#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wvo n SER 2 N 0.00 0.11 -4.43 1.61 2.88 -1.26 -4.97 113.62 107.56 1wvo n SER 2 Ca 0.00 0.10 -0.44 0.00 -1.33 0.00 0.00 58.87 57.20 1wvo n SER 2 Cb 0.00 0.03 -0.03 0.00 -0.75 0.00 0.00 64.21 63.46 1wvo n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wvo s SER 3 N -4.72 6.48 0.00 -3.46 1.04 -1.26 -4.78 113.70 107.01 1wvo s SER 3 Ca 0.00 -1.79 0.00 0.00 0.48 0.00 0.00 55.95 54.64 1wvo s SER 3 Cb 0.00 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.74 1wvo s SER 3 CO 0.00 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.72 1wvo n GLY 4 N 5.32 4.21 2.64 7.32 0.00 -1.26 -5.10 105.19 118.32 1wvo n GLY 4 Ca 0.13 -1.09 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 1wvo n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wvo n SER 5 N 0.00 -2.54 -4.55 1.61 3.41 -1.26 -4.71 113.62 105.58 1wvo n SER 5 Ca 0.00 -2.77 -0.42 0.00 -0.26 0.00 0.00 58.87 55.42 1wvo n SER 5 Cb 0.00 1.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.99 1wvo n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wvo s SER 6 N 0.50 6.30 0.33 4.04 0.15 -1.26 -4.90 113.70 118.86 1wvo s SER 6 Ca 0.31 -0.26 -0.18 0.00 0.70 0.00 0.00 55.95 56.52 1wvo s SER 6 Cb 0.02 -2.53 0.06 0.00 -1.71 0.00 0.00 66.02 61.86 1wvo s SER 6 CO -0.10 -1.59 0.83 -0.83 1.20 0.00 0.00 173.24 172.76 1wvo s GLY 7 N 3.31 0.25 -0.06 9.45 0.00 -1.26 -0.58 107.32 118.43 1wvo s GLY 7 Ca 0.36 -0.60 0.05 0.00 0.00 0.00 0.00 44.72 44.53 1wvo s GLY 7 CO 0.19 0.22 -0.22 -1.35 0.00 0.00 0.00 173.10 171.95 1wvo s SER 8 N -3.11 2.69 0.12 1.64 1.04 -0.39 -3.90 113.70 111.78 1wvo s SER 8 Ca 0.16 -0.45 -0.31 0.00 0.48 0.00 0.00 55.95 55.83 1wvo s SER 8 Cb -0.05 -0.83 -0.08 0.00 0.10 0.00 0.00 66.02 65.16 1wvo s SER 8 CO 0.10 0.19 1.45 -0.69 0.98 0.00 0.00 173.24 175.27 1wvo s VAL 9 N 0.02 3.14 0.07 5.02 1.01 -0.96 -0.19 120.40 128.51 1wvo s VAL 9 Ca -0.06 0.80 0.04 0.00 0.00 0.00 0.00 61.98 62.75 1wvo s VAL 9 Cb -0.14 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1wvo s VAL 9 CO 0.04 0.05 -0.11 0.68 0.00 0.00 0.00 175.10 175.76 1wvo s VAL 10 N 1.28 0.90 0.07 2.92 -7.23 -0.14 -2.01 120.40 116.19 1wvo s VAL 10 Ca 0.66 -1.33 -0.31 0.00 -1.81 0.00 0.00 61.98 59.20 1wvo s VAL 10 Cb -0.38 -1.01 -0.07 0.00 0.56 0.00 0.00 36.38 35.48 1wvo s VAL 10 CO 0.30 -0.36 1.37 0.00 -0.31 0.00 0.00 175.10 176.10 1wvo s ALA 11 N -1.62 3.56 0.21 1.32 0.00 -0.70 -2.23 121.76 122.30 1wvo s ALA 11 Ca -0.02 1.01 0.14 0.00 0.00 0.00 0.00 51.96 53.08 1wvo s ALA 11 Cb -0.08 -3.54 0.47 0.00 0.00 0.00 0.00 23.12 19.96 1wvo s ALA 11 CO 0.01 -0.69 