00 0.00 0.00 61.98 61.09 1vet s VAL 16 Cb 0.08 -1.30 -0.10 0.00 0.00 0.00 0.00 36.38 35.06 1vet s VAL 16 CO 0.26 0.18 1.80 -0.70 0.00 0.00 0.00 175.10 176.64 1vet s GLU 17 N 1.62 4.15 0.00 2.72 2.12 -1.26 -1.89 118.70 126.15 1vet s GLU 17 Ca 0.01 2.56 0.00 0.00 0.36 0.00 0.00 54.97 57.90 1vet s GLU 17 Cb -0.15 -3.58 0.00 0.00 0.26 0.00 0.00 34.13 30.67 1vet s GLU 17 CO -0.08 -0.82 0.00 0.41 -0.54 0.00 0.00 175.26 174.23 1vet n GLY 18 N 4.19 0.77 3.66 -1.50 0.00 -1.26 -4.47 105.19 106.58 1vet n GLY 18 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1vet n GLY 18 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1vet s LEU 19 N 0.00 4.13 -0.14 0.99 2.96 -0.79 -0.11 118.68 125.72 1vet s LEU 19 Ca 0.00 1.26 0.16 0.00 -0.22 0.00 0.00 54.13 55.32 1vet s LEU 19 Cb 0.00 -3.37 -0.22 0.00 0.50 0.00 0.00 46.19 43.09 1vet s LEU 19 CO 0.00 -0.54 0.13 1.41 -1.32 0.00 0.00 176.35 176.03 1vet n HIS 20 N 5.81 0.00 -3.49 5.38 8.25 0.38 -4.79 115.22 126.75 1vet n HIS 20 Ca 0.08 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.40 1vet n HIS 20 Cb 0.47 -0.76 -0.04 0.00 1.12 0.00 0.00 29.99 30.79 1vet n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1vet s ALA 21 N -2.58 -1.74 -0.09 -1.41 0.00 -0.35 -1.51 121.76 114.08 1vet s ALA 21 Ca -0.08 1.04 -0.00 0.00 0.00 0.00 0.00 51.96 52.92 1vet s ALA 21 Cb 0.06 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.47 1vet s ALA 21 CO 0.71 -0.53 -0.06 0.42 0.00 0.00 0.00 175.76 176.29 1vet s ILE 22 N -2.27 0.85 -0.12 0.00 1.01 -0.59 -0.60 121.20 119.49 1vet s ILE 22 Ca -0.04 -0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.41 1vet s ILE 22 Cb -0.01 -0.89 0.02 0.00 0.01 0.00 0.00 42.46 41.60 1vet s ILE 22 CO -0.01 0.33 -0.13 -0.69 0.00 0.00 0.00 174.94 174.44 1vet s VAL 23 N 1.56 1.36 -0.25 2.92 1.01 0.31 -1.66 120.40 125.66 1vet s VAL 23 Ca 0.01 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 1vet s VAL 23 Cb -0.13 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 1vet s VAL 23 CO -0.05 0.42 0.05 -0.69 0.00 0.00 0.00 175.10 174.83 1vet s VAL 24 N 1.28 4.11 0.38 2.92 1.01 -0.33 -0.79 120.40 128.98 1vet s VAL 24 Ca -0.01 -0.28 0.06 0.00 0.00 0.00 0.00 61.98 61.75 1vet s VAL 24 Cb -0.14 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 1vet s VAL 24 CO -0.05 0.33 0.22 -1.54 0.00 0.00 0.00 175.10 174.05 1vet n SER 25 N 4.90 0.24 -4.60 3.32 3.41 -0.33 -0.02 113.62 120.53 1vet n SER 25 Ca -0.16 -3.25 -0.24 0.00 -0.26 0.00 0.00 58.87 54.96 1vet n SER 25 Cb 0.51 1.40 0.12 0.00 -0.26 0.00 0.00 64.21 65.98 1vet n SER 25 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1vet s ASP 26 N -3.49 4.17 0.61 4.04 1.47 -0.12 -1.09 116.67 122.25 1vet s ASP 26 Ca 0.31 -0.32 0.30 0.00 1.18 0.00 0.00 52.55 54.03 1vet s ASP 26 Cb 0.02 -0.00 1.70 0.00 -0.34 0.00 0.00 42.92 44.30 1vet s ASP 26 CO 0.22 -1.99 2.08 0.08 0.68 0.00 0.00 175.17 176.24 1vet h ARG 27 N -0.67 0.00 -0.43 2.11 0.11 -1.90 0.22 114.38 113.81 1vet h ARG 27 Ca -0.37 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.71 1vet h ARG 27 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 1vet h ARG 27 CO 0.39 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.21 1vet n ASP 28 N -3.61 2.43 0.00 0.08 8.00 -1.26 -4.56 116.55 117.63 1vet n ASP 28 Ca 0.02 -1.97 0.00 0.00 0.71 0.00 0.00 54.79 53.55 1vet n ASP 28 Cb 0.35 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1vet n ASP 28 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vet n GLY 29 N 1.24 0.51 3.68 0.44 0.00 0.06 -4.38 105.19 106.75 1vet n GLY 29 Ca 0.16 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1vet n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vet s VAL 30 N -2.00 4.79 