#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 0.03 -4.82 1.61 2.88 -1.26 -5.09 113.62 106.98 1wvo n SER 2 Ca 0.00 -0.25 -0.31 0.00 -1.33 0.00 0.00 58.87 56.98 1wvo n SER 2 Cb 0.00 0.37 0.06 0.00 -0.75 0.00 0.00 64.21 63.89 1wvo n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wvo s SER 3 N -0.37 5.21 0.11 -3.46 0.01 -1.26 -5.09 113.70 108.85 1wvo s SER 3 Ca 0.00 1.58 -0.09 0.00 1.31 0.00 0.00 55.95 58.74 1wvo s SER 3 Cb 0.00 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1wvo s SER 3 CO 0.00 -1.55 0.23 -0.83 0.41 0.00 0.00 173.24 171.50 1wvo s GLY 4 N -3.79 0.15 0.00 3.44 0.00 -1.26 -5.08 107.32 100.77 1wvo s GLY 4 Ca 0.59 -0.63 0.12 0.00 0.00 0.00 0.00 44.72 44.80 1wvo s GLY 4 CO 0.55 -0.76 1.07 -1.14 0.00 0.00 0.00 173.10 172.81 1wvo n SER 5 N -0.11 0.45 -4.67 1.64 3.41 -1.26 -5.11 113.62 107.97 1wvo n SER 5 Ca -0.13 -1.98 -0.47 0.00 -0.26 0.00 0.00 58.87 56.03 1wvo n SER 5 Cb 0.63 -0.23 -0.04 0.00 -0.26 0.00 0.00 64.21 64.30 1wvo n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wvo n SER 6 N 0.24 3.09 0.00 4.04 7.64 -1.26 -4.79 113.62 122.57 1wvo n SER 6 Ca 0.02 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1wvo n SER 6 Cb 0.91 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 1wvo n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wvo n GLY 7 N 3.63 0.78 3.25 0.23 0.00 -1.25 -2.62 105.19 109.21 1wvo n GLY 7 Ca 0.19 -1.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.25 1wvo n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wvo s SER 8 N -3.30 0.10 0.32 1.61 0.01 -1.01 -4.08 113.70 107.35 1wvo s SER 8 Ca 0.00 -0.75 -0.29 0.00 1.31 0.00 0.00 55.95 56.23 1wvo s SER 8 Cb 0.00 0.37 -0.10 0.00 0.21 0.00 0.00 66.02 66.50 1wvo s SER 8 CO 0.00 -0.79 1.22 -0.69 0.41 0.00 0.00 173.24 173.39 1wvo s VAL 9 N -3.90 3.04 0.05 3.43 1.01 -0.14 -1.28 120.40 122.61 1wvo s VAL 9 Ca 0.10 1.03 -0.01 0.00 0.00 0.00 0.00 61.98 63.10 1wvo s VAL 9 Cb 0.04 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1wvo s VAL 9 CO -0.07 0.23 -0.03 0.68 0.00 0.00 0.00 175.10 175.91 1wvo s VAL 10 N -1.18 0.26 0.18 2.92 -7.23 -0.19 -2.91 120.40 112.25 1wvo s VAL 10 Ca 0.48 -1.78 -0.29 0.00 -1.81 0.00 0.00 61.98 58.59 1wvo s VAL 10 Cb -0.36 -1.48 -0.08 0.00 0.56 0.00 0.00 36.38 35.03 1wvo s VAL 10 CO 0.47 -0.96 0.90 0.00 -0.31 0.00 0.00 175.10 175.19 1wvo s ALA 11 N -3.78 3.34 -0.29 1.32 0.00 -0.39 -1.59 121.76 120.38 1wvo