1.65 -0.22 0.00 0.00 0.00 175.76 176.51 1wvo h LYS 12 N 7.15 0.00 -4.71 0.00 3.64 -1.04 0.25 116.57 121.87 1wvo h LYS 12 Ca -0.41 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 58.69 1wvo h LYS 12 Cb 1.20 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.87 1wvo h LYS 12 CO 0.87 0.52 -0.62 0.14 -2.27 0.00 0.00 179.45 178.09 1wvo s VAL 13 N -3.56 0.23 -0.25 2.00 -7.23 -1.25 -4.57 120.40 105.77 1wvo s VAL 13 Ca -0.00 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.88 1wvo s VAL 13 Cb 0.12 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 34.49 1wvo s VAL 13 CO 0.73 -0.01 1.50 -0.75 -0.31 0.00 0.00 175.10 176.26 1wvo s LYS 14 N -4.11 3.84 -0.45 4.82 2.20 -1.26 -3.97 119.74 120.81 1wvo s LYS 14 Ca 0.38 1.51 -0.15 0.00 -0.36 0.00 0.00 55.97 57.35 1wvo s LYS 14 Cb 0.07 -3.98 0.06 0.00 -1.51 0.00 0.00 37.83 32.47 1wvo s LYS 14 CO 0.12 -1.24 0.36 0.42 -0.36 0.00 0.00 175.35 174.66 1wvo s ILE 15 N 4.91 5.21 0.55 5.43 1.01 0.72 -4.94 121.20 134.09 1wvo s ILE 15 Ca 0.66 -0.94 -0.20 0.00 0.00 0.00 0.00 60.65 60.17 1wvo s ILE 15 Cb -0.22 -4.05 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 1wvo s ILE 15 CO 0.27 -0.49 1.20 -2.16 0.00 0.00 0.00 174.94 173.76 1wvo s PRO 16 N 1.65 3.25 0.34 2.79 0.04 -1.26 -1.37 135.00 140.44 1wvo s PRO 16 Ca 0.04 1.83 -0.26 0.00 0.04 0.00 0.00 61.00 62.65 1wvo s PRO 16 Cb -0.23 -2.10 -0.13 0.00 0.04 0.00 0.00 34.50 32.09 1wvo s PRO 16 CO 0.08 -0.98 0.83 -1.91 0.04 0.00 0.00 177.00 175.06 1wvo n GLU 17 N -1.20 1.00 -0.98 4.56 2.13 -1.25 -2.14 120.64 122.76 1wvo n GLU 17 Ca 0.11 0.36 0.00 0.00 0.66 0.00 0.00 57.16 58.29 1wvo n GLU 17 Cb 0.49 -1.71 0.00 0.00 0.27 0.00 0.00 31.44 30.49 1wvo n GLU 17 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wvo n GLY 18 N 1.44 0.97 3.90 8.31 0.00 -0.37 -4.94 105.19 114.51 1wvo n GLY 18 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1wvo n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wvo s THR 19 N -3.87 4.99 0.18 2.61 2.01 -0.91 -4.83 115.64 115.82 1wvo s THR 19 Ca 0.00 0.13 -0.15 0.00 0.31 0.00 0.00 61.69 61.99 1wvo s THR 19 Cb 0.00 -3.74 -0.07 0.00 0.01 0.00 0.00 72.50 68.70 1wvo s THR 19 CO 0.00 -0.37 0.59 -0.63 -0.69 0.00 0.00 174.62 173.52 1wvo s ILE 20 N -2.14 4.81 0.18 1.82 -1.09 -1.26 -2.78 121.20 120.73 1wvo s ILE 20 Ca 0.45 0.86 -0.30 0.00 -2.23 0.00 0.00 60.65 59.44 1wvo s ILE 20 Cb -0.11 -3.73 -0.08 0.00 -1.58 0.00 0.00 42.46 36.97 1wvo s ILE 20 CO 0.30 0.16 0.93 -0.76 -1.23 0.00 0.00 174.94 174.35 1wvo s LEU 21 N -2.15 4.58 0.11 2.97 1.43 -0.55 -4.94 118.68 120.13 1wvo s LEU 21 Ca 0.41 1.86 0.05 0.00 -1.03 