0.32 1.61 1.01 -1.26 -3.85 120.40 121.03 1vet s VAL 30 Ca 0.00 1.96 -0.26 0.00 0.00 0.00 0.00 61.98 63.68 1vet s VAL 30 Cb 0.00 -4.28 -0.10 0.00 0.00 0.00 0.00 36.38 32.00 1vet s VAL 30 CO 0.00 -0.01 0.98 -2.16 0.00 0.00 0.00 175.10 173.91 1vet s PRO 31 N 2.13 4.55 -0.22 2.72 0.04 -1.26 -0.95 135.00 142.00 1vet s PRO 31 Ca 0.46 1.43 -0.03 0.00 0.04 0.00 0.00 61.00 62.90 1vet s PRO 31 Cb -0.18 -2.85 -0.19 0.00 0.04 0.00 0.00 34.50 31.33 1vet s PRO 31 CO 0.16 0.22 -0.07 0.28 0.04 0.00 0.00 177.00 177.63 1vet n VAL 32 N 0.61 1.57 -3.79 -0.36 0.31 0.97 -4.94 118.33 112.71 1vet n VAL 32 Ca 0.02 -0.55 -0.13 0.00 -0.01 0.00 0.00 64.34 63.67 1vet n VAL 32 Cb 0.49 -1.58 -0.13 0.00 -0.91 0.00 0.00 33.84 31.71 1vet n VAL 32 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1vet s ILE 33 N -2.52 -0.01 -0.03 2.52 1.01 -0.87 -5.01 121.20 116.28 1vet s ILE 33 Ca -0.32 0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.36 1vet s ILE 33 Cb 0.09 -0.26 0.03 0.00 0.01 0.00 0.00 42.46 42.33 1vet s ILE 33 CO 0.63 0.02 0.06 -0.75 0.00 0.00 0.00 174.94 174.90 1vet s LYS 34 N 0.38 -0.04 -0.09 2.79 2.20 -1.26 -1.19 119.74 122.53 1vet s LYS 34 Ca -0.02 0.30 0.01 0.00 -0.36 0.00 0.00 55.97 55.89 1vet s LYS 34 Cb -0.04 -0.35 0.02 0.00 -1.51 0.00 0.00 37.83 35.95 1vet s LYS 34 CO -0.02 -0.24 -0.09 0.14 -0.36 0.00 0.00 175.35 174.78 1vet s VAL 35 N 1.60 1.01 -0.09 4.02 -7.23 -0.67 -5.02 120.40 114.02 1vet s VAL 35 Ca -0.03 -0.33 -0.06 0.00 -1.81 0.00 0.00 61.98 59.76 1vet s VAL 35 Cb -0.12 -0.99 0.04 0.00 0.56 0.00 0.00 36.38 35.86 1vet s VAL 35 CO -0.03 0.35 0.22 0.00 -0.31 0.00 0.00 175.10 175.33 1vet s ALA 36 N 1.31 -0.52 0.82 1.32 0.00 -1.26 -1.54 121.76 121.88 1vet s ALA 36 Ca -0.03 0.82 -0.07 0.00 0.00 0.00 0.00 51.96 52.68 1vet s ALA 36 Cb -0.14 -0.51 0.15 0.00 0.00 0.00 0.00 23.12 22.63 1vet s ALA 36 CO -0.04 -0.16 1.13 0.54 0.00 0.00 0.00 175.76 177.24 1vet s ASN 37 N 0.79 3.86 0.58 0.00 2.20 -0.57 -4.97 114.94 116.84 1vet s ASN 37 Ca -0.06 -0.08 0.39 0.00 -0.94 0.00 0.00 52.86 52.17 1vet s ASN 37 Cb -0.07 -0.18 2.00 0.00 -2.00 0.00 0.00 41.25 41.01 1vet s ASN 37 CO -0.05 -2.21 2.17 -0.78 -2.94 0.00 0.00 177.10 173.30 1vet h ASP 38 N -0.98 0.00 1.43 3.54 1.82 -2.01 -2.81 116.42 117.41 1vet h ASP 38 Ca -0.40 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.24 1vet h ASP 38 Cb 1.26 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.27 1vet h ASP 38 CO 0.40 0.00 0.00 -1.20 -1.61 0.00 0.00 179.24 176.83 1vet n SER 39 N -2.92 0.83 -4.69 2.28 7.64 -1.26 -4.88 113.62 110.62 1vet n SER 39 Ca -0.02 0.59 -0.42 0.00 1.01 0.00 0.00 58.87 60.02 1vet n SER 39 Cb 0.11 -0.80 -0.03 0.00 -1.01 0.00 0.00 64.21 62.48 1vet n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vet s ALA 40 N -3.12 3.59 -0.14 -0.43 0.00 -1.06 -4.94 121.76 115.66 1vet s ALA 40 Ca 0.10 0.94 -0.32 0.00 0.00 0.00 0.00 51.96 52.69 1vet s ALA 40 Cb 0.12 -3.60 -0.09 0.00 0.00 0.00 0.00 23.12 19.55 1vet s ALA 40 CO 0.58 -0.89 2.05 -2.30 0.00 0.00 0.00 175.76 175.20 1vet n PRO 41 N 5.22 2.08 -0.35 0.00 -0.02 -1.26 -4.85 135.00 135.81 1vet n PRO 41 Ca 0.13 0.69 0.15 0.00 -2.02 0.00 0.00 63.50 62.46 1vet n PRO 41 Cb 0.43 -2.85 0.35 0.00 -0.02 0.00 0.00 33.50 31.41 1vet n PRO 41 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1vet h GLU 42 N 11.64 0.66 0.00 -0.52 4.57 -1.95 -0.53 114.58 128.45 1vet h GLU 42 Ca -0.43 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1vet h GLU 42 Cb 1.27 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1vet h GLU 42 CO 0.96 0.44 0.00 1.12 -1.18 0.00 0.00 179.01 180.35 1vet h HIS 43 N 0.68 0.00 0.00 0.92 2.07 -2.00 -2.87 115.15 113.95 1vet h HIS 43 Ca 0.61 