s ALA 11 Ca 0.06 0.53 0.19 0.00 0.00 0.00 0.00 51.96 52.75 1wvo s ALA 11 Cb 0.07 -3.16 0.17 0.00 0.00 0.00 0.00 23.12 20.20 1wvo s ALA 11 CO -0.09 0.16 1.44 -0.22 0.00 0.00 0.00 175.76 177.05 1wvo h LYS 12 N 4.65 0.00 -4.14 0.00 3.64 -1.17 0.14 116.57 119.69 1wvo h LYS 12 Ca -0.45 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 58.77 1wvo h LYS 12 Cb 1.20 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.90 1wvo h LYS 12 CO 0.69 0.21 -0.37 0.14 -2.27 0.00 0.00 179.45 177.85 1wvo s VAL 13 N -3.11 0.00 -0.54 2.00 -7.23 -1.26 -4.67 120.40 105.60 1wvo s VAL 13 Ca 0.04 -1.71 -0.27 0.00 -1.81 0.00 0.00 61.98 58.23 1wvo s VAL 13 Cb 0.07 -2.37 -0.00 0.00 0.56 0.00 0.00 36.38 34.63 1wvo s VAL 13 CO 0.72 0.00 1.65 -0.75 -0.31 0.00 0.00 175.10 176.41 1wvo s LYS 14 N -4.05 3.06 -0.47 4.82 2.20 -1.26 -3.91 119.74 120.13 1wvo s LYS 14 Ca 0.31 0.68 -0.23 0.00 -0.36 0.00 0.00 55.97 56.37 1wvo s LYS 14 Cb 0.03 -4.24 0.03 0.00 -1.51 0.00 0.00 37.83 32.15 1wvo s LYS 14 CO 0.11 -2.22 0.81 0.42 -0.36 0.00 0.00 175.35 174.11 1wvo s ILE 15 N 7.31 4.61 0.53 5.43 1.01 -0.31 -4.92 121.20 134.86 1wvo s ILE 15 Ca 0.63 0.36 -0.20 0.00 0.00 0.00 0.00 60.65 61.44 1wvo s ILE 15 Cb -0.14 -4.36 -0.06 0.00 0.01 0.00 0.00 42.46 37.91 1wvo s ILE 15 CO 0.25 -0.79 1.14 -2.16 0.00 0.00 0.00 174.94 173.37 1wvo s PRO 16 N 3.38 3.42 0.41 2.79 0.04 -1.26 -0.45 135.00 143.32 1wvo s PRO 16 Ca 0.29 1.64 -0.24 0.00 0.04 0.00 0.00 61.00 62.73 1wvo s PRO 16 Cb -0.12 -2.07 -0.11 0.00 0.04 0.00 0.00 34.50 32.23 1wvo s PRO 16 CO 0.22 -0.80 0.91 -1.91 0.04 0.00 0.00 177.00 175.46 1wvo n GLU 17 N -1.17 1.17 -0.83 4.56 2.13 -1.26 -2.58 120.64 122.67 1wvo n GLU 17 Ca 0.11 0.42 0.00 0.00 0.66 0.00 0.00 57.16 58.35 1wvo n GLU 17 Cb 0.50 -1.91 0.00 0.00 0.27 0.00 0.00 31.44 30.31 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 1.32 0.85 3.84 8.31 0.00 -0.69 -4.94 105.19 113.87 1wvo n GLY 18 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.33 4.88 0.14 2.61 2.01 -1.06 -4.83 115.64 116.06 1wvo s THR 19 Ca 0.00 0.90 -0.30 0.00 0.31 0.00 0.00 61.69 62.60 1wvo s THR 19 Cb 0.00 -3.76 -0.07 0.00 0.01 0.00 0.00 72.50 68.68 1wvo s THR 19 CO 0.00 0.40 1.00 -0.63 -0.69 0.00 0.00 174.62 174.70 1wvo s ILE 20 N -1.28 4.28 0.32 1.82 -1.09 -1.26 -2.06 121.20 121.92 1wvo s ILE 20 Ca 0.32 1.94 -0.28 0.00 -2.23 0.00 0.00 60.65 60.40 1wvo s ILE 20 Cb -0.16 -4.24 -0.09 0.00 -1.58 0.00 0.00 