0.00 0.00 54.13 55.41 1wvo s LEU 21 Cb -0.14 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 1wvo s LEU 21 CO 0.20 0.07 -0.12 0.42 0.23 0.00 0.00 176.35 177.14 1wvo s THR 22 N -0.68 1.13 0.36 5.49 -4.23 -1.26 -1.76 115.64 114.69 1wvo s THR 22 Ca 0.43 -1.67 0.04 0.00 -1.18 0.00 0.00 61.69 59.30 1wvo s THR 22 Cb -0.25 -1.44 0.24 0.00 1.34 0.00 0.00 72.50 72.40 1wvo s THR 22 CO 0.31 -0.49 1.99 0.24 -0.54 0.00 0.00 174.62 176.13 1wvo h MET 23 N 3.55 0.71 0.00 3.99 2.86 -1.97 -2.18 114.93 121.88 1wvo h MET 23 Ca -0.39 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 1wvo h MET 23 Cb 1.19 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.70 1wvo h MET 23 CO 0.52 0.51 0.00 0.22 1.06 0.00 0.00 176.91 179.22 1wvo h ASP 24 N 0.72 0.00 -0.14 1.22 3.58 -2.02 -2.19 116.42 117.59 1wvo h ASP 24 Ca 0.19 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.64 1wvo h ASP 24 Cb -0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1wvo h ASP 24 CO -0.03 0.00 0.00 0.23 -2.88 0.00 0.00 179.24 176.56 1wvo n MET 25 N -2.95 2.40 -4.43 0.28 2.81 -0.83 -4.94 117.12 109.46 1wvo n MET 25 Ca -0.02 -2.36 -0.21 0.00 -1.81 0.00 0.00 57.70 53.30 1wvo n MET 25 Cb 0.09 -1.47 -0.10 0.00 -0.71 0.00 0.00 33.22 31.03 1wvo n MET 25 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1wvo s LEU 26 N -2.17 2.07 0.07 4.03 1.43 -0.83 -0.50 118.68 122.78 1wvo s LEU 26 Ca 0.27 -1.40 -0.27 0.00 -1.03 0.00 0.00 54.13 51.71 1wvo s LEU 26 Cb 0.22 -0.30 0.09 0.00 0.03 0.00 0.00 46.19 46.23 1wvo s LEU 26 CO 0.06 -0.65 1.15 0.28 0.23 0.00 0.00 176.35 177.43 1wvo s THR 27 N -3.37 0.00 -0.21 5.49 -1.32 -0.95 -4.56 115.64 110.73 1wvo s THR 27 Ca 0.36 -0.41 -0.01 0.00 -1.21 0.00 0.00 61.69 60.42 1wvo s THR 27 Cb 0.08 -2.33 0.06 0.00 -1.51 0.00 0.00 72.50 68.80 1wvo s THR 27 CO 0.15 0.00 -0.01 0.54 -2.21 0.00 0.00 174.62 173.09 1wvo s VAL 28 N -2.54 1.05 -0.28 5.08 0.11 -1.26 -0.97 120.40 121.59 1wvo s VAL 28 Ca 0.18 -0.87 -0.29 0.00 -2.93 0.00 0.00 61.98 58.06 1wvo s VAL 28 Cb 0.01 -1.41 -0.02 0.00 -1.53 0.00 0.00 36.38 33.43 1wvo s VAL 28 CO 0.00 -0.12 1.65 -0.75 -3.33 0.00 0.00 175.10 172.55 1wvo s LYS 29 N 1.62 3.61 0.16 1.54 2.20 0.74 -4.80 119.74 124.81 1wvo s LYS 29 Ca -0.03 1.49 -0.31 0.00 -0.36 0.00 0.00 55.97 56.76 1wvo s LYS 29 Cb -0.18 -4.09 -0.09 0.00 -1.51 0.00 0.00 37.83 31.97 1wvo s LYS 29 CO -0.07 -1.52 1.45 0.54 -0.36 0.00 0.00 175.35 175.40 1wvo s VAL 30 N 5.79 2.97 0.00 4.02 0.11 -1.26 -1.27 120.40 130.76 1wvo s VAL 30 Ca 0.73 0.71 0.00 0.00 -2.93 0.00 0.00 61.98 60.49 1wvo s VAL 30 Cb -0.23 -3.46 0.00 0.00 -1.53 0.00 0.00 36.38 31.17 1wvo s