#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zvs s GLN 2 N 0.00 4.03 -0.13 9.51 -0.21 -1.26 -4.82 119.66 126.79 1zvs s GLN 2 Ca 0.00 -0.28 -0.04 0.00 0.02 0.00 0.00 55.36 55.06 1zvs s GLN 2 Cb 0.00 -3.58 -0.04 0.00 1.00 0.00 0.00 33.01 30.40 1zvs s GLN 2 CO 0.00 -0.01 0.03 1.03 -2.12 0.00 0.00 175.29 174.22 1zvs s ARG 3 N 1.27 3.40 0.15 2.91 0.52 -0.60 -4.96 118.95 121.65 1zvs s ARG 3 Ca 0.07 -0.37 -0.27 0.00 -0.52 0.00 0.00 55.73 54.64 1zvs s ARG 3 Cb -0.14 -2.97 -0.07 0.00 0.52 0.00 0.00 34.95 32.28 1zvs s ARG 3 CO 0.06 0.53 0.84 -0.08 0.02 0.00 0.00 175.30 176.68 1zvs s THR 4 N -0.40 4.40 0.54 0.02 -1.32 -1.26 -2.21 115.64 115.42 1zvs s THR 4 Ca 0.08 1.83 -0.21 0.00 -1.21 0.00 0.00 61.69 62.18 1zvs s THR 4 Cb -0.12 -4.20 -0.05 0.00 -1.51 0.00 0.00 72.50 66.62 1zvs s THR 4 CO 0.02 0.45 1.27 -2.16 -2.21 0.00 0.00 174.62 172.00 1zvs s PRO 5 N -0.74 3.20 -0.32 7.08 0.04 -1.26 -4.57 135.00 138.42 1zvs s PRO 5 Ca 0.39 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 63.35 1zvs s PRO 5 Cb -0.23 -2.19 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 1zvs s PRO 5 CO 0.27 -1.08 0.18 0.15 0.04 0.00 0.00 177.00 176.57 1zvs s LYS 6 N -2.99 3.35 0.36 4.56 1.02 0.22 -4.89 119.74 121.36 1zvs s LYS 6 Ca 0.72 -0.72 -0.09 0.00 0.02 0.00 0.00 55.97 55.90 1zvs s LYS 6 Cb -0.35 -3.65 -0.06 0.00 -0.52 0.00 0.00 37.83 33.25 1zvs s LYS 6 CO 0.41 -0.45 0.68 0.42 -0.92 0.00 0.00 175.35 175.50 1zvs s ILE 7 N 1.64 4.87 -0.30 2.17 -1.09 -1.26 -2.32 121.20 124.91 1zvs s ILE 7 Ca 0.05 0.42 -0.05 0.00 -2.23 0.00 0.00 60.65 58.84 1zvs s ILE 7 Cb -0.17 -3.73 0.17 0.00 -1.58 0.00 0.00 42.46 37.16 1zvs s ILE 7 CO 0.08 -0.43 0.69 -1.10 -1.23 0.00 0.00 174.94 172.95 1zvs s GLN 8 N -3.68 0.50 0.01 2.79 -0.21 -1.07 -4.99 119.66 113.01 1zvs s GLN 8 Ca 0.49 0.99 0.01 0.00 0.02 0.00 0.00 55.36 56.86 1zvs s GLN 8 Cb -0.10 0.57 -0.04 0.00 1.00 0.00 0.00 33.01 34.43 1zvs s GLN 8 CO 0.30 -0.45 0.05 0.08 -2.12 0.00 0.00 175.29 173.15 1zvs s VAL 9 N 2.86 4.47 -0.05 1.09 1.01 -1.26 -0.24 120.40 128.26 1zvs s VAL 9 Ca 0.11 -0.53 -0.31 0.00 0.00 0.00 0.00 61.98 61.25 1zvs s VAL 9 Cb -0.13 -3.03 0.12 0.00 0.00 0.00 0.00 36.38 33.34 1zvs s VAL 9 CO -0.19 0.34 1.35 -0.72 0.00 0.00 0.00 175.10 175.88 1zvs s TYR 10 N -1.17 -0.01 0.14 5.22 1.13 -0.55 -4.71 117.35 117.40 1zvs s TYR 10 Ca 0.22 -0.05 0.04 0.00 -1.41 0.00 0.00 57.07 55.87 1zvs s TYR 10 Cb -0.12 0.53 -0.04 0.00 -1.10 0.00 0.00 41.96 41.23 1zvs s TYR 10 CO 0.13 -0.15 0.15 -1.54 -2.51 0.00 0.00 175.55 171.63 1zvs s SER 11 N -3.23 5.67 0.21 -0.18 1.04 -1.26 -0.22 113.70 115.72 1zvs s SER 11 Ca 0.19 -0.05 -0.07 0.00 0.48 0.00 0.00 55.95 56.50 1zvs s SER 11 Cb 0.05 -1.54 0.15 0.00 0.10 0.00 0.00 66.02 64.78 1zvs s SER 11 CO -0.04 0.09 1.72 -0.09 0.98 0.00 0.00 173.24 175.90 1zvs h ARG 12 N 2.59 1.09 -6.51 4.02 2.43 -1.46 -3.44 114.38 113.10 1zvs h ARG 12 Ca -0.47 -0.27 -0.64 0.00 -0.81 0.00 0.00 59.98 57.78 1zvs h ARG 12 Cb 1.19 -0.14 -0.17 0.00 -0.42 0.00 0.00 29.97 30.43 1zvs h ARG 12 CO 0.65 0.98 -0.81 -1.01 -1.51 0.00 0.00 179.97 178.28 1zvs s HIS 13 N -5.25 2.31 0.20 2.20 3.76 -1.26 -5.04 115.29 112.21 1zvs s HIS 13 Ca -0.12 -0.35 -0.32 0.00 -0.15 0.00 0.00 55.06 54.12 1zvs s HIS 13 Cb 0.15 -1.11 -0.15 0.00 1.11 0.00 0.00 32.58 