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.13 1vet h HIS 43 Cb 1.05 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.03 1vet h HIS 43 CO -0.01 0.00 -0.02 0.00 -3.07 0.00 0.00 177.93 174.84 1vet n ALA 44 N -1.99 2.32 1.21 6.11 0.00 -0.21 -3.10 120.51 124.85 1vet n ALA 44 Ca 0.01 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.52 1vet n ALA 44 Cb 0.28 -1.46 0.31 0.00 0.00 0.00 0.00 19.45 18.58 1vet n ALA 44 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1vet n LEU 45 N -2.02 1.25 -4.83 0.00 4.77 -1.08 -4.66 117.00 110.43 1vet n LEU 45 Ca 0.06 -0.37 -0.33 0.00 -0.03 0.00 0.00 56.01 55.34 1vet n LEU 45 Cb 0.40 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 1vet n LEU 45 CO 0.30 0.23 0.50 -0.13 -1.33 0.00 0.00 177.39 176.96 1vet s ARG 46 N -2.47 4.13 0.18 3.23 1.81 -1.18 -4.96 118.95 119.69 1vet s ARG 46 Ca 0.24 0.86 -0.21 0.00 -1.72 0.00 0.00 55.73 54.90 1vet s ARG 46 Cb 0.19 -2.42 0.10 0.00 -0.45 0.00 0.00 34.95 32.37 1vet s ARG 46 CO 0.52 0.13 1.60 -1.35 -0.68 0.00 0.00 175.30 175.52 1vet h PRO 47 N 2.33 -0.18 -0.28 3.54 0.11 -1.87 -1.77 132.00 133.88 1vet h PRO 47 Ca -0.48 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.67 1vet h PRO 47 Cb 1.18 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1vet h PRO 47 CO 0.64 -0.12 0.08 0.78 -0.21 0.00 0.00 178.00 179.17 1vet h GLY 48 N -0.19 0.33 0.79 -0.55 0.00 -1.87 0.19 103.07 101.77 1vet h GLY 48 Ca 0.21 -0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.53 1vet h GLY 48 CO -0.60 0.01 0.13 -2.75 0.00 0.00 0.00 176.54 173.33 1vet h PHE 49 N 0.19 0.24 0.00 5.60 3.04 -1.76 -2.71 116.94 121.54 1vet h PHE 49 Ca 0.13 0.01 -0.10 0.00 3.98 0.00 0.00 57.97 61.99 1vet h PHE 49 Cb 0.11 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.55 1vet h PHE 49 CO -0.15 0.12 -0.47 -0.07 -2.02 0.00 0.00 178.31 175.72 1vet h LEU 50 N 0.28 0.00 -0.33 0.59 3.38 -0.89 -3.12 115.31 115.23 1vet h LEU 50 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1vet h LEU 50 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1vet h LEU 50 CO -0.12 0.47 0.00 -1.54 0.09 0.00 0.00 178.44 177.34 1vet n SER 51 N -3.72 0.21 0.13 -0.43 3.41 0.64 -2.95 113.62 110.90 1vet n SER 51 Ca -0.01 0.57 0.07 0.00 -0.26 0.00 0.00 58.87 59.24 1vet n SER 51 Cb 0.53 -0.61 0.56 0.00 -0.26 0.00 0.00 64.21 64.43 1vet n SER 51 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1vet h THR 52 N 0.00 1.02 -0.98 6.66 2.02 -1.59 -3.07 112.91 116.96 1vet h THR 52 Ca 0.00 -0.08 0.06 0.00 0.77 0.00 0.00 66.41 67.16 1vet h THR 52 Cb 0.18 0.77 -0.06 0.00 -1.74 0.00 0.00 68.15 67.29 1vet h THR 52 CO 0.00 0.04 0.63 0.15 0.37 0.00 0.00 175.52 176.72 1vet h PHE 53 N 0.23 1.18 -0.97 3.16 3.57 -1.80 -2.53 116.94 119.77 1vet h PHE 53 Ca 0.09 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.66 1vet h PHE 53 Cb 0.07 -0.39 -0.06 0.00 2.79 0.00 0.00 35.95 38.36 1vet h PHE 53 CO -0.00 0.63 0.64 0.00 -2.23 0.00 0.00 178.31 177.35 1vet h ALA 54 N 1.43 1.38 -0.07 2.41 0.00 -1.78 0.36 119.26 122.99 1vet h ALA 54 Ca 0.42 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 55.13 1vet h ALA 54 Cb 0.12 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.58 1vet h ALA 54 CO -0.16 0.52 -0.57 -0.07 0.00 0.00 0.00 179.25 178.97 1vet h LEU 55 N 1.22 0.62 -1.14 0.00 3.38 -1.70 -3.22 115.31 114.48 1vet h LEU 55 Ca 0.39 -0.68 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 1vet h LEU 55 Cb 0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1vet h LEU 55 CO -0.12 1.21 -0.25 0.00 0.09 0.00 0.00 178.44 179.37 1vet h ALA 56 N 0.43 1.28 -0.26 1.53 0.00 -1.01 -2.49 119.26 118.74 1vet h ALA 56 Ca -0.05 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 1vet h ALA 56 