#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vxs h PRO 37 N 0.00 0.07 -0.74 1.20 0.11 -1.98 -2.31 132.00 128.36 2vxs h PRO 37 Ca 0.00 -0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.25 2vxs h PRO 37 Cb 0.00 -0.01 -0.14 0.00 0.11 0.00 0.00 31.00 30.96 2vxs h PRO 37 CO 0.00 0.04 -0.21 0.87 -0.21 0.00 0.00 178.00 178.49 2vxs h LYS 38 N 0.07 -0.02 0.00 1.05 1.57 -2.02 -1.14 116.57 116.07 2vxs h LYS 38 Ca 0.65 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.44 2vxs h LYS 38 Cb 1.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.78 2vxs h LYS 38 CO -0.81 -0.01 0.12 0.00 -0.57 0.00 0.00 179.45 178.18 2vxs h ARG 39 N -0.02 0.00 0.00 3.15 3.08 -1.89 -1.57 114.38 117.13 2vxs h ARG 39 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 2vxs h ARG 39 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2vxs h ARG 39 CO -0.77 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.00 2vxs n SER 40 N -2.39 0.27 -3.70 7.04 3.41 -0.50 -5.02 113.62 112.73 2vxs n SER 40 Ca -0.02 -0.61 -0.11 0.00 -0.26 0.00 0.00 58.87 57.87 2vxs n SER 40 Cb 0.16 0.61 -0.11 0.00 -0.26 0.00 0.00 64.21 64.61 2vxs n SER 40 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2vxs s SER 41 N -0.61 -0.38 0.31 4.04 0.15 -0.59 -5.04 113.70 111.58 2vxs s SER 41 Ca 0.00 0.78 0.15 0.00 0.70 0.00 0.00 55.95 57.58 2vxs s SER 41 Cb 0.00 0.71 0.39 0.00 -1.71 0.00 0.00 66.02 65.42 2vxs s SER 41 CO 0.00 -0.19 1.60 0.44 1.20 0.00 0.00 173.24 176.29 2vxs h ASP 42 N 7.30 0.00 -1.00 5.45 5.19 -1.89 -3.40 116.42 128.08 2vxs h ASP 42 Ca -0.35 0.00 0.29 0.00 -0.62 0.00 0.00 57.03 56.35 2vxs h ASP 42 Cb 1.17 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.54 2vxs h ASP 42 CO 0.29 0.52 0.56 1.88 -3.12 0.00 0.00 179.24 179.37 2vxs h TYR 43 N 0.00 0.93 -0.72 4.55 0.99 -1.96 0.20 116.97 120.96 2vxs h TYR 43 Ca -0.01 0.04 0.21 0.00 2.00 0.00 0.00 58.73 60.97 2vxs h TYR 43 Cb 1.13 -0.25 -0.03 0.00 1.00 0.00 0.00 36.73 38.59 2vxs h TYR 43 CO 0.00 -0.09 0.81 0.10 -0.00 0.00 0.00 178.16 178.98 2vxs h TYR 44 N 0.41 0.00 0.00 4.88 -0.00 -1.87 0.62 116.97 121.02 2vxs h TYR 44 Ca 0.69 0.00 -0.16 0.00 -0.00 0.00 0.00 58.73 59.26 2vxs h TYR 44 Cb 1.48 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 38.18 2vxs h TYR 44 CO -0.02 0.00 -1.82 -1.71 -0.00 0.00 0.00 178.16 174.61 2vxs n ASN 45 N -3.50 1.75 -0.04 0.10 2.85 0.68 -1.75 115.26 115.35 2vxs n ASN 45 Ca 0.15 0.00 0.10 0.00 -0.11 0.00 0.00 54.58 54.72 2vxs n ASN 45 Cb 1.05 1.10 -0.11 0.00 1.24 0.00 0.00 39.78 43.07 2vxs n ASN 45 