32.58 1zvs s HIS 13 CO 0.84 0.55 1.25 -2.30 -0.85 0.00 0.00 174.74 174.24 1zvs n PRO 14 N 0.05 1.48 -1.84 8.40 -0.02 -1.26 -4.83 135.00 136.97 1zvs n PRO 14 Ca -0.11 0.53 -0.42 0.00 -2.02 0.00 0.00 63.50 61.48 1zvs n PRO 14 Cb 0.57 -2.08 -0.02 0.00 -0.02 0.00 0.00 33.50 31.95 1zvs n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1zvs s ALA 15 N -0.15 3.73 -0.29 3.55 0.00 -1.26 -4.98 121.76 122.36 1zvs s ALA 15 Ca 0.71 1.50 -0.03 0.00 0.00 0.00 0.00 51.96 54.14 1zvs s ALA 15 Cb -0.78 -3.63 0.10 0.00 0.00 0.00 0.00 23.12 18.81 1zvs s ALA 15 CO 0.51 -0.90 0.12 -2.00 0.00 0.00 0.00 175.76 173.49 1zvs s GLU 16 N -0.22 0.34 0.00 0.00 2.12 -1.26 -5.02 118.70 114.66 1zvs s GLU 16 Ca 0.64 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 55.29 1zvs s GLU 16 Cb -0.46 -1.42 0.00 0.00 0.26 0.00 0.00 34.13 32.51 1zvs s GLU 16 CO 0.44 -1.00 0.00 0.09 -0.54 0.00 0.00 175.26 174.25 1zvs n ASN 17 N 5.13 0.00 0.00 -1.70 3.02 -1.26 -1.25 115.26 119.21 1zvs n ASN 17 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 1zvs n ASN 17 Cb 0.42 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 1zvs n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zvs n GLY 18 N -0.19 0.00 3.90 7.41 0.00 -1.23 -4.27 105.19 110.81 1zvs n GLY 18 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1zvs n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zvs s LYS 19 N -0.74 2.82 0.49 1.61 3.01 -0.38 -4.91 119.74 121.64 1zvs s LYS 19 Ca 0.00 0.21 -0.21 0.00 -1.01 0.00 0.00 55.97 54.96 1zvs s LYS 19 Cb 0.00 -2.13 -0.08 0.00 -1.01 0.00 0.00 37.83 34.61 1zvs s LYS 19 CO 0.00 -0.92 1.09 -1.12 0.51 0.00 0.00 175.35 174.90 1zvs s SER 20 N -4.35 6.17 0.00 2.83 0.01 -1.26 -4.20 113.70 112.90 1zvs s SER 20 Ca 0.57 2.08 0.00 0.00 1.31 0.00 0.00 55.95 59.90 1zvs s SER 20 Cb -0.11 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1zvs s SER 20 CO 0.48 -0.90 0.00 -3.20 0.41 0.00 0.00 173.24 170.03 1zvs n ASN 21 N -0.89 0.00 -3.71 2.44 2.85 0.16 -4.98 115.26 111.13 1zvs n ASN 21 Ca 0.09 -0.33 -0.18 0.00 -0.11 0.00 0.00 54.58 54.05 1zvs n ASN 21 Cb 0.51 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.36 1zvs n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1zvs s PHE 22 N -3.06 0.02 -0.33 1.20 0.08 -1.26 -2.32 117.98 112.32 1zvs s PHE 22 Ca 0.00 0.26 -0.19 0.00 0.12 0.00 0.00 56.93 57.12 1zvs s PHE 22 Cb 0.00 -0.36 -0.01 0.00 -0.57 0.00 0.00 43.02 42.08 1zvs s PHE 22 CO 0.00 -0.16 0.56 -1.17 -0.10 0.00 0.00 175.22 174.35 1zvs s LEU 23 N 1.78 4.23 -0.01 -0.37 2.96 0.24 -1.01 118.68 126.50 1zvs s LEU 23 Ca -0.00 0.20 0.02 0.00 -0.22 0.00 0.00 54.13 54.13 1zvs s LEU 23 Cb -0.12 -2.69 -0.03 0.00 0.50 0.00 0.00 46.19 43.85 1zvs s LEU 23 CO -0.03 -0.47 -0.06 0.20 -1.32 0.00 0.00 176.35 174.67 1zvs s ASN 24 N 1.71 4.71 -0.18 3.68 0.01 0.69 -1.28 114.94 124.28 1zvs s ASN 24 Ca 0.22 -0.10 0.00 0.00 -0.71 0.00 0.00 52.86 52.27 1zvs s ASN 24 Cb -0.15 -1.14 0.04 0.00 0.41 0.00 0.00 41.25 40.41 1zvs s ASN 24 CO 0.13 0.30 -0.08 0.00 -1.51 0.00 0.00 177.10 175.94 1zvs s TYR 26 N 1.52 3.33 -0.08 0.00 5.04 0.66 -1.16 117.35 126.66 1zvs s TYR 26 Ca -0.00 -1.50 -0.09 0.00 -2.44 0.00 0.00 57.07 53.03 1zvs s TYR 26 Cb -0.16 -3.46 -0.05 0.00 0.35 0.00 0.00 41.96 38.65 1zvs s TYR 26 CO -0.08 -0.95 