Cb 1.23 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1vet h ALA 56 CO 0.12 0.48 -0.34 1.15 0.00 0.00 0.00 179.25 180.66 1vet h THR 57 N 0.27 1.29 0.09 0.00 2.02 -0.38 0.93 112.91 117.13 1vet h THR 57 Ca 0.04 -1.46 -0.00 0.00 0.77 0.00 0.00 66.41 65.76 1vet h THR 57 Cb 0.58 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1vet h THR 57 CO 0.04 0.46 -0.04 -0.78 0.37 0.00 0.00 175.52 175.57 1vet h ASP 58 N 0.47 -0.10 -0.48 4.18 1.82 -1.51 -0.49 116.42 120.31 1vet h ASP 58 Ca 0.05 -0.13 0.01 0.00 -0.39 0.00 0.00 57.03 56.57 1vet h ASP 58 Cb 0.82 0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.83 1vet h ASP 58 CO 0.07 0.07 0.32 1.56 -1.61 0.00 0.00 179.24 179.65 1vet h GLN 59 N -0.27 0.63 -0.29 0.28 1.08 -1.34 -2.08 115.11 113.13 1vet h GLN 59 Ca -0.01 -0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.19 1vet h GLN 59 Cb 0.22 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 1vet h GLN 59 CO 0.02 0.42 0.20 0.78 -0.95 0.00 0.00 178.83 179.29 1vet h GLY 60 N 0.65 0.25 1.34 3.46 0.00 -0.61 0.48 103.07 108.63 1vet h GLY 60 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1vet h GLY 60 CO -0.04 0.07 0.00 1.44 0.00 0.00 0.00 176.54 178.01 1vet n SER 61 N -4.49 0.00 -1.17 0.19 7.64 -0.21 -3.00 113.62 112.59 1vet n SER 61 Ca 0.03 -0.45 0.08 0.00 1.01 0.00 0.00 58.87 59.54 1vet n SER 61 Cb 0.21 -0.17 0.28 0.00 -1.01 0.00 0.00 64.21 63.52 1vet n SER 61 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1vet n LYS 62 N -1.17 3.25 -0.14 1.43 4.76 0.17 -4.52 118.16 121.93 1vet n LYS 62 Ca 0.17 -2.62 0.06 0.00 -2.87 0.00 0.00 58.31 53.06 1vet n LYS 62 Cb 0.18 -1.67 0.20 0.00 -1.84 0.00 0.00 35.03 31.90 1vet n LYS 62 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1vet n LEU 63 N 0.71 1.62 -0.01 -0.35 4.77 -1.16 -4.91 117.00 117.67 1vet n LEU 63 Ca 0.21 -0.78 -0.00 0.00 -0.03 0.00 0.00 56.01 55.41 1vet n LEU 63 Cb 0.73 -0.18 -0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1vet n LEU 63 CO 0.17 0.39 -0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1vet n GLY 64 N 1.02 0.48 0.39 -0.72 0.00 -1.26 -4.89 105.19 100.21 1vet n GLY 64 Ca 0.12 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.12 1vet n GLY 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1vet n LEU 65 N -0.01 2.84 0.00 0.99 4.77 -1.26 -5.10 117.00 119.23 1vet n LEU 65 Ca -0.00 -3.24 0.00 0.00 -0.03 0.00 0.00 56.01 52.74 1vet n LEU 65 Cb 0.02 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1vet n LEU 65 CO 0.00 0.84 0.00 -0.24 -1.33 0.00 0.00 177.39 176.66 1vet n SER 66 N -1.18 -1.85 -4.77 -1.43 2.88 -1.26 -4.87 113.62 101.14 1vet n SER 66 Ca 0.19 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.32 1vet n SER 66 Cb 0.73 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.18 1vet n SER 66 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1vet s LYS 67 N 0.00 4.15 0.05 -1.46 2.47 -1.26 -4.43 119.74 119.26 1vet s LYS 67 Ca 0.00 2.51 -0.24 0.00 -1.56 0.00 0.00 55.97 56.68 1vet s LYS 67 Cb 0.00 -3.01 -0.06 0.00 -1.46 0.00 0.00 37.83 33.30 1vet s LYS 67 CO 0.00 -0.52 0.74 1.21 0.16 0.00 0.00 175.35 176.94 1vet s ASN 68 N 0.07 7.20 -0.18 1.43 3.84 -1.26 -4.93 114.94 121.11 1vet s ASN 68 Ca 0.56 1.43 0.05 0.00 0.21 0.00 0.00 52.86 55.12 1vet s ASN 68 Cb -0.46 -2.46 -0.15 0.00 -0.55 0.00 0.00 41.25 37.64 1vet s ASN 68 CO 0.55 0.05 -0.10 0.29 -2.79 0.00 0.00 177.10 175.10 1vet n LYS 69 N 2.68 0.82 -3.64 0.43 5.02 -1.26 -4.83 118.16 117.39 1vet n LYS 69 Ca -0.03 0.07 -0.10 0.00 -2.02 0.00 0.00 58.31 56.23 1vet n LYS 69 Cb 0.50 -1.39 -0.04 0.00 -0.02 0.00 0.00 35.03 34.08 1vet n LYS 69 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1vet s SER 70 N -5.56 -0.29 -0.02 4.39 1.04 -1.26 -0.41 113.70 111.59 1vet s SER 70 Ca -0.20 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1vet s SER 70 Cb 0.06 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.73 1vet s SER 70 CO 0.51 -0.93 0.02 -0.63 0.98 0.00 0.00 173.24 173.18 1vet s ILE 71 N -3.82 0.01 -0.15 -1.02 1.01 -0.34 -5.00 121.20 111.90 1vet s ILE 71 Ca 0.05 0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.82 1vet s ILE 71 Cb 0.01 -0.11 -0.01 0.00 0.01 0.00 0.00 42.46 42.35 1vet s ILE 71 CO -0.09 0.08 -0.12 -0.63 0.00 0.00 0.00 174.94 174.18 1vet s ILE 72 N 0.82 3.06 -0.16 2.92 1.01 -1.26 -0.94 121.20 126.64 1vet s ILE 72 Ca -0.07 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 59.95 1vet s ILE 72 Cb -0.10 -2.31 0.01 0.00 0.01 0.00 0.00 42.46 40.07 1vet s ILE 72 CO -0.02 0.50 -0.19 0.00 0.00 0.00 0.00 174.94 175.23 1vet s TYR 74 N 0.99 3.29 0.00 0.00 1.51 -1.26 -0.47 117.35 121.41 1vet s TYR 74 Ca -0.03 0.14 0.00 0.00 -1.01 0.00 0.00 57.07 56.17 1vet s TYR 74 Cb -0.15 -2.13 0.00 0.00 -0.11 0.00 0.00 41.96 39.57 1vet s TYR 74 CO -0.05 0.15 0.00 0.66 -1.11 0.00 0.00 175.55 175.21 1vet n TYR 75 N 3.70 0.00 0.02 2.71 4.02 0.84 -5.00 117.16 123.45 1vet n TYR 75 Ca -0.16 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.54 1vet n TYR 75 Cb 0.52 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.70 1vet n TYR 75 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 176.86 174.88 1vet h ASN 76 N 0.00 0.36 -0.00 7.72 -1.24 -2.01 -3.39 115.58 117.01 1vet h ASN 76 Ca 0.00 -0.96 0.00 0.00 0.71 0.00 0.00 56.30 56.05 1vet h ASN 76 Cb 0.00 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 38.93 1vet h ASN 76 CO 0.00 1.31 -0.38 0.35 -1.29 0.00 0.00 177.43 177.42 1vet n THR 77 N -4.24 0.00 -4.07 -3.57 -2.24 -1.26 -4.79 114.28 94.11 1vet n THR 77 Ca -0.13 -0.31 -0.11 0.00 -2.27 0.00 0.00 64.05 61.23 1vet n THR 77 Cb 0.74 1.08 -0.07 0.00 -2.10 0.00 0.00 70.33 69.99 1vet n THR 77 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1vet s TYR 78 N -1.78 0.69 0.06 4.78 1.13 -1.26 -1.76 117.35 119.20 1vet s TYR 78 Ca 0.07 -0.99 0.03 0.00 -1.41 0.00 0.00 57.07 54.77 1vet s TYR 78 Cb 0.09 -0.08 -0.03 0.00 -1.10 0.00 0.00 41.96 40.85 1vet s TYR 78 CO 0.38 -0.90 -0.09 1.14 -2.51 0.00 0.00 175.55 173.56 1vet s GLN 79 N -3.95 0.63 -0.13 -3.49 -2.07 0.48 -0.11 119.66 111.02 1vet s GLN 79 Ca 0.29 -0.86 0.00 0.00 -1.82 0.00 0.00 55.36 52.97 1vet s GLN 79 Cb 0.02 -0.44 0.02 0.00 -1.09 0.00 0.00 33.01 31.52 1vet s GLN 79 CO 0.11 0.08 -0.13 0.08 -1.32 0.00 0.00 175.29 174.12 1vet s VAL 80 N -1.53 1.42 -0.31 3.63 1.01 0.38 -2.01 120.40 122.99 1vet s VAL 80 Ca -0.06 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 1vet s VAL 80 Cb -0.09 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 34.97 1vet s VAL 80 CO 0.01 0.43 0.08 -0.69 0.00 0.00 0.00 175.10 174.92 1vet s VAL 81 N 1.43 3.78 -0.05 2.92 1.01 -0.21 -0.92 120.40 128.36 1vet s VAL 81 Ca 0.02 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.12 1vet s VAL 81 Cb -0.13 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 1vet s VAL 81 CO -0.08 -0.03 -0.16 -1.10 0.00 0.00 0.00 175.10 173.74 1vet s GLN 82 N 1.44 2.53 -0.04 2.72 -0.21 -0.12 -0.84 119.66 125.14 1vet s GLN 82 Ca 0.00 -0.73 0.07 0.00 0.02 0.00 0.00 55.36 54.73 1vet s GLN 82 Cb -0.18 -2.36 -0.01 0.00 1.00 0.00 0.00 33.01 31.46 1vet s GLN 82 CO 0.02 0.58 -0.25 -0.06 -2.12 0.00 0.00 175.29 173.46 1vet s PHE 83 N -0.62 2.37 -0.35 0.91 0.40 0.25 -1.19 117.98 119.74 1vet s PHE 83 Ca 0.09 -0.61 -0.28 0.00 -0.60 0.00 0.00 56.93 55.54 1vet s PHE 83 Cb -0.11 -1.54 0.02 0.00 0.51 0.00 0.00 43.02 41.89 1vet s PHE 83 CO 0.01 -0.15 1.02 1.21 0.70 0.00 0.00 175.22 