VAL 30 CO 0.31 0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.76 1wvo n GLY 31 N 3.34 -1.59 3.18 6.54 0.00 0.25 -4.94 105.19 111.98 1wvo n GLY 31 Ca 0.11 0.58 -0.12 0.00 0.00 0.00 0.00 46.02 46.59 1wvo n GLY 31 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wvo s GLU 32 N 0.00 0.86 0.00 1.61 -1.05 -1.26 -4.51 118.70 114.36 1wvo s GLU 32 Ca 0.00 -1.29 0.00 0.00 -0.15 0.00 0.00 54.97 53.53 1wvo s GLU 32 Cb 0.00 -0.35 0.00 0.00 -0.44 0.00 0.00 34.13 33.34 1wvo s GLU 32 CO 0.00 0.02 0.77 -0.35 0.95 0.00 0.00 175.26 176.66 1wvo n PRO 33 N 0.13 0.67 -1.80 -4.83 -0.04 -1.25 -2.05 135.00 125.82 1wvo n PRO 33 Ca -0.13 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.92 1wvo n PRO 33 Cb 0.60 -1.17 -0.00 0.00 -0.04 0.00 0.00 33.50 32.89 1wvo n PRO 33 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1wvo s LYS 34 N 0.39 4.11 0.00 0.54 2.20 -1.26 -4.16 119.74 121.57 1wvo s LYS 34 Ca 0.00 2.57 0.00 0.00 -0.36 0.00 0.00 55.97 58.18 1wvo s LYS 34 Cb 0.00 -2.98 0.00 0.00 -1.51 0.00 0.00 37.83 33.34 1wvo s LYS 34 CO 0.00 -0.55 0.00 0.41 -0.36 0.00 0.00 175.35 174.85 1wvo n GLY 35 N 0.80 1.18 3.28 5.54 0.00 -1.26 -4.37 105.19 110.36 1wvo n GLY 35 Ca 0.02 0.09 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 1wvo n GLY 35 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wvo s TYR 36 N 0.00 -0.29 0.61 1.61 5.04 -1.25 -4.58 117.35 118.48 1wvo s TYR 36 Ca 0.00 0.54 -0.08 0.00 -2.44 0.00 0.00 57.07 55.09 1wvo s TYR 36 Cb 0.00 0.14 -0.00 0.00 0.35 0.00 0.00 41.96 42.45 1wvo s TYR 36 CO 0.00 -0.38 0.95 -1.25 -1.34 0.00 0.00 175.55 173.54 1wvo s PRO 37 N -0.97 3.08 0.02 4.97 0.04 -1.26 -2.27 135.00 138.61 1wvo s PRO 37 Ca -0.10 0.24 0.28 0.00 0.04 0.00 0.00 61.00 61.46 1wvo s PRO 37 Cb -0.04 -2.20 1.19 0.00 0.04 0.00 0.00 34.50 33.49 1wvo s PRO 37 CO 0.04 -0.70 1.90 -0.35 0.04 0.00 0.00 177.00 177.93 1wvo n PRO 38 N -2.67 0.02 0.24 0.56 -0.04 -1.26 -3.21 135.00 128.64 1wvo n PRO 38 Ca 0.05 0.03 0.14 0.00 -0.04 0.00 0.00 63.50 63.67 1wvo n PRO 38 Cb 0.57 -1.52 0.35 0.00 -0.04 0.00 0.00 33.50 32.85 1wvo n PRO 38 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1wvo h GLU 39 N 0.00 0.00 -0.08 0.54 4.57 -1.98 -3.27 114.58 114.36 1wvo h GLU 39 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1wvo h GLU 39 Cb 0.51 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1wvo h GLU 39 CO 0.00 0.00 0.00 -0.25 -1.18 0.00 0.00 179.01 177.58 1wvo n ASP 40 N -3.07 2.13 -0.27 1.04 8.00 -1.20 -4.74 116.55 118.44 1wvo n ASP 40 Ca 0.03 -1.89 0.19 0.00 0.71 0.00 0.00 54.79 53.83 1wvo n ASP 40 Cb 0.45 -0.06 0.50 0.00 -0.02 0.00 