0.22 0.14 -1.34 0.00 0.00 175.55 173.54 1zvs s VAL 27 N 1.49 5.36 0.16 3.14 -7.23 -0.98 -2.60 120.40 119.73 1zvs s VAL 27 Ca 0.04 0.40 -0.25 0.00 -1.81 0.00 0.00 61.98 60.37 1zvs s VAL 27 Cb -0.27 -3.50 0.06 0.00 0.56 0.00 0.00 36.38 33.24 1zvs s VAL 27 CO 0.02 0.60 0.87 -0.94 -0.31 0.00 0.00 175.10 175.35 1zvs s SER 28 N -1.01 -0.25 -1.01 4.85 1.04 -0.98 -1.65 113.70 114.68 1zvs s SER 28 Ca 0.18 -0.36 -0.01 0.00 0.48 0.00 0.00 55.95 56.23 1zvs s SER 28 Cb -0.13 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1zvs s SER 28 CO 0.07 -0.96 0.19 0.61 0.98 0.00 0.00 173.24 174.13 1zvs n GLY 29 N -0.43 -0.10 3.62 7.32 0.00 -0.58 -0.61 105.19 114.40 1zvs n GLY 29 Ca -0.07 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 1zvs n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1zvs s PHE 30 N -2.78 2.60 -0.28 1.61 -0.71 -1.16 -4.48 117.98 112.78 1zvs s PHE 30 Ca 0.09 -0.29 -0.21 0.00 -1.04 0.00 0.00 56.93 55.48 1zvs s PHE 30 Cb -0.04 -1.24 0.11 0.00 -1.21 0.00 0.00 43.02 40.63 1zvs s PHE 30 CO 0.11 0.59 0.87 -1.58 -1.34 0.00 0.00 175.22 173.87 1zvs s HIS 31 N -2.40 -0.71 0.96 3.49 2.46 -0.94 -1.65 115.29 116.50 1zvs s HIS 31 Ca 0.32 1.56 -0.16 0.00 0.47 0.00 0.00 55.06 57.25 1zvs s HIS 31 Cb -0.05 0.40 0.24 0.00 -0.13 0.00 0.00 32.58 33.05 1zvs s HIS 31 CO 0.19 -0.35 0.68 -0.35 -2.47 0.00 0.00 174.74 172.45 1zvs n PRO 32 N 3.18 -3.34 0.00 2.88 -0.04 -1.26 -1.55 135.00 134.87 1zvs n PRO 32 Ca -0.16 -1.12 0.13 0.00 -0.04 0.00 0.00 63.50 62.32 1zvs n PRO 32 Cb 0.57 -1.25 0.49 0.00 -0.04 0.00 0.00 33.50 33.27 1zvs n PRO 32 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1zvs n SER 33 N -4.68 0.46 -4.66 3.54 3.41 -1.26 -4.84 113.62 105.59 1zvs n SER 33 Ca 0.10 -0.33 -0.42 0.00 -0.26 0.00 0.00 58.87 57.96 1zvs n SER 33 Cb 0.42 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.29 1zvs n SER 33 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1zvs s ASP 34 N -2.71 6.53 -0.18 4.04 1.01 -1.26 -4.95 116.67 119.16 1zvs s ASP 34 Ca 0.21 2.50 -0.27 0.00 0.71 0.00 0.00 52.55 55.70 1zvs s ASP 34 Cb 0.19 -2.53 0.07 0.00 1.01 0.00 0.00 42.92 41.66 1zvs s ASP 34 CO 0.55 -1.00 0.69 -0.51 0.21 0.00 0.00 175.17 175.11 1zvs s ILE 35 N 4.25 0.00 -0.14 0.77 2.07 -1.26 -4.68 121.20 122.20 1zvs s ILE 35 Ca 0.82 -0.01 0.02 0.00 -1.41 0.00 0.00 60.65 60.07 1zvs s ILE 35 Cb -0.39 -0.98 0.00 0.00 0.13 0.00 0.00 42.46 41.22 1zvs s ILE 35 CO 0.37 -0.00 -0.19 -0.70 -1.91 0.00 0.00 174.94 172.51 1zvs s GLU 36 N -0.27 3.12 -0.08 3.50 2.12 -1.06 -5.03 118.70 121.00 1zvs s GLU 36 Ca -0.05 -0.80 0.02 0.00 0.36 0.00 0.00 54.97 54.50 1zvs s GLU 36 Cb -0.03 -2.51 0.02 0.00 0.26 0.00 0.00 34.13 31.86 1zvs s GLU 36 CO 0.05 0.03 -0.12 0.08 -0.54 0.00 0.00 175.26 174.75 1zvs s VAL 37 N 0.75 1.18 0.31 3.70 1.01 -1.26 -1.29 120.40 124.80 1zvs s VAL 37 Ca -0.08 -0.47 0.10 0.00 0.00 0.00 0.00 61.98 61.53 1zvs s VAL 37 Cb -0.16 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 1zvs s VAL 37 CO 0.00 0.37 -0.05 -1.81 0.00 0.00 0.00 175.10 173.62 1zvs s ASP 38 N 0.90 4.08 -0.15 3.32 1.01 0.24 -4.97 116.67 121.11 1zvs s ASP 38 Ca -0.10 -0.95 -0.00 0.00 0.71 0.00 0.00 52.55 52.21 1zvs s ASP 38 Cb -0.15 -0.52 0.03 0.00 1.01 0.00 0.00 42.92 43.28 1zvs s ASP 38 CO 0.01 -0.13 -0.10 -0.76 0.21 