178.02 1vet s ASN 84 N -0.33 6.81 -0.28 1.36 3.84 0.45 -2.12 114.94 124.67 1vet s ASN 84 Ca 0.02 0.82 0.21 0.00 0.21 0.00 0.00 52.86 54.12 1vet s ASN 84 Cb -0.12 -2.51 0.49 0.00 -0.55 0.00 0.00 41.25 38.56 1vet s ASN 84 CO 0.02 -0.91 1.11 0.54 -2.79 0.00 0.00 177.10 175.07 1vet n ARG 85 N 6.93 1.60 -1.15 0.43 5.12 -0.87 -4.95 116.66 123.77 1vet n ARG 85 Ca 0.10 -3.31 -0.40 0.00 -1.93 0.00 0.00 57.85 52.31 1vet n ARG 85 Cb 0.48 -1.41 -0.03 0.00 -1.16 0.00 0.00 32.46 30.34 1vet n ARG 85 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1vet n LEU 86 N -0.56 -0.95 0.00 0.55 7.99 -1.26 -0.98 117.00 121.79 1vet n LEU 86 Ca 0.06 0.92 0.07 0.00 -0.01 0.00 0.00 56.01 57.05 1vet n LEU 86 Cb 0.81 -0.77 0.43 0.00 -0.11 0.00 0.00 43.42 43.78 1vet n LEU 86 CO 0.09 -2.38 0.67 -0.81 -1.51 0.00 0.00 177.39 173.45 1vet n PRO 87 N 0.85 0.66 -3.55 3.23 -0.04 -1.26 -5.06 135.00 129.83 1vet n PRO 87 Ca 0.15 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.39 1vet n PRO 87 Cb 0.19 -1.35 -0.01 0.00 -0.04 0.00 0.00 33.50 32.30 1vet n PRO 87 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1vet s LEU 88 N -1.69 4.05 -0.06 1.53 1.43 -0.16 -3.82 118.68 119.97 1vet s LEU 88 Ca 0.22 0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.45 1vet s LEU 88 Cb 0.10 -2.98 0.02 0.00 0.03 0.00 0.00 46.19 43.36 1vet s LEU 88 CO 0.17 -0.32 -0.05 -0.69 0.23 0.00 0.00 176.35 175.69 1vet s VAL 89 N -2.20 0.65 -0.25 -1.59 1.01 -0.25 -2.05 120.40 115.72 1vet s VAL 89 Ca 0.41 -0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 1vet s VAL 89 Cb -0.09 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 1vet s VAL 89 CO 0.33 0.26 0.02 -0.69 0.00 0.00 0.00 175.10 175.02 1vet s VAL 90 N 1.13 3.73 -0.06 2.92 1.01 -0.90 -1.19 120.40 127.04 1vet s VAL 90 Ca -0.07 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.46 1vet s VAL 90 Cb -0.14 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 1vet s VAL 90 CO -0.01 0.29 -0.23 -0.44 0.00 0.00 0.00 175.10 174.71 1vet s SER 91 N 1.51 3.26 -0.14 3.32 0.01 0.03 -0.58 113.70 121.11 1vet s SER 91 Ca 0.05 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.86 1vet s SER 91 Cb -0.15 -0.82 -0.01 0.00 0.21 0.00 0.00 66.02 65.25 1vet s SER 91 CO -0.00 0.26 -0.15 -0.36 0.41 0.00 0.00 173.24 173.40 1vet s PHE 92 N -0.28 2.77 -0.14 2.43 0.40 -0.02 -0.53 117.98 122.62 1vet s PHE 92 Ca 0.00 -0.89 -0.01 0.00 -0.60 0.00 0.00 56.93 55.44 1vet s PHE 92 Cb -0.13 -1.85 -0.01 0.00 0.51 0.00 0.00 43.02 41.53 1vet s PHE 92 CO 0.03 -0.37 -0.12 0.42 0.70 0.00 0.00 175.22 175.88 1vet s ILE 93 N 0.60 3.09 0.28 0.64 1.01 0.24 -1.04 121.20 126.02 1vet s ILE 93 Ca -0.09 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 59.87 1vet s ILE 93 Cb -0.16 -2.32 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 1vet s ILE 93 CO 0.03 0.51 0.41 0.00 0.00 0.00 0.00 174.94 175.89 1vet s ALA 94 N 0.52 0.53 0.71 9.38 0.00 -0.85 -0.47 121.76 131.58 1vet s ALA 94 Ca -0.08 -1.35 -0.14 0.00 0.00 0.00 0.00 51.96 50.39 1vet s ALA 94 Cb -0.16 1.18 0.03 0.00 0.00 0.00 0.00 23.12 24.17 1vet s ALA 94 CO 0.04 -0.77 1.15 -1.54 0.00 0.00 0.00 175.76 174.63 1vet s SER 95 N -3.15 4.55 0.50 0.00 1.04 0.84 -0.39 113.70 117.09 1vet s SER 95 Ca 0.30 2.14 0.18 0.00 0.48 0.00 0.00 55.95 59.05 1vet s SER 95 Cb 0.01 -2.56 1.26 0.00 0.10 0.00 0.00 66.02 64.83 1vet s SER 95 CO 0.15 -2.01 2.10 0.77 0.98 0.00 0.00 173.24 175.23 1vet h SER 96 N -0.32 0.00 0.42 7.02 4.64 -1.56 -2.28 113.55 121.47 1vet h SER 96 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1vet h SER 96 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1vet h SER 96 CO 0.51 0.08 -0.33 -1.54 -0.87 0.00 0.00 176.83 174.68 1vet n SER 97 