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2vxs n ARG 46 N -2.32 0.15 -1.80 1.20 1.74 -0.49 -4.92 116.66 110.22 2vxs n ARG 46 Ca -0.15 -0.08 -0.34 0.00 -0.77 0.00 0.00 57.85 56.51 2vxs n ARG 46 Cb 0.74 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.74 2vxs n ARG 46 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2vxs s SER 47 N -2.94 4.97 0.10 0.55 0.15 0.09 -4.94 113.70 111.68 2vxs s SER 47 Ca 0.09 2.21 0.26 0.00 0.70 0.00 0.00 55.95 59.20 2vxs s SER 47 Cb 0.16 -2.58 0.99 0.00 -1.71 0.00 0.00 66.02 62.88 2vxs s SER 47 CO 0.84 -1.73 1.80 0.35 1.20 0.00 0.00 173.24 175.69 2vxs n THR 48 N -2.16 0.41 -3.27 6.45 -2.24 -1.26 -3.30 114.28 108.91 2vxs n THR 48 Ca 0.12 -0.05 -0.27 0.00 -2.27 0.00 0.00 64.05 61.58 2vxs n THR 48 Cb 0.51 -0.66 -0.07 0.00 -2.10 0.00 0.00 70.33 68.01 2vxs n THR 48 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2vxs n SER 49 N -1.85 3.95 -4.73 3.42 3.41 -1.26 0.78 113.62 117.34 2vxs n SER 49 Ca 0.06 -3.51 -0.37 0.00 -0.26 0.00 0.00 58.87 54.78 2vxs n SER 49 Cb 0.34 -0.64 0.07 0.00 -0.26 0.00 0.00 64.21 63.73 2vxs n SER 49 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2vxs s PRO 50 N -2.77 2.51 0.08 4.33 0.04 -1.21 -4.52 135.00 133.47 2vxs s PRO 50 Ca 0.43 2.06 0.02 0.00 0.04 0.00 0.00 61.00 63.55 2vxs s PRO 50 Cb 0.19 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.85 2vxs s PRO 50 CO -0.05 -1.63 -0.08 1.67 0.04 0.00 0.00 177.00 176.96 2vxs s TRP 51 N -1.41 0.85 0.26 0.56 -2.14 -0.71 -0.82 118.94 115.53 2vxs s TRP 51 Ca 0.82 -0.75 0.06 0.00 2.66 0.00 0.00 56.10 58.89 2vxs s TRP 51 Cb -0.37 -0.49 -0.03 0.00 -3.10 0.00 0.00 33.47 29.48 2vxs s TRP 51 CO 0.40 -0.10 0.37 -0.80 -2.66 0.00 0.00 176.95 174.16 2vxs s ASN 52 N -2.50 6.17 -0.12 -2.66 0.01 0.18 -4.68 114.94 111.34 2vxs s ASN 52 Ca 0.04 -0.02 0.01 0.00 -0.71 0.00 0.00 52.86 52.19 2vxs s ASN 52 Cb -0.01 -1.68 -0.01 0.00 0.41 0.00 0.00 41.25 39.96 2vxs s ASN 52 CO -0.02 -0.14 -0.17 -0.76 -1.51 0.00 0.00 177.10 174.49 2vxs s LEU 53 N -4.01 2.48 -0.14 0.60 1.43 -1.26 -0.76 118.68 117.02 2vxs s LEU 53 Ca 0.36 -0.42 -0.06 0.00 -1.03 0.00 0.00 54.13 52.98 2vxs s LEU 53 Cb -0.09 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 2vxs s LEU 53 CO 0.29 0.15 0.09 -1.00 0.23 0.00 0.00 176.35 176.11 2vxs s HIS 54 N 0.41 3.38 0.30 0.29 3.76 -0.00 -4.93 115.29 118.49 2vxs s HIS 54 Ca -0.13 0.29 -0.28 0.00 -0.15 0.00 0.00 55.06 54.79 2vxs s HIS 54 Cb -0.17 -1.98 -0.09 0.00 1.11 0.00 0.00 32.58 31.45 2vxs s HIS 54 CO 0.06 0.45 1.05 0.50 -0.85 0.00 0.00 174.74 175.94 2vxs s ARG 55 N -0.39 