0.00 0.00 175.17 174.40 1zvs s LEU 39 N -3.65 1.60 0.00 1.23 1.02 -1.26 -1.22 118.68 116.40 1zvs s LEU 39 Ca 0.33 -0.53 0.00 0.00 0.02 0.00 0.00 54.13 53.95 1zvs s LEU 39 Cb -0.02 -1.02 -0.04 0.00 0.02 0.00 0.00 46.19 45.13 1zvs s LEU 39 CO 0.18 -0.12 0.08 -0.76 0.02 0.00 0.00 176.35 175.75 1zvs s LEU 40 N 1.57 3.86 -0.32 1.79 1.43 0.41 -0.21 118.68 127.22 1zvs s LEU 40 Ca 0.03 0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.28 1zvs s LEU 40 Cb -0.14 -2.28 0.09 0.00 0.03 0.00 0.00 46.19 43.89 1zvs s LEU 40 CO -0.09 0.26 0.01 -0.75 0.23 0.00 0.00 176.35 176.02 1zvs s LYS 41 N -1.79 1.75 0.00 1.70 2.20 -0.63 -1.34 119.74 121.64 1zvs s LYS 41 Ca 0.23 -1.71 0.00 0.00 -0.36 0.00 0.00 55.97 54.13 1zvs s LYS 41 Cb -0.12 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1zvs s LYS 41 CO 0.14 -0.83 0.00 0.09 -0.36 0.00 0.00 175.35 174.39 1zvs n ASN 42 N 4.33 0.00 0.00 1.43 3.02 0.11 -2.34 115.26 121.81 1zvs n ASN 42 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1zvs n ASN 42 Cb 0.42 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 1zvs n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zvs n GLY 43 N -1.56 2.06 3.74 7.41 0.00 -1.26 -4.99 105.19 110.58 1zvs n GLY 43 Ca 0.00 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1zvs n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1zvs s GLU 44 N 0.00 4.72 -0.36 1.61 2.02 -0.99 -4.93 118.70 120.78 1zvs s GLU 44 Ca 0.00 1.55 -0.28 0.00 0.02 0.00 0.00 54.97 56.26 1zvs s GLU 44 Cb 0.00 -3.31 -0.03 0.00 0.10 0.00 0.00 34.13 30.89 1zvs s GLU 44 CO 0.00 0.28 1.98 -0.98 0.02 0.00 0.00 175.26 176.56 1zvs s ARG 45 N -0.55 3.04 0.82 1.61 1.70 -1.26 -1.60 118.95 122.71 1zvs s ARG 45 Ca 0.45 1.46 -0.15 0.00 -0.47 0.00 0.00 55.73 57.03 1zvs s ARG 45 Cb -0.26 -4.31 -0.01 0.00 -0.57 0.00 0.00 34.95 29.80 1zvs s ARG 45 CO 0.32 -2.20 0.48 -0.89 -1.08 0.00 0.00 175.30 171.93 1zvs n ILE 46 N 7.54 1.09 -0.02 4.99 5.41 0.70 -4.97 119.36 134.09 1zvs n ILE 46 Ca 0.26 -0.32 -0.02 0.00 1.00 0.00 0.00 62.75 63.67 1zvs n ILE 46 Cb 0.48 -0.69 -0.01 0.00 -0.71 0.00 0.00 39.64 38.71 1zvs n ILE 46 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1zvs n GLU 47 N -1.11 0.11 0.00 0.38 1.02 -1.26 -4.59 120.64 115.19 1zvs n GLU 47 Ca 0.09 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1zvs n GLU 47 Cb 0.51 -0.68 0.00 0.00 -0.02 0.00 0.00 31.44 31.25 1zvs n GLU 47 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1zvs n LYS 48 N -2.92 0.00 -1.58 3.49 5.02 -1.26 -4.80 118.16 116.11 1zvs n LYS 48 Ca -0.03 0.00 -0.58 0.00 -2.02 0.00 0.00 58.31 55.68 1zvs n LYS 48 Cb 0.11 -1.36 -0.08 0.00 -0.02 0.00 0.00 35.03 33.68 1zvs n LYS 48 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1zvs n VAL 49 N -0.68 0.03 -3.44 -0.18 0.31 -1.26 -4.97 118.33 108.13 1zvs n VAL 49 Ca 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1zvs n VAL 49 Cb 0.00 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 1zvs n VAL 49 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1zvs n GLU 50 N 2.49 2.09 -3.52 5.55 1.02 -1.01 -5.00 120.64 122.25 1zvs n GLU 50 Ca 0.22 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.28 1zvs n GLU 50 Cb 0.10 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.50 1zvs n GLU 50 