42.46 36.38 1wvo s ILE 20 CO 0.18 0.32 1.09 -0.76 -1.23 0.00 0.00 174.94 174.54 1wvo s LEU 21 N -0.21 4.42 0.14 2.97 1.43 0.79 -4.92 118.68 123.30 1wvo s LEU 21 Ca 0.47 2.21 -0.02 0.00 -1.03 0.00 0.00 54.13 55.76 1wvo s LEU 21 Cb -0.25 -3.80 -0.03 0.00 0.03 0.00 0.00 46.19 42.13 1wvo s LEU 21 CO 0.31 -0.27 0.10 0.42 0.23 0.00 0.00 176.35 177.14 1wvo s THR 22 N -1.31 0.09 0.40 5.49 -4.23 -1.26 -0.95 115.64 113.87 1wvo s THR 22 Ca 0.49 -1.82 0.34 0.00 -1.18 0.00 0.00 61.69 59.51 1wvo s THR 22 Cb -0.29 -2.03 0.36 0.00 1.34 0.00 0.00 72.50 71.88 1wvo s THR 22 CO 0.37 -0.42 2.13 0.24 -0.54 0.00 0.00 174.62 176.41 1wvo h MET 23 N 2.80 0.00 -0.03 3.99 2.86 -1.96 -2.36 114.93 120.23 1wvo h MET 23 Ca -0.34 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.21 1wvo h MET 23 Cb 1.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.85 1wvo h MET 23 CO 0.57 0.06 -0.39 -0.44 1.06 0.00 0.00 176.91 177.77 1wvo h ASP 24 N 0.00 0.05 -0.52 1.22 5.19 -2.00 -3.07 116.42 117.28 1wvo h ASP 24 Ca -0.00 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1wvo h ASP 24 Cb 0.29 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.79 1wvo h ASP 24 CO 0.01 0.44 0.00 0.23 -3.12 0.00 0.00 179.24 176.79 1wvo n MET 25 N -4.07 2.86 -4.28 3.56 2.81 -0.90 -4.76 117.12 112.35 1wvo n MET 25 Ca -0.02 -2.37 -0.15 0.00 -1.81 0.00 0.00 57.70 53.35 1wvo n MET 25 Cb 0.43 -1.44 -0.10 0.00 -0.71 0.00 0.00 33.22 31.40 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 -1.09 2.36 0.12 4.03 1.43 -1.11 -0.75 118.68 123.66 1wvo s LEU 26 Ca 0.36 -1.10 -0.25 0.00 -1.03 0.00 0.00 54.13 52.10 1wvo s LEU 26 Cb 0.19 -0.28 0.08 0.00 0.03 0.00 0.00 46.19 46.22 1wvo s LEU 26 CO 0.23 -0.43 1.08 0.28 0.23 0.00 0.00 176.35 177.75 1wvo s THR 27 N -3.41 0.00 0.22 5.49 -1.32 -0.62 -4.51 115.64 111.49 1wvo s THR 27 Ca 0.22 -0.51 0.10 0.00 -1.21 0.00 0.00 61.69 60.28 1wvo s THR 27 Cb 0.04 -2.49 -0.04 0.00 -1.51 0.00 0.00 72.50 68.50 1wvo s THR 27 CO 0.04 0.00 -0.09 -0.69 -2.21 0.00 0.00 174.62 171.67 1wvo s VAL 28 N -2.52 3.13 -0.21 5.08 1.01 -1.26 -1.02 120.40 124.60 1wvo s VAL 28 Ca 0.19 -1.85 0.00 0.00 0.00 0.00 0.00 61.98 60.32 1wvo s VAL 28 Cb -0.01 -2.60 0.05 0.00 0.00 0.00 0.00 36.38 33.83 1wvo s VAL 28 CO 0.02 -0.22 -0.05 -0.75 0.00 0.00 0.00 175.10 174.10 1wvo s LYS 29 N -3.16 1.55 0.85 2.72 2.20 -0.40 -4.86 119.74 118.65 1wvo s LYS 29 Ca 0.27 -0.82 -0.11 0.00 -0.36 0.00 0.00 55.97 54.95 