4.58 -0.05 1.40 3.52 -1.26 -1.73 118.95 125.01 2vxs s ARG 55 Ca 0.10 1.66 -0.02 0.00 -0.13 0.00 0.00 55.73 57.33 2vxs s ARG 55 Cb -0.12 -3.05 0.04 0.00 -1.56 0.00 0.00 34.95 30.25 2vxs s ARG 55 CO 0.02 0.21 0.10 1.21 -0.81 0.00 0.00 175.30 176.02 2vxs s ASN 56 N -1.12 0.72 0.39 -2.12 2.47 -1.03 -4.93 114.94 109.32 2vxs s ASN 56 Ca 0.47 0.18 0.07 0.00 0.42 0.00 0.00 52.86 54.00 2vxs s ASN 56 Cb -0.28 0.04 -0.08 0.00 -1.45 0.00 0.00 41.25 39.49 2vxs s ASN 56 CO 0.36 -0.22 -0.01 -1.61 -3.72 0.00 0.00 177.10 171.90 2vxs s GLU 57 N 1.94 1.90 0.00 0.43 2.02 -1.26 -1.41 118.70 122.33 2vxs s GLU 57 Ca 0.01 -2.06 0.00 0.00 0.02 0.00 0.00 54.97 52.94 2vxs s GLU 57 Cb -0.12 -1.59 0.00 0.00 0.10 0.00 0.00 34.13 32.52 2vxs s GLU 57 CO -0.04 -0.02 0.00 -3.47 0.02 0.00 0.00 175.26 171.75 2vxs n ASP 58 N -0.91 0.00 0.00 -0.19 2.03 -1.00 -5.00 116.55 111.48 2vxs n ASP 58 Ca -0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.26 2vxs n ASP 58 Cb 0.66 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.06 2vxs n ASP 58 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2vxs n ARG 61 N 0.00 0.00 -4.27 -0.67 0.63 -1.26 -5.08 116.66 106.01 2vxs n ARG 61 Ca 0.00 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.65 2vxs n ARG 61 Cb 0.00 0.00 -0.17 0.00 0.45 0.00 0.00 32.46 32.74 2vxs n ARG 61 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 2vxs s TYR 62 N -1.58 1.91 0.39 -0.14 5.04 -1.26 -1.66 117.35 120.06 2vxs s TYR 62 Ca 0.00 -0.95 -0.25 0.00 -2.44 0.00 0.00 57.07 53.43 2vxs s TYR 62 Cb 0.00 -1.41 -0.09 0.00 0.35 0.00 0.00 41.96 40.81 2vxs s TYR 62 CO 0.00 -0.52 1.17 -1.25 -1.34 0.00 0.00 175.55 173.61 2vxs s PRO 63 N 1.20 4.10 0.29 4.97 0.04 -1.26 -2.07 135.00 142.26 2vxs s PRO 63 Ca -0.02 1.84 0.01 0.00 0.04 0.00 0.00 61.00 62.87 2vxs s PRO 63 Cb -0.14 -2.71 0.43 0.00 0.04 0.00 0.00 34.50 32.12 2vxs s PRO 63 CO -0.05 -0.28 1.77 1.03 0.04 0.00 0.00 177.00 179.52 2vxs h SER 64 N 2.71 0.59 -3.20 6.66 0.87 -1.70 -3.42 113.55 116.06 2vxs h SER 64 Ca -0.49 -0.15 -0.67 0.00 -1.23 0.00 0.00 61.79 59.25 2vxs h SER 64 Cb 1.23 -0.16 -0.33 0.00 -0.44 0.00 0.00 62.40 62.70 2vxs h SER 64 CO 0.63 0.72 -0.82 -0.69 -0.53 0.00 0.00 176.83 176.14 2vxs s VAL 65 N -4.80 2.38 -0.06 2.23 1.01 -1.26 -2.37 120.40 117.53 2vxs s VAL 65 Ca -0.08 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.06 2vxs s VAL 65 Cb 0.14 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 2vxs s VAL 65 CO 0.79 0.47 -0.23 0.27 0.00 0.00 0.00 175.10 176.40 2vxs s ILE 66 N 1.32 1.92 -0.29 2.22 -4.36 -0.50 -4.98 