N -4.28 0.65 -4.67 4.97 3.41 -1.26 -4.87 113.62 107.56 1vet n SER 97 Ca -0.03 -0.47 -0.40 0.00 -0.26 0.00 0.00 58.87 57.72 1vet n SER 97 Cb 0.16 0.12 0.03 0.00 -0.26 0.00 0.00 64.21 64.26 1vet n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vet n ALA 98 N -1.13 0.92 -2.54 7.33 0.00 -0.86 -4.90 120.51 119.33 1vet n ALA 98 Ca 0.09 0.18 -0.43 0.00 0.00 0.00 0.00 53.44 53.28 1vet n ALA 98 Cb 0.33 -2.22 -0.02 0.00 0.00 0.00 0.00 19.45 17.55 1vet n ALA 98 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1vet s ASN 99 N -0.78 6.56 0.29 0.00 3.84 -1.26 -4.90 114.94 118.69 1vet s ASN 99 Ca 0.66 0.55 0.01 0.00 0.21 0.00 0.00 52.86 54.29 1vet s ASN 99 Cb -0.48 -2.55 0.53 0.00 -0.55 0.00 0.00 41.25 38.20 1vet s ASN 99 CO 0.54 -1.30 1.88 0.74 -2.79 0.00 0.00 177.10 176.18 1vet h THR 100 N 6.29 1.02 -0.84 -5.21 2.02 -1.96 -1.99 112.91 112.23 1vet h THR 100 Ca -0.24 -0.36 0.06 0.00 0.77 0.00 0.00 66.41 66.65 1vet h THR 100 Cb 1.07 -0.11 -0.05 0.00 -1.74 0.00 0.00 68.15 67.32 1vet h THR 100 CO 1.12 0.19 0.55 1.23 0.37 0.00 0.00 175.52 178.98 1vet h GLY 101 N 1.04 1.20 2.00 2.16 0.00 -1.99 0.22 103.07 107.70 1vet h GLY 101 Ca 0.43 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 47.30 1vet h GLY 101 CO -0.19 0.28 -0.41 1.41 0.00 0.00 0.00 176.54 177.63 1vet h LEU 102 N 0.94 0.00 -0.08 3.11 3.38 -1.77 0.47 115.31 121.35 1vet h LEU 102 Ca 0.36 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 58.08 1vet h LEU 102 Cb 0.22 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.98 1vet h LEU 102 CO -0.13 0.41 -0.97 0.40 0.09 0.00 0.00 178.44 178.23 1vet h ILE 103 N 0.00 1.31 -0.54 1.22 2.04 -1.04 -1.66 117.51 118.84 1vet h ILE 103 Ca -0.00 -2.24 -0.07 0.00 1.00 0.00 0.00 64.86 63.55 1vet h ILE 103 Cb 0.76 2.32 -0.02 0.00 -0.74 0.00 0.00 36.82 39.13 1vet h ILE 103 CO 0.05 0.69 0.07 0.58 0.00 0.00 0.00 178.15 179.55 1vet h VAL 104 N 0.38 1.24 -0.32 1.67 2.07 -0.61 -1.59 116.25 119.08 1vet h VAL 104 Ca -0.10 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.43 1vet h VAL 104 Cb 1.61 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1vet h VAL 104 CO 0.19 0.34 0.00 0.28 0.02 0.00 0.00 177.57 178.40 1vet h SER 105 N 0.83 0.56 -0.88 0.57 0.02 -0.84 -2.59 113.55 111.21 1vet h SER 105 Ca 0.17 -0.31 0.03 0.00 -0.84 0.00 0.00 61.79 60.85 1vet h SER 105 Cb 0.39 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.72 1vet h SER 105 CO 0.01 0.73 0.57 0.25 -1.14 0.00 0.00 176.83 177.25 1vet h LEU 106 N 0.37 0.95 -0.83 5.07 5.85 -0.98 -1.66 115.31 124.08 1vet h LEU 106 Ca 0.09 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1vet h LEU 106 Cb 0.44 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1vet h LEU 106 CO 0.02 0.65 0.52 -0.08 -0.34 0.00 0.00 178.44 179.20 1vet h GLU 107 N 1.10 1.11 -0.42 1.25 4.22 -1.17 0.21 114.58 120.89 1vet h GLU 107 Ca 0.35 -0.09 -0.00 0.00 0.08 0.00 0.00 59.36 59.71 1vet h GLU 107 Cb 0.01 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 1vet h GLU 107 CO -0.12 0.76 0.25 0.87 -2.18 0.00 0.00 179.01 178.59 1vet h LYS 108 N 1.13 0.56 -0.12 1.92 1.57 -0.93 0.03 116.57 120.74 1vet h LYS 108 Ca 0.30 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.96 1vet h LYS 108 Cb -0.08 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1vet h LYS 108 CO -0.06 0.42 -0.23 1.49 -0.57 0.00 0.00 179.45 180.50 1vet h GLU 109 N 0.55 0.20 0.00 3.15 4.81 -0.94 -3.01 114.58 119.34 1vet h GLU 109 Ca 0.15 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1vet h GLU 109 Cb -0.