1wvo s LYS 29 Cb -0.08 -2.41 0.11 0.00 -1.51 0.00 0.00 37.83 33.95 1wvo s LYS 29 CO 0.16 -0.55 1.15 0.14 -0.36 0.00 0.00 175.35 175.89 1wvo s VAL 30 N 1.49 2.35 0.00 4.02 -7.23 -1.26 -2.41 120.40 117.36 1wvo s VAL 30 Ca -0.03 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.26 1wvo s VAL 30 Cb -0.18 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.42 1wvo s VAL 30 CO -0.07 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.19 1wvo n GLY 31 N -0.03 1.30 3.56 2.32 0.00 -1.08 -4.82 105.19 106.44 1wvo n GLY 31 Ca 0.12 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 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 1.99 0.00 1.61 -1.05 -1.26 -3.96 118.70 116.04 1wvo s GLU 32 Ca 0.00 -1.45 0.00 0.00 -0.15 0.00 0.00 54.97 53.37 1wvo s GLU 32 Cb 0.00 -2.04 0.00 0.00 -0.44 0.00 0.00 34.13 31.65 1wvo s GLU 32 CO 0.00 0.39 0.64 -0.35 0.95 0.00 0.00 175.26 176.89 1wvo n PRO 33 N -0.36 0.87 -1.58 -4.83 -0.04 -1.26 -2.63 135.00 125.17 1wvo n PRO 33 Ca -0.08 0.00 -0.47 0.00 -0.04 0.00 0.00 63.50 62.91 1wvo n PRO 33 Cb 0.58 -1.22 -0.05 0.00 -0.04 0.00 0.00 33.50 32.76 1wvo n PRO 33 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1wvo n LYS 34 N -0.21 1.80 0.00 0.54 3.00 -1.26 -4.60 118.16 117.43 1wvo n LYS 34 Ca 0.00 0.56 0.00 0.00 -0.00 0.00 0.00 58.31 58.87 1wvo n LYS 34 Cb 0.11 -2.81 0.00 0.00 0.00 0.00 0.00 35.03 32.33 1wvo n LYS 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wvo n GLY 35 N 5.54 -1.66 3.70 3.14 0.00 -1.26 -4.63 105.19 110.02 1wvo n GLY 35 Ca 0.31 -2.08 -0.44 0.00 0.00 0.00 0.00 46.02 43.81 1wvo n GLY 35 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wvo n TYR 36 N -0.00 2.56 -1.74 1.61 9.36 -0.30 -4.83 117.16 123.83 1wvo n TYR 36 Ca 0.00 0.14 -0.34 0.00 3.32 0.00 0.00 57.90 61.02 1wvo n TYR 36 Cb 0.00 -2.62 0.06 0.00 -0.63 0.00 0.00 39.34 36.15 1wvo n TYR 36 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1wvo s PRO 37 N 0.97 2.64 0.38 2.98 0.04 -1.26 -0.97 135.00 139.79 1wvo s PRO 37 Ca 0.76 1.64 0.21 0.00 0.04 0.00 0.00 61.00 63.65 1wvo s PRO 37 Cb -0.57 -1.91 0.44 0.00 0.04 0.00 0.00 34.50 32.50 1wvo s PRO 37 CO 0.35 -1.42 1.62 -1.00 0.04 0.00 0.00 177.00 176.60 1wvo h PRO 38 N 0.21 0.00 -0.74 0.56 0.13 -1.90 -3.24 132.00 127.02 1wvo h PRO 38 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 1wvo h PRO 38 Cb 1.28 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1wvo h PRO 