121.20 116.53 2vxs s ILE 66 Ca 0.04 -0.98 -0.13 0.00 -0.26 0.00 0.00 60.65 59.32 2vxs s ILE 66 Cb -0.14 -1.63 -0.04 0.00 1.25 0.00 0.00 42.46 41.90 2vxs s ILE 66 CO -0.10 0.54 0.28 0.26 0.24 0.00 0.00 174.94 176.15 2vxs s TRP 67 N -0.05 3.23 0.18 1.37 0.51 -1.26 -2.46 118.94 120.45 2vxs s TRP 67 Ca -0.06 0.16 -0.13 0.00 -2.12 0.00 0.00 56.10 53.95 2vxs s TRP 67 Cb -0.14 -2.49 -0.07 0.00 -0.81 0.00 0.00 33.47 29.96 2vxs s TRP 67 CO 0.04 -0.24 0.56 -1.21 -0.51 0.00 0.00 176.95 175.59 2vxs s GLU 68 N 1.89 3.93 -0.05 4.98 2.02 -0.71 -4.86 118.70 125.90 2vxs s GLU 68 Ca 0.10 0.44 -0.08 0.00 0.02 0.00 0.00 54.97 55.45 2vxs s GLU 68 Cb -0.16 -2.82 -0.04 0.00 0.10 0.00 0.00 34.13 31.20 2vxs s GLU 68 CO 0.11 0.41 0.23 0.00 0.02 0.00 0.00 175.26 176.03 2vxs s ALA 69 N -1.59 3.85 -0.18 5.21 0.00 -0.70 -0.82 121.76 127.52 2vxs s ALA 69 Ca 0.41 -0.56 -0.05 0.00 0.00 0.00 0.00 51.96 51.76 2vxs s ALA 69 Cb -0.14 -2.06 0.07 0.00 0.00 0.00 0.00 23.12 20.99 2vxs s ALA 69 CO 0.20 0.62 0.10 0.21 0.00 0.00 0.00 175.76 176.89 2vxs s LYS 70 N -1.35 0.08 0.17 0.00 2.47 0.06 -4.74 119.74 116.43 2vxs s LYS 70 Ca 0.21 -0.11 -0.33 0.00 -1.56 0.00 0.00 55.97 54.18 2vxs s LYS 70 Cb -0.13 -1.73 -0.15 0.00 -1.46 0.00 0.00 37.83 34.36 2vxs s LYS 70 CO 0.11 -0.71 1.31 0.00 0.16 0.00 0.00 175.35 176.22 2vxs h ARG 72 N 4.12 0.31 -5.31 0.00 3.08 -1.30 -3.45 114.38 111.83 2vxs h ARG 72 Ca -0.45 -0.18 -0.39 0.00 0.07 0.00 0.00 59.98 59.03 2vxs h ARG 72 Cb 1.31 0.02 -0.15 0.00 0.08 0.00 0.00 29.97 31.23 2vxs h ARG 72 CO 0.75 0.75 -0.73 -1.01 -1.07 0.00 0.00 179.97 178.66 2vxs s HIS 73 N -3.96 1.45 -0.06 3.04 3.76 -1.26 -5.04 115.29 113.21 2vxs s HIS 73 Ca -0.05 -0.65 -0.24 0.00 -0.15 0.00 0.00 55.06 53.97 2vxs s HIS 73 Cb 0.12 -0.71 -0.25 0.00 1.11 0.00 0.00 32.58 32.86 2vxs s HIS 73 CO 0.80 0.19 0.99 1.25 -0.85 0.00 0.00 174.74 177.12 2vxs h LEU 74 N 2.86 0.24 0.00 0.89 5.85 -1.90 -3.38 115.31 119.87 2vxs h LEU 74 Ca -0.38 -0.82 -0.38 0.00 0.84 0.00 0.00 57.88 57.15 2vxs h LEU 74 Cb 1.20 -0.08 0.17 0.00 0.37 0.00 0.00 40.66 42.33 2vxs h LEU 74 CO 0.60 1.03 0.23 0.61 -0.34 0.00 0.00 178.44 180.58 2vxs n GLY 75 N 1.17 -2.19 3.54 3.75 0.00 -1.26 -0.27 105.19 109.93 2vxs n GLY 75 Ca -0.10 -1.