0.00 41.12 41.99 1wvo n ASP 40 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1wvo h ILE 41 N 0.56 0.65 0.00 0.53 2.10 -1.61 0.64 117.51 120.39 1wvo h ILE 41 Ca 0.00 -0.15 -0.02 0.00 1.08 0.00 0.00 64.86 65.78 1wvo h ILE 41 Cb 0.51 0.19 -0.00 0.00 -1.09 0.00 0.00 36.82 36.42 1wvo h ILE 41 CO 0.00 0.08 -0.07 -0.26 -1.08 0.00 0.00 178.15 176.81 1wvo h PHE 42 N 0.43 0.00 0.00 2.19 0.04 -1.86 -1.07 116.94 116.68 1wvo h PHE 42 Ca 0.50 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 61.07 1wvo h PHE 42 Cb 1.21 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.34 1wvo h PHE 42 CO -0.00 0.07 -0.93 -0.91 -0.60 0.00 0.00 178.31 175.94 1wvo h ASN 43 N 0.00 0.02 0.21 2.17 2.35 -1.23 -3.24 115.58 115.85 1wvo h ASN 43 Ca -0.00 -0.02 -0.24 0.00 -0.55 0.00 0.00 56.30 55.48 1wvo h ASN 43 Cb 0.15 -0.01 0.01 0.00 0.05 0.00 0.00 38.32 38.52 1wvo h ASN 43 CO 0.01 0.94 -1.00 -0.07 -1.65 0.00 0.00 177.43 175.66 1wvo h LEU 44 N 0.01 0.69 -9.35 1.61 3.38 -1.21 -3.41 115.31 107.02 1wvo h LEU 44 Ca -0.01 -0.56 -0.54 0.00 0.09 0.00 0.00 57.88 56.86 1wvo h LEU 44 Cb 1.63 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 42.19 1wvo h LEU 44 CO 0.12 1.36 1.13 -0.69 0.09 0.00 0.00 178.44 180.45 1wvo s VAL 45 N -3.27 3.20 0.00 1.22 1.01 -0.52 -1.04 120.40 121.00 1wvo s VAL 45 Ca -0.07 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1wvo s VAL 45 Cb 0.08 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1wvo s VAL 45 CO 0.89 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.58 1wvo n GLY 46 N 4.27 0.56 3.93 4.51 0.00 -0.72 -4.91 105.19 112.82 1wvo n GLY 46 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 1wvo n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wvo s LYS 47 N -0.63 2.30 -0.12 1.61 1.02 -0.21 -4.77 119.74 118.94 1wvo s LYS 47 Ca 0.00 -0.19 0.01 0.00 0.02 0.00 0.00 55.97 55.81 1wvo s LYS 47 Cb 0.00 -2.17 -0.01 0.00 -0.52 0.00 0.00 37.83 35.13 1wvo s LYS 47 CO 0.00 -1.18 -0.17 0.21 -0.92 0.00 0.00 175.35 173.30 1wvo s LYS 48 N -5.23 3.27 0.37 1.68 2.20 -1.26 -1.48 119.74 119.30 1wvo s LYS 48 Ca 0.59 -0.75 -0.26 0.00 -0.36 0.00 0.00 55.97 55.20 1wvo s LYS 48 Cb -0.11 -2.52 -0.09 0.00 -1.51 0.00 0.00 37.83 33.60 1wvo s LYS 48 CO 0.45 0.21 1.11 0.14 -0.36 0.00 0.00 175.35 176.89 1wvo s VAL 49 N 0.34 3.45 -0.70 4.02 -7.23 -1.12 -0.74 120.40 118.42 1wvo s VAL 49 Ca -0.13 1.22 0.24 0.00 -1.81 0.00 0.00 61.98 61.49 1wvo s VAL 49 Cb -0.17 -3.68 -0.01 0.00 0.56 0.00 0.00 36.38 33.08 1wvo s VAL 49 CO 0.07 0.11 1.24 0.18 -0.31 0.00 0.00 175.10 176.39 1wvo n LEU 50 N 0.24 0.64 -3.89 1.32 4.77 -0.16 -1.23 117.00 118.69 