38 CO 0.53 0.26 0.30 1.49 -0.23 0.00 0.00 178.00 180.35 1wvo h GLU 39 N 0.00 1.10 -0.05 0.86 4.57 -1.93 -2.54 114.58 116.59 1wvo h GLU 39 Ca -0.00 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 1wvo h GLU 39 Cb 1.06 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 1wvo h GLU 39 CO 0.03 0.89 0.00 -0.25 -1.18 0.00 0.00 179.01 178.51 1wvo n ASP 40 N -4.34 0.51 -0.33 1.04 8.00 -1.22 -4.38 116.55 115.82 1wvo n ASP 40 Ca 0.06 -1.52 0.26 0.00 0.71 0.00 0.00 54.79 54.31 1wvo n ASP 40 Cb 0.17 -0.03 0.57 0.00 -0.02 0.00 0.00 41.12 41.81 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 0.68 0.47 -0.10 0.53 2.10 -1.51 0.55 117.51 120.22 1wvo h ILE 41 Ca 0.00 -0.10 0.03 0.00 1.08 0.00 0.00 64.86 65.87 1wvo h ILE 41 Cb 0.15 0.16 -0.00 0.00 -1.09 0.00 0.00 36.82 36.03 1wvo h ILE 41 CO 0.00 0.05 0.08 -0.26 -1.08 0.00 0.00 178.15 176.94 1wvo h PHE 42 N 0.28 0.00 -0.22 2.19 0.04 -1.84 -1.44 116.94 115.95 1wvo h PHE 42 Ca 0.61 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 61.22 1wvo h PHE 42 Cb 1.75 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.90 1wvo h PHE 42 CO -0.00 0.00 -0.46 -0.91 -0.60 0.00 0.00 178.31 176.34 1wvo h ASN 43 N 0.00 0.79 -0.54 2.17 2.35 -1.23 -3.22 115.58 115.90 1wvo h ASN 43 Ca 0.05 -0.55 -0.06 0.00 -0.55 0.00 0.00 56.30 55.19 1wvo h ASN 43 Cb 0.21 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1wvo h ASN 43 CO -0.00 1.19 0.10 -0.07 -1.65 0.00 0.00 177.43 177.01 1wvo h LEU 44 N 0.42 0.85 -8.57 1.61 3.38 -1.35 -3.40 115.31 108.25 1wvo h LEU 44 Ca 0.01 -0.25 -0.41 0.00 0.09 0.00 0.00 57.88 57.32 1wvo h LEU 44 Cb 1.07 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.60 1wvo h LEU 44 CO 0.10 0.88 1.41 -0.69 0.09 0.00 0.00 178.44 180.24 1wvo s VAL 45 N -5.23 3.03 0.00 1.22 1.01 -0.80 -1.21 120.40 118.42 1wvo s VAL 45 Ca -0.13 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1wvo s VAL 45 Cb 0.12 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.43 1wvo s VAL 45 CO 0.81 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.45 1wvo n GLY 46 N 6.09 1.42 3.89 4.51 0.00 -0.13 -4.95 105.19 116.03 1wvo n GLY 46 Ca 0.37 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 2.26 -0.11 1.61 1.02 -0.35 -4.60 119.74 119.58 1wvo s LYS 47 Ca 0.00 0.27 -0.04 0.00 0.02 0.00 0.00 55.97 56.22 1wvo s LYS 47 Cb 0.00 -1.97 -0.04 0.00 -0.52 0.00 0.00 37.83 35.30 1wvo s LYS 47 CO 0.00 -1.42 0.04 0.21 -0.92 