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.02 2vxs n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vxs s ILE 77 N -1.05 4.68 0.45 0.00 -4.36 0.23 -0.32 121.20 120.83 2vxs s ILE 77 Ca 0.18 1.92 0.07 0.00 -0.26 0.00 0.00 60.65 62.56 2vxs s ILE 77 Cb -0.11 -4.25 0.07 0.00 1.25 0.00 0.00 42.46 39.42 2vxs s ILE 77 CO 0.09 0.29 0.61 -0.46 0.24 0.00 0.00 174.94 175.71 2vxs n ASN 78 N 3.12 1.63 0.00 4.36 6.94 0.25 -4.67 115.26 126.89 2vxs n ASN 78 Ca 0.02 -2.19 0.00 0.00 -0.02 0.00 0.00 54.58 52.39 2vxs n ASN 78 Cb 0.50 -0.32 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 2vxs n ASN 78 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2vxs n ALA 79 N -2.48 0.88 -0.00 -2.53 0.00 -1.26 -0.37 120.51 114.75 2vxs n ALA 79 Ca -0.10 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.36 2vxs n ALA 79 Cb 0.46 -0.65 -0.05 0.00 0.00 0.00 0.00 19.45 19.21 2vxs n ALA 79 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2vxs n ASP 80 N -0.98 3.64 0.00 0.00 10.43 -1.26 -5.01 116.55 123.37 2vxs n ASP 80 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 2vxs n ASP 80 Cb 0.05 1.21 0.00 0.00 1.84 0.00 0.00 41.12 44.23 2vxs n ASP 80 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2vxs n GLY 81 N 2.21 1.06 3.93 0.44 0.00 0.51 -5.11 105.19 108.22 2vxs n GLY 81 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 2vxs n GLY 81 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2vxs s ASN 82 N -2.00 6.38 -0.26 1.61 0.01 -1.26 -4.78 114.94 114.63 2vxs s ASN 82 Ca 0.00 0.48 -0.29 0.00 -0.71 0.00 0.00 52.86 52.34 2vxs s ASN 82 Cb 0.00 -2.04 -0.00 0.00 0.41 0.00 0.00 41.25 39.61 2vxs s ASN 82 CO 0.00 -0.14 1.30 -0.69 -1.51 0.00 0.00 177.10 176.06 2vxs s VAL 83 N -2.04 4.16 -0.25 1.60 1.01 -1.26 -0.59 120.40 123.04 2vxs s VAL 83 Ca 0.40 1.33 -0.08 0.00 0.00 0.00 0.00 61.98 63.63 2vxs s VAL 83 Cb -0.10 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 2vxs s VAL 83 CO 0.31 -0.38 0.09 -0.62 0.00 0.00 0.00 175.10 174.50 2vxs s ASP 84 N 2.65 5.36 -0.12 3.32 -1.08 0.57 -4.92 116.67 122.45 2vxs s ASP 84 Ca 0.56 -0.13 0.15 0.00 -0.52 0.00 0.00 52.55 52.62 2vxs s ASP 84 Cb -0.18 -1.97 0.65 0.00 -1.46 0.00 0.00 42.92 39.96 2vxs s ASP 84 CO 0.21 -0.01 1.54 -1.22 0.52 0.00 0.00 175.17 176.21 2vxs n TYR 85 N 4.77 1.41 1.76 -5.34 4.01 -1.26 -2.14 117.16 120.36 2vxs n TYR 85 Ca -0.16 -0.54 0.15 0.00 -0.16 0.00 0.00 57.90 57.19 2vxs n TYR 85 Cb 0.52 -0.26 0.87 0.00 -0.31 0.00 0.00 39.34 40.15 2vxs n TYR 85 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2vxs n HIS 86 N 0.91 0.00 -4.17 -0.72 8.25 -1.26 -4.87 115.22 113.36 2vxs n HIS 86 Ca 0.23 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.56 2vxs n HIS 86 Cb 0.85 -0.11 -0.08 0.00 1.12 0.00 0.00 29.99 31.77 2vxs n HIS 86 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2vxs s MET 87 N -2.21 1.48 0.05 -0.41 -1.94 -1.23 -4.42 