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1zvs s HIS 51 N 0.04 -0.31 0.52 -0.32 -3.43 -1.26 -2.99 115.29 107.54 1zvs s HIS 51 Ca 0.00 0.21 -0.14 0.00 -0.80 0.00 0.00 55.06 54.33 1zvs s HIS 51 Cb 0.00 0.53 -0.07 0.00 -1.43 0.00 0.00 32.58 31.61 1zvs s HIS 51 CO 0.00 -0.47 0.95 -1.54 -2.00 0.00 0.00 174.74 171.68 1zvs s SER 52 N -2.36 6.50 0.12 7.38 1.04 0.54 -4.95 113.70 121.98 1zvs s SER 52 Ca 0.05 1.43 -0.31 0.00 0.48 0.00 0.00 55.95 57.61 1zvs s SER 52 Cb -0.01 -2.45 -0.07 0.00 0.10 0.00 0.00 66.02 63.58 1zvs s SER 52 CO -0.08 -0.61 1.27 1.51 0.98 0.00 0.00 173.24 176.31 1zvs s ASP 53 N -3.37 6.98 0.10 7.02 3.84 -1.26 -4.57 116.67 125.41 1zvs s ASP 53 Ca 0.56 2.20 -0.31 0.00 -0.00 0.00 0.00 52.55 55.00 1zvs s ASP 53 Cb -0.10 -2.59 -0.17 0.00 -1.38 0.00 0.00 42.92 38.68 1zvs s ASP 53 CO 0.37 -0.52 0.72 -0.11 -0.00 0.00 0.00 175.17 175.63 1zvs n LEU 54 N 3.49 -0.63 -3.88 2.11 7.94 -1.26 -4.98 117.00 119.79 1zvs n LEU 54 Ca 0.08 1.06 -0.07 0.00 -1.11 0.00 0.00 56.01 55.97 1zvs n LEU 54 Cb 0.44 -0.87 -0.02 0.00 0.53 0.00 0.00 43.42 43.50 1zvs n LEU 54 CO 0.57 -2.31 0.43 -0.55 -1.11 0.00 0.00 177.39 174.42 1zvs s SER 55 N -0.50 -0.24 0.08 1.96 0.15 -1.25 -5.05 113.70 108.85 1zvs s SER 55 Ca 0.71 -0.66 -0.09 0.00 0.70 0.00 0.00 55.95 56.61 1zvs s SER 55 Cb -1.01 0.71 -0.00 0.00 -1.71 0.00 0.00 66.02 64.02 1zvs s SER 55 CO 0.52 -1.33 0.19 0.72 1.20 0.00 0.00 173.24 174.55 1zvs s PHE 56 N -3.92 0.13 0.70 3.44 -0.71 -1.26 -1.07 117.98 115.29 1zvs s PHE 56 Ca 0.12 -0.51 -0.03 0.00 -1.04 0.00 0.00 56.93 55.48 1zvs s PHE 56 Cb -0.05 -0.05 0.10 0.00 -1.21 0.00 0.00 43.02 41.81 1zvs s PHE 56 CO 0.07 -0.52 0.98 -1.54 -1.34 0.00 0.00 175.22 172.88 1zvs s SER 57 N -2.69 4.52 0.63 1.98 1.04 0.27 -4.91 113.70 114.54 1zvs s SER 57 Ca 0.03 -0.06 0.24 0.00 0.48 0.00 0.00 55.95 56.65 1zvs s SER 57 Cb 0.04 -0.46 1.22 0.00 0.10 0.00 0.00 66.02 66.92 1zvs s SER 57 CO -0.09 -1.74 1.67 0.07 0.98 0.00 0.00 173.24 174.13 1zvs h LYS 58 N -0.53 0.00 -0.65 4.02 -0.00 -2.02 0.86 116.57 118.26 1zvs h LYS 58 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.25 1zvs h LYS 58 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.51 1zvs h LYS 58 CO 0.47 0.00 0.00 -0.40 -0.00 0.00 0.00 179.45 179.52 1zvs n ASP 59 N -3.17 4.99 -0.19 7.07 5.68 -1.26 -4.91 116.55 124.76 1zvs n ASP 59 Ca 0.06 -2.53 -0.03 0.00 -0.50 0.00 0.00 54.79 51.79 1zvs n ASP 59 Cb 0.76 -0.61 -0.01 0.00 -1.14 0.00 0.00 41.12 40.12 1zvs n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1zvs n TRP 60 N 1.07 0.00 -3.17 2.11 7.02 0.30 -5.03 117.44 119.74 1zvs n TRP 60 Ca 0.27 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.36 1zvs n TRP 60 Cb 0.96 -0.82 -0.06 0.00 -2.42 0.00 0.00 31.31 28.97 1zvs n TRP 60 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1zvs s SER 61 N -2.75 7.14 0.31 -0.99 0.01 -1.25 -4.86 113.70 111.31 1zvs s SER 61 Ca 0.00 1.39 -0.08 0.00 1.31 0.00 0.00 55.95 58.57 1zvs s SER 61 Cb 0.00 -2.40 -0.06 0.00 0.21 0.00 0.00 66.02 63.76 1zvs s SER 61 CO 0.00 0.20 0.62 -0.36 0.41 0.00 0.00 173.24 174.11 1zvs s PHE 62 N -1.23 3.46 -0.14 2.43 0.40 -0.66 -0.56 117.98 121.68 1zvs s PHE 62 Ca 0.34 0.83 -0.08 0.00 -0.60 0.00 0.00 56.93 57.42 1zvs s PHE 62 Cb -0.20 -2.25 0.05 0.00 0.51 0.00 0.00 43.02 41.13 1zvs