1wvo n LEU 50 Ca 0.03 0.10 -0.09 0.00 -0.03 0.00 0.00 56.01 56.02 1wvo n LEU 50 Cb 0.47 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.33 1wvo n LEU 50 CO 0.49 0.01 -0.03 0.68 -1.33 0.00 0.00 177.39 177.21 1wvo s VAL 51 N -3.15 0.09 0.16 4.08 -7.23 -1.26 -4.83 120.40 108.27 1wvo s VAL 51 Ca 0.06 -1.24 -0.30 0.00 -1.81 0.00 0.00 61.98 58.70 1wvo s VAL 51 Cb 0.14 -1.60 -0.08 0.00 0.56 0.00 0.00 36.38 35.41 1wvo s VAL 51 CO 0.74 -0.43 1.21 -0.89 -0.31 0.00 0.00 175.10 175.42 1wvo s THR 52 N -3.91 3.65 -0.18 5.32 2.01 -1.26 -3.93 115.64 117.33 1wvo s THR 52 Ca 0.11 1.33 -0.02 0.00 0.31 0.00 0.00 61.69 63.42 1wvo s THR 52 Cb 0.04 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.68 1wvo s THR 52 CO -0.05 0.19 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.30 1wvo s VAL 53 N 0.22 3.28 0.87 3.82 1.01 -0.47 -4.89 120.40 124.24 1wvo s VAL 53 Ca 0.54 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.84 1wvo s VAL 53 Cb -0.32 -2.44 0.12 0.00 0.00 0.00 0.00 36.38 33.74 1wvo s VAL 53 CO 0.35 0.47 1.20 -1.61 0.00 0.00 0.00 175.10 175.51 1wvo s GLU 54 N 0.96 1.43 0.45 2.72 2.02 -1.26 -0.20 118.70 124.82 1wvo s GLU 54 Ca -0.01 0.04 -0.25 0.00 0.02 0.00 0.00 54.97 54.77 1wvo s GLU 54 Cb -0.15 -1.90 -0.08 0.00 0.10 0.00 0.00 34.13 32.11 1wvo s GLU 54 CO -0.00 -1.95 1.35 -2.00 0.02 0.00 0.00 175.26 172.67 1wvo s GLU 55 N -5.58 3.70 0.00 1.61 2.12 -1.25 -2.12 118.70 117.17 1wvo s GLU 55 Ca 0.65 2.24 0.00 0.00 0.36 0.00 0.00 54.97 58.22 1wvo s GLU 55 Cb -0.10 -2.60 0.00 0.00 0.26 0.00 0.00 34.13 31.69 1wvo s GLU 55 CO 0.51 -0.74 0.00 -3.47 -0.54 0.00 0.00 175.26 171.01 1wvo n ASP 56 N -0.25 -4.77 -4.82 -1.70 2.03 0.87 -4.96 116.55 102.95 1wvo n ASP 56 Ca 0.06 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.04 1wvo n ASP 56 Cb 0.43 -3.13 -0.06 0.00 -0.72 0.00 0.00 41.12 37.65 1wvo n ASP 56 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1wvo s ASP 57 N -2.01 6.76 -0.22 1.67 -1.08 -0.90 -4.74 116.67 116.15 1wvo s ASP 57 Ca 0.00 1.73 -0.29 0.00 -0.52 0.00 0.00 52.55 53.47 1wvo s ASP 57 Cb 0.00 -2.54 -0.01 0.00 -1.46 0.00 0.00 42.92 38.91 1wvo s ASP 57 CO 0.00 -0.49 1.28 -0.89 0.52 0.00 0.00 175.17 175.59 1wvo s THR 58 N -2.19 4.23 0.40 1.71 2.01 -1.26 -1.72 115.64 118.82 1wvo s THR 58 Ca 0.63 1.45 -0.24 0.00 0.31 0.00 0.00 61.69 63.84 1wvo s THR 58 Cb -0.11 -4.06 -0.09 0.00 0.01 0.00 0.00 72.50 68.25 1wvo s THR 58 CO 0.17 -0.27 1.03 -0.63 -0.69 0.00 0.00 174.62 174.23 1wvo s ILE 59 N 3.86 3.80 0.05 1.82 -1.09 -0.85 -4.97 121.20 123.82 1wvo s ILE 59 Ca 0.55 1.36 -0.03 0.00 -2.23 0.00 0.00 60.65 60.30 1wvo s ILE 