119.30 110.62 2vxs s MET 87 Ca 0.40 -1.66 0.04 0.00 -1.71 0.00 0.00 55.69 52.76 2vxs s MET 87 Cb 0.21 0.34 -0.02 0.00 2.01 0.00 0.00 34.83 37.37 2vxs s MET 87 CO 0.40 -0.54 -0.13 -0.80 -0.01 0.00 0.00 175.02 173.94 2vxs s ASN 88 N -3.19 1.50 -0.08 3.03 0.02 -0.74 -4.04 114.94 111.44 2vxs s ASN 88 Ca 0.35 -0.52 -0.22 0.00 -1.02 0.00 0.00 52.86 51.45 2vxs s ASN 88 Cb 0.04 -0.06 -0.04 0.00 0.02 0.00 0.00 41.25 41.21 2vxs s ASN 88 CO 0.16 -0.05 0.65 -0.44 0.02 0.00 0.00 177.10 177.44 2vxs s SER 89 N -1.41 6.92 0.01 -1.22 0.01 0.63 -1.34 113.70 117.30 2vxs s SER 89 Ca -0.02 1.11 0.03 0.00 1.31 0.00 0.00 55.95 58.38 2vxs s SER 89 Cb -0.09 -2.38 -0.01 0.00 0.21 0.00 0.00 66.02 63.75 2vxs s SER 89 CO 0.01 -0.09 -0.09 0.68 0.41 0.00 0.00 173.24 174.17 2vxs s VAL 90 N 0.74 0.72 0.37 3.43 -7.23 -0.41 -4.87 120.40 113.15 2vxs s VAL 90 Ca 0.35 -0.63 -0.26 0.00 -1.81 0.00 0.00 61.98 59.63 2vxs s VAL 90 Cb -0.17 -0.65 -0.09 0.00 0.56 0.00 0.00 36.38 36.03 2vxs s VAL 90 CO 0.16 0.03 1.13 -2.16 -0.31 0.00 0.00 175.10 173.96 2vxs s PRO 91 N -0.66 4.23 -0.33 4.82 0.04 -1.26 -0.91 135.00 140.92 2vxs s PRO 91 Ca 0.00 1.77 -0.14 0.00 0.04 0.00 0.00 61.00 62.67 2vxs s PRO 91 Cb -0.05 -2.78 -0.02 0.00 0.04 0.00 0.00 34.50 31.69 2vxs s PRO 91 CO 0.00 -0.15 0.33 0.42 0.04 0.00 0.00 177.00 177.64 2vxs s ILE 92 N -1.40 5.20 0.04 0.56 1.01 0.16 -4.83 121.20 121.94 2vxs s ILE 92 Ca 0.54 0.03 -0.10 0.00 0.00 0.00 0.00 60.65 61.11 2vxs s ILE 92 Cb -0.29 -3.78 -0.06 0.00 0.01 0.00 0.00 42.46 38.34 2vxs s ILE 92 CO 0.37 -0.04 0.37 -1.10 0.00 0.00 0.00 174.94 174.54 2vxs s GLN 93 N 1.95 3.75 -0.06 2.79 -0.21 -1.26 -0.59 119.66 126.03 2vxs s GLN 93 Ca 0.11 0.17 0.02 0.00 0.02 0.00 0.00 55.36 55.68 2vxs s GLN 93 Cb -0.17 -3.06 0.01 0.00 1.00 0.00 0.00 33.01 30.79 2vxs s GLN 93 CO 0.11 0.61 -0.12 -1.14 -2.12 0.00 0.00 175.29 172.63 2vxs s GLN 94 N -1.68 1.61 -0.52 2.91 2.00 0.10 -4.90 119.66 119.18 2vxs s GLN 94 Ca 0.30 -0.40 -0.27 0.00 -2.00 0.00 0.00 55.36 52.98 2vxs s GLN 94 Cb -0.14 -1.35 0.03 0.00 0.80 0.00 0.00 33.01 32.35 2vxs s GLN 94 CO 0.16 0.04 1.07 -2.00 -0.50 0.00 0.00 175.29 174.06 2vxs s GLU 95 N 0.61 3.55 -0.01 1.67 2.12 -1.26 -1.26 118.70 124.11 2vxs s GLU 95 Ca -0.13 0.23 0.01 0.00 0.36 0.00 0.00 54.97 55.44 2vxs s GLU 95 Cb -0.15 -3.97 -0.04 0.00 0.26 0.00 0.00 34.13 30.24 2vxs s GLU 95 CO 0.03 -1.45 -0.00 -1.50 -0.54 0.00 0.00 175.26 171.80 2vxs s ILE 96 N 4.34 4.15 -0.13 -3.70 2.07 -0.61 -4.94 121.20 122.38 2vxs s ILE 96 Ca 0.41 -0.56 -0.19 0.00 -1.41 0.00 0.00 60.65 58.89 2vxs s ILE 