s PHE 62 CO 0.21 0.11 0.35 1.52 0.70 0.00 0.00 175.22 178.11 1zvs s TYR 63 N -2.10 -0.49 0.17 0.36 -0.85 -0.23 -1.53 117.35 112.67 1zvs s TYR 63 Ca 0.47 1.08 0.08 0.00 -0.52 0.00 0.00 57.07 58.18 1zvs s TYR 63 Cb -0.11 0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.37 1zvs s TYR 63 CO 0.28 -0.29 -0.17 -0.51 -1.52 0.00 0.00 175.55 173.33 1zvs s LEU 64 N 1.25 2.46 -0.09 -3.49 1.43 -0.66 -3.80 118.68 115.78 1zvs s LEU 64 Ca -0.09 -0.89 0.04 0.00 -1.03 0.00 0.00 54.13 52.16 1zvs s LEU 64 Cb -0.09 -0.79 -0.00 0.00 0.03 0.00 0.00 46.19 45.34 1zvs s LEU 64 CO -0.10 -0.06 -0.23 -0.22 0.23 0.00 0.00 176.35 175.96 1zvs s LEU 65 N -2.78 2.06 -0.33 1.79 2.96 -1.26 -2.31 118.68 118.81 1zvs s LEU 65 Ca 0.17 -0.54 -0.02 0.00 -0.22 0.00 0.00 54.13 53.52 1zvs s LEU 65 Cb -0.05 -1.37 0.06 0.00 0.50 0.00 0.00 46.19 45.33 1zvs s LEU 65 CO 0.07 0.16 0.05 -0.31 -1.32 0.00 0.00 176.35 175.00 1zvs s TYR 66 N 0.32 3.35 -0.07 5.38 1.51 -0.30 -0.34 117.35 127.20 1zvs s TYR 66 Ca -0.18 -2.00 0.03 0.00 -1.01 0.00 0.00 57.07 53.91 1zvs s TYR 66 Cb -0.18 -2.40 -0.02 0.00 -0.11 0.00 0.00 41.96 39.26 1zvs s TYR 66 CO 0.08 -0.84 -0.14 1.52 -1.11 0.00 0.00 175.55 175.06 1zvs s TYR 67 N 1.23 2.73 -0.01 2.71 1.13 -1.16 -0.86 117.35 123.11 1zvs s TYR 67 Ca -0.01 -0.30 0.01 0.00 -1.41 0.00 0.00 57.07 55.35 1zvs s TYR 67 Cb -0.20 -1.69 0.00 0.00 -1.10 0.00 0.00 41.96 38.97 1zvs s TYR 67 CO -0.02 0.07 -0.03 -0.08 -2.51 0.00 0.00 175.55 172.98 1zvs s THR 68 N -0.42 0.28 -0.03 -3.49 -1.32 -0.40 -2.39 115.64 107.87 1zvs s THR 68 Ca 0.05 -0.11 -0.30 0.00 -1.21 0.00 0.00 61.69 60.12 1zvs s THR 68 Cb -0.12 -0.27 -0.06 0.00 -1.51 0.00 0.00 72.50 70.54 1zvs s THR 68 CO 0.02 0.10 1.55 -0.70 -2.21 0.00 0.00 174.62 173.38 1zvs s GLU 69 N 0.16 4.22 0.29 7.08 2.12 -1.26 -0.59 118.70 130.72 1zvs s GLU 69 Ca -0.01 2.11 -0.08 0.00 0.36 0.00 0.00 54.97 57.35 1zvs s GLU 69 Cb -0.04 -3.78 0.00 0.00 0.26 0.00 0.00 34.13 30.57 1zvs s GLU 69 CO -0.00 -0.74 0.47 -0.59 -0.54 0.00 0.00 175.26 173.86 1zvs s PHE 70 N 3.27 0.70 -0.18 5.30 -0.71 -0.98 -4.91 117.98 120.48 1zvs s PHE 70 Ca 0.69 -1.02 -0.05 0.00 -1.04 0.00 0.00 56.93 55.52 1zvs s PHE 70 Cb -0.33 0.07 0.07 0.00 -1.21 0.00 0.00 43.02 41.61 1zvs s PHE 70 CO 0.28 -1.07 0.11 0.99 -1.34 0.00 0.00 175.22 174.19 1zvs s THR 71 N -3.50 -0.12 0.54 -4.49 2.01 -1.26 0.36 115.64 109.18 1zvs s THR 71 Ca 0.27 -0.17 -0.21 0.00 0.31 0.00 0.00 61.69 61.89 1zvs s THR 71 Cb -0.00 -0.59 -0.05 0.00 0.01 0.00 0.00 72.50 71.86 1zvs s THR 71 CO 0.14 -0.28 1.28 -2.16 -0.69 0.00 0.00 174.62 172.91 1zvs s PRO 72 N 2.16 3.20 0.13 4.92 0.04 -1.26 -4.98 135.00 139.20 1zvs s PRO 72 Ca 0.03 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.13 1zvs s PRO 72 Cb -0.16 -2.19 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 1zvs s PRO 72 CO -0.10 -1.08 0.10 0.25 0.04 0.00 0.00 177.00 176.20 1zvs n THR 73 N -1.09 0.00 -0.06 1.26 -2.24 -1.26 -3.52 114.28 107.37 1zvs n THR 73 Ca 0.11 -0.89 -0.20 0.00 -2.27 0.00 0.00 64.05 60.80 1zvs n THR 73 Cb 0.47 0.43 -0.13 0.00 -2.10 0.00 0.00 70.33 69.00 1zvs n THR 73 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1zvs h GLU 74 N 0.00 0.08 -0.01 -0.78 4.57 -1.97 -3.40 114.58 113.07 1zvs h GLU 74 Ca -0.09 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 