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1vet h GLU 109 CO -0.03 0.43 -0.64 1.28 -0.73 0.00 0.00 179.01 179.32 1vet n LEU 110 N -4.19 0.59 -0.23 1.64 4.77 0.02 -4.40 117.00 115.20 1vet n LEU 110 Ca -0.01 0.04 0.03 0.00 -0.03 0.00 0.00 56.01 56.04 1vet n LEU 110 Cb 0.34 -0.20 0.13 0.00 -2.33 0.00 0.00 43.42 41.36 1vet n LEU 110 CO 0.39 0.07 0.83 0.00 -1.33 0.00 0.00 177.39 177.35 1vet h ALA 111 N 2.79 0.71 -0.00 -1.18 0.00 -0.85 0.37 119.26 121.09 1vet h ALA 111 Ca 0.00 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1vet h ALA 111 Cb 0.61 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1vet h ALA 111 CO 0.00 -0.40 -0.01 -1.00 0.00 0.00 0.00 179.25 177.84 1vet h PRO 112 N 0.12 0.00 -0.15 0.00 0.13 -1.79 -0.85 132.00 129.46 1vet h PRO 112 Ca 0.37 -0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.34 1vet h PRO 112 Cb 0.63 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 1vet h PRO 112 CO -0.60 0.01 -0.59 -0.07 -0.23 0.00 0.00 178.00 176.52 1vet h LEU 113 N 0.00 0.54 -0.00 1.56 3.38 -1.22 -1.99 115.31 117.58 1vet h LEU 113 Ca 0.00 -0.30 -0.27 0.00 0.09 0.00 0.00 57.88 57.40 1vet h LEU 113 Cb 0.01 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 40.63 1vet h LEU 113 CO 0.00 1.01 -1.10 -0.26 0.09 0.00 0.00 178.44 178.18 1vet h PHE 114 N 0.36 0.87 -0.42 1.13 0.05 -1.12 -2.97 116.94 114.84 1vet h PHE 114 Ca -0.00 -0.51 0.05 0.00 3.82 0.00 0.00 57.97 61.33 1vet h PHE 114 Cb 1.13 -0.09 -0.04 0.00 2.00 0.00 0.00 35.95 38.95 1vet h PHE 114 CO 0.04 1.35 0.16 0.93 -0.18 0.00 0.00 178.31 180.61 1vet h GLU 115 N 0.29 0.32 -0.50 1.51 4.39 -1.12 0.65 114.58 120.13 1vet h GLU 115 Ca -0.13 -0.02 0.14 0.00 0.34 0.00 0.00 59.36 59.69 1vet h GLU 115 Cb 1.75 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 30.31 1vet h GLU 115 CO 0.20 0.21 0.36 0.93 -1.16 0.00 0.00 179.01 179.55 1vet h GLU 116 N 0.33 0.01 0.00 2.33 5.08 -1.34 -2.82 114.58 118.17 1vet h GLU 116 Ca 0.19 -0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.41 1vet h GLU 116 Cb 0.16 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1vet h GLU 116 CO -0.18 0.00 -1.15 1.25 -1.00 0.00 0.00 179.01 177.93 1vet h LEU 117 N 0.01 0.00 0.00 1.33 5.85 0.34 -3.41 115.31 119.43 1vet h LEU 117 Ca 0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1vet h LEU 117 Cb 0.94 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1vet h LEU 117 CO -0.00 0.50 0.00 2.30 -0.34 0.00 0.00 178.44 180.90 1vet n ILE 118 N -2.95 0.00 1.75 4.05 -6.64 0.28 -3.70 119.36 112.14 1vet n ILE 118 Ca -0.06 0.00 0.15 0.00 -1.77 0.00 0.00 62.75 61.07 1vet n ILE 118 Cb 0.79 -0.90 0.78 0.00 -1.44 0.00 0.00 39.64 38.86 1vet n ILE 118 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 1vet n LYS 119 N -0.95 1.10 -0.03 6.28 4.76 -1.26 -3.67 118.16 124.39 1vet n LYS 119 Ca 0.02 -0.30 -0.10 0.00 -2.87 0.00 0.00 58.31 55.06 1vet n LYS 119 Cb 0.01 -1.49 -0.14 0.00 -1.84 0.00 0.00 35.03 31.56 1vet n LYS 119 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1vet n VAL 120 N -0.69 1.60 0.08 -0.18 0.31 -1.24 -4.58 118.33 113.63 1vet n VAL 120 Ca 0.21 -0.79 -0.06 0.00 -0.01 0.00 0.00 64.34 63.69 1vet n VAL 120 Cb 0.21 -1.05 -0.04 0.00 -0.91 0.00 0.00 33.84 32.05 1vet n VAL 120 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1vet h VAL 121 N 0.01 0.22 -1.00 2.52 2.07 -1.85 -3.50 116.25 114.72 1vet h VAL 121 Ca -0.33 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.29 1vet h VAL 121 Cb 2.04 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1vet h VAL 121 CO 0.07 0.06 0.00 -1.84 0.02 0.00 0.00 177.57 175.89 1vet n GLU 122 N -4.96 0.00 0.00 1.57 -0.00 -1.25 -5.10 120.64 110.89 1vet n GLU 122 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.11 1vet n GLU 122 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.61 1vet n GLU 122 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46