59 Cb -0.20 -3.69 -0.02 0.00 -1.58 0.00 0.00 42.46 36.97 1wvo s ILE 59 CO 0.18 -0.01 0.03 -0.04 -1.23 0.00 0.00 174.94 173.87 1wvo s MET 60 N -2.54 0.59 0.28 2.79 -1.94 -1.26 -3.88 119.30 113.34 1wvo s MET 60 Ca 0.58 -0.97 0.23 0.00 -1.71 0.00 0.00 55.69 53.82 1wvo s MET 60 Cb -0.21 0.22 1.03 0.00 2.01 0.00 0.00 34.83 37.88 1wvo s MET 60 CO 0.26 -0.13 1.70 -0.85 -0.01 0.00 0.00 175.02 175.99 1wvo n GLU 61 N 0.48 0.18 0.04 2.03 0.28 -1.26 -2.22 120.64 120.17 1wvo n GLU 61 Ca -0.17 0.48 -0.12 0.00 -0.16 0.00 0.00 57.16 57.18 1wvo n GLU 61 Cb 0.60 -1.90 -0.14 0.00 1.43 0.00 0.00 31.44 31.43 1wvo n GLU 61 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1wvo h GLU 62 N 0.00 0.13 -0.03 3.44 4.81 -1.97 -3.34 114.58 117.61 1wvo h GLU 62 Ca 0.00 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1wvo h GLU 62 Cb 0.28 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1wvo h GLU 62 CO 0.00 0.95 0.00 1.28 -0.73 0.00 0.00 179.01 180.51 1wvo n LEU 63 N -3.34 0.24 -4.29 1.64 4.77 -0.94 -4.85 117.00 110.23 1wvo n LEU 63 Ca -0.12 -0.11 -0.21 0.00 -0.03 0.00 0.00 56.01 55.54 1wvo n LEU 63 Cb 1.02 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.97 1wvo n LEU 63 CO 0.48 0.05 -0.47 0.68 -1.33 0.00 0.00 177.39 176.80 1wvo s VAL 64 N -1.96 1.62 1.04 4.08 -7.23 -1.24 -0.98 120.40 115.73 1wvo s VAL 64 Ca 0.20 -1.79 -0.18 0.00 -1.81 0.00 0.00 61.98 58.40 1wvo s VAL 64 Cb 0.09 -1.68 0.25 0.00 0.56 0.00 0.00 36.38 35.60 1wvo s VAL 64 CO 0.15 -0.32 1.11 -0.90 -0.31 0.00 0.00 175.10 174.84 1wvo n ASP 65 N 0.49 -1.07 -4.78 4.85 5.75 0.08 -4.82 116.55 117.06 1wvo n ASP 65 Ca -0.15 -1.27 -0.37 0.00 -0.01 0.00 0.00 54.79 52.99 1wvo n ASP 65 Cb 0.57 -0.94 -0.03 0.00 -1.03 0.00 0.00 41.12 39.68 1wvo n ASP 65 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1wvo s ASN 66 N -4.82 6.71 -0.70 -1.12 2.47 -1.26 -4.81 114.94 111.41 1wvo s ASN 66 Ca 0.68 2.15 -0.26 0.00 0.42 0.00 0.00 52.86 55.85 1wvo s ASN 66 Cb -0.04 -2.60 -0.08 0.00 -1.45 0.00 0.00 41.25 37.08 1wvo s ASN 66 CO 0.50 -0.53 2.23 -2.28 -3.72 0.00 0.00 177.10 173.30 1wvo s HIS 67 N -1.54 1.33 0.00 0.43 5.65 -1.26 -4.54 115.29 115.36 1wvo s HIS 67 Ca 0.57 1.42 0.00 0.00 0.25 0.00 0.00 55.06 57.29 1wvo s HIS 67 Cb -0.25 -3.70 0.00 0.00 -1.18 0.00 0.00 32.58 27.45 1wvo s HIS 67 CO 0.32 -1.98 0.00 0.41 -0.65 0.00 0.00 174.74 172.83 1wvo n GLY 68 N 6.43 -2.69 2.87 1.59 0.00 -1.26 -5.02 105.19 107.10 1wvo n GLY 68 Ca 0.39 -1.39 -0.24 0.00 0.00 0.00 0.00 46.02 44.78 1wvo n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wvo s LYS 69 N -3.43 1.12 -0.17 1.61 2.20 -1.26 -5.14 119.74 