57.94 1zvs h GLU 74 Cb 0.44 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1zvs h GLU 74 CO 0.13 1.07 -0.05 1.57 -1.18 0.00 0.00 179.01 180.55 1zvs h LYS 75 N -0.77 0.06 -6.99 1.92 2.10 -1.99 -3.46 116.57 107.43 1zvs h LYS 75 Ca -0.25 -0.04 -0.56 0.00 -2.00 0.00 0.00 60.65 57.80 1zvs h LYS 75 Cb 1.38 0.01 0.15 0.00 -0.90 0.00 0.00 32.23 32.87 1zvs h LYS 75 CO -0.07 0.67 0.46 -0.25 -2.00 0.00 0.00 179.45 178.26 1zvs n ASP 76 N -4.73 2.05 -4.31 7.07 8.00 -1.26 -5.06 116.55 118.31 1zvs n ASP 76 Ca -0.09 0.90 -0.21 0.00 0.71 0.00 0.00 54.79 56.11 1zvs n ASP 76 Cb 0.34 -1.52 -0.11 0.00 -0.02 0.00 0.00 41.12 39.81 1zvs n ASP 76 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1zvs s GLU 77 N -2.95 1.23 0.07 -1.24 2.02 -1.26 -4.66 118.70 111.90 1zvs s GLU 77 Ca 0.75 -1.39 0.01 0.00 0.02 0.00 0.00 54.97 54.37 1zvs s GLU 77 Cb -0.41 -1.22 -0.04 0.00 0.10 0.00 0.00 34.13 32.56 1zvs s GLU 77 CO 0.47 0.24 -0.06 0.71 0.02 0.00 0.00 175.26 176.64 1zvs s TYR 78 N -2.15 0.74 0.23 1.61 2.02 -1.26 -0.71 117.35 117.83 1zvs s TYR 78 Ca 0.15 -0.81 -0.18 0.00 -0.37 0.00 0.00 57.07 55.86 1zvs s TYR 78 Cb -0.05 -0.45 0.02 0.00 -0.40 0.00 0.00 41.96 41.08 1zvs s TYR 78 CO 0.06 -0.17 0.58 0.00 -1.57 0.00 0.00 175.55 174.45 1zvs s ALA 79 N -2.95 -0.92 -0.13 3.71 0.00 -0.45 -0.58 121.76 120.44 1zvs s ALA 79 Ca 0.04 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.67 1zvs s ALA 79 Cb 0.01 0.90 0.00 0.00 0.00 0.00 0.00 23.12 24.03 1zvs s ALA 79 CO -0.04 -0.89 -0.21 0.00 0.00 0.00 0.00 175.76 174.62 1zvs s ARG 81 N 0.62 3.04 0.05 0.00 3.52 -0.36 -1.10 118.95 124.72 1zvs s ARG 81 Ca -0.11 -0.84 0.08 0.00 -0.13 0.00 0.00 55.73 54.74 1zvs s ARG 81 Cb -0.16 -2.93 -0.03 0.00 -1.56 0.00 0.00 34.95 30.27 1zvs s ARG 81 CO 0.03 -0.30 -0.22 0.08 -0.81 0.00 0.00 175.30 174.07 1zvs s VAL 82 N 1.37 2.47 -0.01 7.11 1.01 -0.12 0.83 120.40 133.06 1zvs s VAL 82 Ca 0.03 -1.33 0.01 0.00 0.00 0.00 0.00 61.98 60.69 1zvs s VAL 82 Cb -0.15 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.23 1zvs s VAL 82 CO -0.05 0.33 -0.01 0.21 0.00 0.00 0.00 175.10 175.57 1zvs s ASN 83 N -1.41 0.32 0.07 3.32 3.04 -0.41 -0.77 114.94 119.09 1zvs s ASN 83 Ca 0.13 -0.03 -0.12 0.00 0.04 0.00 0.00 52.86 52.89 1zvs s ASN 83 Cb -0.10 -0.10 0.01 0.00 -1.54 0.00 0.00 41.25 39.52 1zvs s ASN 83 CO 0.04 -0.03 0.26 -2.28 -3.04 0.00 0.00 177.10 172.05 1zvs s HIS 84 N 0.41 -0.01 -0.06 0.43 2.46 -1.26 -2.56 115.29 114.70 1zvs s HIS 84 Ca -0.04 -0.27 0.22 0.00 0.47 0.00 0.00 55.06 55.45 1zvs s HIS 84 Cb -0.06 0.04 1.22 0.00 -0.13 0.00 0.00 32.58 33.65 1zvs s HIS 84 CO -0.01 -0.53 1.67 -0.24 -2.47 0.00 0.00 174.74 173.16 1zvs h VAL 85 N 2.98 0.00 -0.07 0.89 3.04 -1.97 0.30 116.25 121.42 1zvs h VAL 85 Ca -0.33 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 1zvs h VAL 85 Cb 1.21 0.50 0.00 0.00 -2.01 0.00 0.00 31.29 30.99 1zvs h VAL 85 CO 0.50 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.41 1zvs n THR 86 N -2.31 0.07 -3.96 3.17 -2.24 -1.26 -4.78 114.28 102.96 1zvs n THR 86 Ca -0.01 -0.37 -0.34 0.00 -2.27 0.00 0.00 64.05 61.05 1zvs n THR 86 Cb 0.09 0.80 -0.14 0.00 -2.10 0.00 0.00 70.33 68.99 1zvs n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1zvs s LEU 87 N -1.90 3.85 0.00 3.22 1.43 0.10 -4.97 118.68 120.41 1zvs s LEU 87 Ca 0.34 -1.