96 Cb -0.09 -2.83 -0.04 0.00 0.13 0.00 0.00 42.46 39.63 2vxs s ILE 96 CO 0.26 0.41 0.54 -1.48 -1.91 0.00 0.00 174.94 172.77 2vxs s LEU 97 N -1.45 4.25 0.00 8.50 0.05 -1.26 -1.39 118.68 127.38 2vxs s LEU 97 Ca 0.18 0.87 0.00 0.00 0.05 0.00 0.00 54.13 55.23 2vxs s LEU 97 Cb -0.11 -2.79 0.00 0.00 -2.05 0.00 0.00 46.19 41.24 2vxs s LEU 97 CO 0.09 -0.07 0.00 1.33 -0.55 0.00 0.00 176.35 177.15 2vxs n VAL 98 N 3.90 0.00 -4.42 1.48 0.24 0.41 -4.93 118.33 115.01 2vxs n VAL 98 Ca -0.05 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.03 2vxs n VAL 98 Cb 0.51 -0.12 -0.13 0.00 -1.47 0.00 0.00 33.84 32.63 2vxs n VAL 98 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2vxs s LEU 99 N 0.00 2.18 0.00 1.34 2.96 -0.88 -2.72 118.68 121.56 2vxs s LEU 99 Ca 0.00 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.42 2vxs s LEU 99 Cb 0.00 -0.72 0.00 0.00 0.50 0.00 0.00 46.19 45.97 2vxs s LEU 99 CO 0.00 0.07 0.00 -1.14 -1.32 0.00 0.00 176.35 173.96 2vxs n ARG 111 N 1.82 0.00 -3.22 1.98 3.00 -1.26 -4.29 116.66 114.70 2vxs n ARG 111 Ca -0.18 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.28 2vxs n ARG 111 Cb 0.54 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.94 2vxs n ARG 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2vxs s LEU 112 N 0.00 4.51 -0.01 6.15 1.43 -1.26 -5.09 118.68 124.41 2vxs s LEU 112 Ca 0.00 1.29 -0.00 0.00 -1.03 0.00 0.00 54.13 54.38 2vxs s LEU 112 Cb 0.00 -2.96 0.02 0.00 0.03 0.00 0.00 46.19 43.28 2vxs s LEU 112 CO 0.00 0.22 0.02 -1.61 0.23 0.00 0.00 176.35 175.21 2vxs s GLU 113 N -0.86 -0.02 -0.23 1.70 2.02 -1.10 -5.01 118.70 115.20 2vxs s GLU 113 Ca 0.30 0.10 -0.06 0.00 0.02 0.00 0.00 54.97 55.34 2vxs s GLU 113 Cb -0.20 -0.12 -0.02 0.00 0.10 0.00 0.00 34.13 33.89 2vxs s GLU 113 CO 0.19 -0.08 0.01 -1.59 0.02 0.00 0.00 175.26 173.81 2vxs s LYS 114 N 0.54 3.56 0.23 1.61 -2.85 -1.26 0.16 119.74 121.72 2vxs s LYS 114 Ca -0.04 -0.53 0.09 0.00 -1.00 0.00 0.00 55.97 54.48 2vxs s LYS 114 Cb -0.06 -3.15 -0.05 0.00 -2.06 0.00 0.00 37.83 32.50 2vxs s LYS 114 CO -0.02 -0.13 -0.16 0.96 0.10 0.00 0.00 175.35 176.10 2vxs s ILE 115 N 1.38 1.99 -0.25 3.79 -4.36 -0.49 -4.96 121.20 118.29 2vxs s ILE 115 Ca 0.05 -2.26 -0.09 0.00 -0.26 0.00 0.00 60.65 58.09 2vxs s ILE 115 Cb -0.15 -2.12 -0.04 0.00 1.25 0.00 0.00 42.46 41.41 2vxs s ILE 115 CO 0.01 -0.52 0.11 -0.76 0.24 0.00 0.00 174.94 174.03 2vxs s LEU 116 N -3.35 3.71 0.01 0.37 1.43 -1.26 -1.57 118.68 118.02 2vxs s LEU 116 Ca 0.25 -0.09 0.07 0.00 -1.03 0.00 0.00 54.13 53.32 2vxs s LEU 116 Cb -0.02 