114.67 1wvo s LYS 69 Ca 0.00 -0.13 -0.24 0.00 -0.36 0.00 0.00 55.97 55.24 1wvo s LYS 69 Cb 0.00 -1.23 0.06 0.00 -1.51 0.00 0.00 37.83 35.15 1wvo s LYS 69 CO 0.00 -0.21 0.63 -1.59 -0.36 0.00 0.00 175.35 173.82 1wvo s LYS 70 N 1.53 0.83 0.60 4.03 0.00 -1.26 -5.16 119.74 120.30 1wvo s LYS 70 Ca -0.00 0.64 -0.13 0.00 0.00 0.00 0.00 55.97 56.48 1wvo s LYS 70 Cb -0.13 0.40 -0.05 0.00 0.00 0.00 0.00 37.83 38.05 1wvo s LYS 70 CO -0.04 -0.16 1.02 0.96 0.00 0.00 0.00 175.35 177.12 1wvo s ILE 71 N -0.20 4.55 0.12 3.79 -4.36 -1.26 -5.07 121.20 118.76 1wvo s ILE 71 Ca -0.04 0.96 0.04 0.00 -0.26 0.00 0.00 60.65 61.35 1wvo s ILE 71 Cb -0.03 -3.76 -0.04 0.00 1.25 0.00 0.00 42.46 39.88 1wvo s ILE 71 CO 0.04 -0.96 0.11 -1.59 0.24 0.00 0.00 174.94 172.78 1wvo s LYS 72 N -4.79 2.91 0.40 0.37 -2.85 -1.26 -5.13 119.74 109.39 1wvo s LYS 72 Ca 0.57 -0.78 0.03 0.00 -1.00 0.00 0.00 55.97 54.79 1wvo s LYS 72 Cb -0.11 -2.69 -0.01 0.00 -2.06 0.00 0.00 37.83 32.96 1wvo s LYS 72 CO 0.47 0.52 0.59 -1.12 0.10 0.00 0.00 175.35 175.91 1wvo s SER 73 N -2.78 5.91 0.01 0.03 0.01 -1.26 -5.11 113.70 110.52 1wvo s SER 73 Ca 0.30 0.13 -0.02 0.00 1.31 0.00 0.00 55.95 57.67 1wvo s SER 73 Cb -0.11 -1.46 0.01 0.00 0.21 0.00 0.00 66.02 64.66 1wvo s SER 73 CO 0.23 -0.57 0.08 -0.24 0.41 0.00 0.00 173.24 173.14 1wvo n SER 74 N -1.90 -0.12 -4.46 2.44 2.88 -1.26 -5.20 113.62 106.01 1wvo n SER 74 Ca 0.00 -1.06 -0.23 0.00 -1.33 0.00 0.00 58.87 56.26 1wvo n SER 74 Cb 0.58 0.19 -0.10 0.00 -0.75 0.00 0.00 64.21 64.12 1wvo n SER 74 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wvo s GLY 75 N -2.13 1.90 0.00 0.46 0.00 -1.26 -5.04 107.32 101.25 1wvo s GLY 75 Ca 0.02 -1.93 0.22 0.00 0.00 0.00 0.00 44.72 43.03 1wvo s GLY 75 CO 0.00 -1.91 1.76 -1.55 0.00 0.00 0.00 173.10 171.41 1wvo n PRO 76 N -0.63 0.85 -3.85 2.90 -0.04 -1.26 -4.74 135.00 128.22 1wvo n PRO 76 Ca -0.06 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.31 1wvo n PRO 76 Cb 0.63 -1.41 -0.08 0.00 -0.04 0.00 0.00 33.50 32.59 1wvo n PRO 76 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wvo s SER 77 N -1.85 0.07 0.37 3.54 0.15 -1.26 -5.18 113.70 109.53 1wvo s SER 77 Ca 0.33 -0.45 -0.15 0.00 0.70 0.00 0.00 55.95 56.39 1wvo s SER 77 Cb 0.15 0.30 0.04 0.00 -1.71 0.00 0.00 66.02 64.80 1wvo s SER 77 CO 0.26 -0.60 0.74 -0.44 1.20 0.00 0.00 173.24 174.40 1wvo s SER 78 N -2.29 0.09 0.00 5.45 0.01 -1.26 -5.15 113.70 110.55 1wvo s SER 78 Ca -0.02 -1.13 0.00 0.00 1.31 0.00 0.00 55.95 56.11 1wvo s SER 78 Cb 0.01 0.81 0.00 0.00 0.21 0.00 0.00 66.02 67.05 1wvo s SER 78 CO -0.06 -1.60 0.00 0.61 0.41 0.00 0.00 173.24 172.61