0.00 0.00 175.35 173.26 1wvo s LYS 48 N -5.47 3.28 0.22 1.68 2.47 -1.26 -0.15 119.74 120.51 1wvo s LYS 48 Ca 0.61 -0.34 -0.30 0.00 -1.56 0.00 0.00 55.97 54.37 1wvo s LYS 48 Cb -0.11 -2.95 -0.08 0.00 -1.46 0.00 0.00 37.83 33.22 1wvo s LYS 48 CO 0.50 0.63 1.04 0.14 0.16 0.00 0.00 175.35 177.82 1wvo s VAL 49 N -0.64 3.89 -0.61 4.02 -7.23 -0.87 -1.46 120.40 117.49 1wvo s VAL 49 Ca 0.11 1.77 0.24 0.00 -1.81 0.00 0.00 61.98 62.30 1wvo s VAL 49 Cb -0.12 -4.13 0.14 0.00 0.56 0.00 0.00 36.38 32.83 1wvo s VAL 49 CO 0.02 0.37 1.45 -0.07 -0.31 0.00 0.00 175.10 176.57 1wvo h LEU 50 N 4.50 0.00 -8.01 1.32 3.38 -1.45 -1.83 115.31 113.22 1wvo h LEU 50 Ca -0.45 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.31 1wvo h LEU 50 Cb 1.21 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.83 1wvo h LEU 50 CO 0.69 0.05 -0.30 0.68 0.09 0.00 0.00 178.44 179.66 1wvo s VAL 51 N -3.17 0.07 0.33 1.22 -7.23 -1.26 -4.83 120.40 105.53 1wvo s VAL 51 Ca 0.07 -1.31 -0.28 0.00 -1.81 0.00 0.00 61.98 58.64 1wvo s VAL 51 Cb 0.12 -1.75 -0.10 0.00 0.56 0.00 0.00 36.38 35.21 1wvo s VAL 51 CO 0.69 -0.33 1.22 -0.89 -0.31 0.00 0.00 175.10 175.48 1wvo s THR 52 N -3.95 3.01 0.16 5.32 2.01 -1.26 -3.98 115.64 116.95 1wvo s THR 52 Ca 0.15 0.98 0.09 0.00 0.31 0.00 0.00 61.69 63.22 1wvo s THR 52 Cb 0.03 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 1wvo s THR 52 CO -0.02 0.21 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.30 1wvo s VAL 53 N -1.20 3.06 0.36 3.82 1.01 0.40 -4.89 120.40 122.96 1wvo s VAL 53 Ca 0.49 -1.61 0.08 0.00 0.00 0.00 0.00 61.98 60.95 1wvo s VAL 53 Cb -0.36 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 1wvo s VAL 53 CO 0.47 -0.03 0.20 -1.61 0.00 0.00 0.00 175.10 174.12 1wvo s GLU 54 N -2.58 2.41 0.15 2.72 2.02 -1.26 -1.16 118.70 121.00 1wvo s GLU 54 Ca 0.22 -1.57 -0.31 0.00 0.02 0.00 0.00 54.97 53.33 1wvo s GLU 54 Cb -0.09 -2.20 -0.10 0.00 0.10 0.00 0.00 34.13 31.83 1wvo s GLU 54 CO 0.13 0.02 1.64 -2.00 0.02 0.00 0.00 175.26 175.07 1wvo s GLU 55 N -3.92 4.19 0.00 1.61 2.12 -1.25 -1.80 118.70 119.65 1wvo s GLU 55 Ca 0.40 2.42 0.00 0.00 0.36 0.00 0.00 54.97 58.16 1wvo s GLU 55 Cb -0.02 -3.27 0.00 0.00 0.26 0.00 0.00 34.13 31.10 1wvo s GLU 55 CO 0.24 -0.68 0.00 -3.47 -0.54 0.00 0.00 175.26 170.81 1wvo n ASP 56 N 4.46 -3.85 -4.71 -1.70 2.03 0.50 -4.96 116.55 108.32 1wvo n ASP 56 Ca 0.15 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.16 