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 2vxs s LEU 116 CO 0.09 -0.01 -0.22 0.68 0.23 0.00 0.00 176.35 177.13 2vxs s VAL 117 N 1.51 1.72 -0.11 -1.59 -7.23 -0.39 -4.93 120.40 109.38 2vxs s VAL 117 Ca 0.06 -1.07 -0.29 0.00 -1.81 0.00 0.00 61.98 58.87 2vxs s VAL 117 Cb -0.15 -1.46 -0.03 0.00 0.56 0.00 0.00 36.38 35.30 2vxs s VAL 117 CO 0.06 0.37 1.39 -0.44 -0.31 0.00 0.00 175.10 176.17 2vxs s SER 118 N -0.83 6.86 0.04 4.85 0.01 -1.26 0.01 113.70 123.38 2vxs s SER 118 Ca 0.08 1.90 0.12 0.00 1.31 0.00 0.00 55.95 59.36 2vxs s SER 118 Cb -0.09 -2.54 -0.19 0.00 0.21 0.00 0.00 66.02 63.42 2vxs s SER 118 CO 0.00 -0.80 0.90 0.58 0.41 0.00 0.00 173.24 174.34 2vxs h VAL 119 N 5.45 1.02 0.00 3.43 2.07 -1.19 -1.86 116.25 125.17 2vxs h VAL 119 Ca -0.32 -2.74 0.00 0.00 0.82 0.00 0.00 66.70 64.46 2vxs h VAL 119 Cb 1.13 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 2vxs h VAL 119 CO 0.96 0.58 0.00 0.61 0.02 0.00 0.00 177.57 179.73 2vxs n GLY 120 N 1.45 -1.79 3.62 2.17 0.00 -1.25 -4.80 105.19 104.60 2vxs n GLY 120 Ca -0.10 -1.12 -0.27 0.00 0.00 0.00 0.00 46.02 44.53 2vxs n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vxs s THR 122 N -1.71 1.52 -0.23 0.00 -1.32 -0.09 -4.87 115.64 108.94 2vxs s THR 122 Ca 0.26 -2.01 -0.06 0.00 -1.21 0.00 0.00 61.69 58.67 2vxs s THR 122 Cb -0.09 -2.83 -0.02 0.00 -1.51 0.00 0.00 72.50 68.05 2vxs s THR 122 CO 0.17 -0.03 0.03 0.00 -2.21 0.00 0.00 174.62 172.58 2vxs s VAL 124 N 1.48 4.92 0.08 0.00 -7.23 -0.45 -4.94 120.40 114.26 2vxs s VAL 124 Ca 0.06 -0.21 0.09 0.00 -1.81 0.00 0.00 61.98 60.10 2vxs s VAL 124 Cb -0.15 -3.20 -0.03 0.00 0.56 0.00 0.00 36.38 33.56 2vxs s VAL 124 CO 0.02 0.45 -0.23 0.28 -0.31 0.00 0.00 175.10 175.31 2vxs s THR 125 N -1.12 1.87 -0.20 5.32 -1.32 -1.26 -1.79 115.64 117.14 2vxs s THR 125 Ca 0.20 -1.43 0.28 0.00 -1.21 0.00 0.00 61.69 59.53 2vxs s THR 125 Cb -0.12 -1.65 0.36 0.00 -1.51 0.00 0.00 72.50 69.59 2vxs s THR 125 CO 0.10 0.14 1.79 1.55 -2.21 0.00 0.00 174.62 175.99 2vxs h PRO 126 N 4.46 0.00 -6.57 7.08 0.13 -2.01 -3.45 132.00 131.64 2vxs h PRO 126 Ca -0.46 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.15 2vxs h PRO 126 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2vxs h PRO 126 CO 0.42 0.00 0.42 0.42 -0.23 0.00 0.00 178.00 179.03 2vxs s ILE 127 N -3.42 4.27 0.00 -3.56 -1.09 -1.26 -5.25 121.20 110.89 2vxs s ILE 127 Ca 0.04 1.85 0.00 0.00 -2.23 0.00 0.00 60.65 60.31 2vxs s ILE 127 Cb 0.07 -4.18 0.00 0.00 -1.58 0.00 0.00 42.46 36.77 2vxs s ILE 127 CO 0.61 0.27 0.00 0.55 -1.23 0.00 0.00 174.94 175.13