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.05 1zvs s LEU 87 Cb 0.20 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.77 1zvs s LEU 87 CO 0.31 -0.25 0.62 -1.54 0.23 0.00 0.00 176.35 175.72 1zvs n SER 88 N 4.54 0.00 -3.61 2.29 3.41 -1.26 -4.57 113.62 114.41 1zvs n SER 88 Ca -0.12 0.17 -0.05 0.00 -0.26 0.00 0.00 58.87 58.61 1zvs n SER 88 Cb 0.43 -0.17 -0.04 0.00 -0.26 0.00 0.00 64.21 64.17 1zvs n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1zvs s GLN 89 N -2.24 0.29 0.17 4.33 -2.07 -1.26 -5.14 119.66 113.74 1zvs s GLN 89 Ca 0.00 0.00 -0.33 0.00 -1.82 0.00 0.00 55.36 53.21 1zvs s GLN 89 Cb 0.00 0.13 -0.16 0.00 -1.09 0.00 0.00 33.01 31.90 1zvs s GLN 89 CO 0.00 -0.10 1.12 -2.30 -1.32 0.00 0.00 175.29 172.69 1zvs n PRO 90 N 0.36 1.06 -4.06 9.60 -0.02 -1.26 -4.91 135.00 135.76 1zvs n PRO 90 Ca -0.03 0.38 -0.36 0.00 -2.02 0.00 0.00 63.50 61.47 1zvs n PRO 90 Cb 0.58 -1.85 -0.08 0.00 -0.02 0.00 0.00 33.50 32.14 1zvs n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1zvs s LYS 91 N -0.43 3.40 -0.15 -0.52 2.20 0.05 -4.93 119.74 119.35 1zvs s LYS 91 Ca 0.73 -0.26 0.00 0.00 -0.36 0.00 0.00 55.97 56.08 1zvs s LYS 91 Cb -0.87 -3.07 0.02 0.00 -1.51 0.00 0.00 37.83 32.40 1zvs s LYS 91 CO 0.53 0.65 -0.15 0.42 -0.36 0.00 0.00 175.35 176.44 1zvs s ILE 92 N -0.70 1.65 -0.17 5.43 1.01 -1.26 -0.94 121.20 126.22 1zvs s ILE 92 Ca 0.12 -0.68 -0.03 0.00 0.00 0.00 0.00 60.65 60.06 1zvs s ILE 92 Cb -0.12 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.80 1zvs s ILE 92 CO 0.03 0.47 -0.06 0.68 0.00 0.00 0.00 174.94 176.06 1zvs s VAL 93 N 1.46 3.54 0.14 2.92 -7.23 -0.26 -4.95 120.40 116.01 1zvs s VAL 93 Ca 0.05 -0.47 -0.06 0.00 -1.81 0.00 0.00 61.98 59.69 1zvs s VAL 93 Cb -0.13 -2.55 -0.06 0.00 0.56 0.00 0.00 36.38 34.20 1zvs s VAL 93 CO -0.11 0.48 0.39 -1.59 -0.31 0.00 0.00 175.10 173.96 1zvs s LYS 94 N 0.68 3.65 0.29 4.82 -2.85 -1.26 0.16 119.74 125.22 1zvs s LYS 94 Ca -0.03 -0.03 -0.29 0.00 -1.00 0.00 0.00 55.97 54.61 1zvs s LYS 94 Cb -0.15 -2.85 -0.11 0.00 -2.06 0.00 0.00 37.83 32.67 1zvs s LYS 94 CO 0.02 0.47 1.47 -0.46 0.10 0.00 0.00 175.35 176.95 1zvs s TRP 95 N -1.64 2.89 -0.30 1.78 -0.00 0.25 -4.93 118.94 116.98 1zvs s TRP 95 Ca 0.40 1.04 -0.01 0.00 -0.00 0.00 0.00 56.10 57.54 1zvs s TRP 95 Cb -0.12 -3.89 0.10 0.00 -0.00 0.00 0.00 33.47 29.55 1zvs s TRP 95 CO 0.23 -2.83 0.09 0.34 -0.00 0.00 0.00 176.95 174.78 1zvs s ASP 96 N 0.19 3.96 0.64 5.86 -1.08 -1.26 -4.80 116.67 120.17 1zvs s ASP 96 Ca 0.58 -1.58 0.01 0.00 -0.52 0.00 0.00 52.55 51.04 1zvs s ASP 96 Cb -0.44 -0.84 0.03 0.00 -1.46 0.00 0.00 42.92 40.21 1zvs s ASP 96 CO 0.49 -0.41 0.98 -2.11 0.52 0.00 0.00 175.17 174.64 1zvs n ARG 97 N 4.87 0.03 -0.88 4.34 1.85 -1.26 0.15 116.66 125.76 1zvs n ARG 97 Ca -0.03 0.92 0.02 0.00 -1.00 0.00 0.00 57.85 57.77 1zvs n ARG 97 Cb 0.42 -2.48 0.34 0.00 -1.05 0.00 0.00 32.46 29.69 1zvs n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1zvs n ASP 98 N -2.46 5.07 0.00 2.89 8.00 -1.26 -4.82 116.55 123.97 1zvs n ASP 98 Ca 0.01 -3.08 0.00 0.00 0.71 0.00 0.00 54.79 52.43 1zvs n ASP 98 Cb 0.98 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 1zvs n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04