1wvo n ASP 56 Cb 0.38 -2.05 0.14 0.00 -0.72 0.00 0.00 41.12 38.87 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 -2.08 3.53 -0.23 1.67 2.15 -0.74 -4.60 116.67 116.36 1wvo s ASP 57 Ca 0.00 1.75 -0.15 0.00 0.43 0.00 0.00 52.55 54.57 1wvo s ASP 57 Cb 0.00 -2.38 -0.04 0.00 -0.30 0.00 0.00 42.92 40.20 1wvo s ASP 57 CO 0.00 -2.64 0.38 -0.89 -0.17 0.00 0.00 175.17 171.85 1wvo s THR 58 N -2.83 5.19 0.42 1.71 2.01 -1.26 -1.26 115.64 119.62 1wvo s THR 58 Ca 0.64 0.63 -0.23 0.00 0.31 0.00 0.00 61.69 63.04 1wvo s THR 58 Cb -0.19 -3.71 -0.09 0.00 0.01 0.00 0.00 72.50 68.52 1wvo s THR 58 CO 0.57 0.21 1.07 -0.63 -0.69 0.00 0.00 174.62 175.15 1wvo s ILE 59 N 1.64 3.64 0.05 1.82 -1.09 -1.15 -4.95 121.20 121.16 1wvo s ILE 59 Ca 0.17 1.23 -0.01 0.00 -2.23 0.00 0.00 60.65 59.80 1wvo s ILE 59 Cb -0.15 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.07 1wvo s ILE 59 CO 0.08 -0.02 -0.02 -0.04 -1.23 0.00 0.00 174.94 173.71 1wvo s MET 60 N -2.59 0.58 0.40 2.79 -1.94 -1.26 -1.15 119.30 116.12 1wvo s MET 60 Ca 0.59 -1.12 0.09 0.00 -1.71 0.00 0.00 55.69 53.55 1wvo s MET 60 Cb -0.22 0.20 0.82 0.00 2.01 0.00 0.00 34.83 37.64 1wvo s MET 60 CO 0.28 -0.11 1.95 1.05 -0.01 0.00 0.00 175.02 178.18 1wvo h GLU 61 N 3.35 0.28 0.00 2.03 -0.00 -1.96 -2.31 114.58 115.98 1wvo h GLU 61 Ca -0.34 -0.05 0.00 0.00 -0.00 0.00 0.00 59.36 58.97 1wvo h GLU 61 Cb 1.15 -0.04 0.00 0.00 -0.00 0.00 0.00 28.75 29.86 1wvo h GLU 61 CO 0.62 0.35 0.00 -0.85 -0.00 0.00 0.00 179.01 179.14 1wvo n GLU 62 N -4.32 0.29 -0.30 1.06 0.28 -1.26 -2.62 120.64 113.76 1wvo n GLU 62 Ca -0.00 0.10 0.10 0.00 -0.16 0.00 0.00 57.16 57.20 1wvo n GLU 62 Cb 0.22 -1.50 0.26 0.00 1.43 0.00 0.00 31.44 31.85 1wvo n GLU 62 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1wvo n LEU 63 N -1.26 3.58 -4.20 -1.84 4.77 -0.87 -4.90 117.00 112.29 1wvo n LEU 63 Ca 0.09 -1.96 -0.15 0.00 -0.03 0.00 0.00 56.01 53.96 1wvo n LEU 63 Cb 0.14 -0.39 -0.11 0.00 -2.33 0.00 0.00 43.42 40.73 1wvo n LEU 63 CO 0.14 0.89 -0.43 0.68 -1.33 0.00 0.00 177.39 177.34 1wvo s VAL 64 N -1.03 1.06 1.10 4.08 -7.23 -1.08 -1.15 120.40 116.16 1wvo s VAL 64 Ca 0.40 -1.67 -0.12 0.00 -1.81 0.00 0.00 61.98 58.77 1wvo s VAL 64 Cb 0.21 -1.42 0.25 0.00 0.56 0.00 0.00 36.38 35.98 1wvo s VAL 64 CO 0.27 -0.52 1.05 1.51 -0.31 0.00 0.00 175.10 177.10 1wvo s ASP 65 N -2.47 1.50 -1.13 4.85 -4.77 -0.54 -4.82 116.67 109.29 1wvo s ASP 65 Ca 0.07 1.59 -0.17 0.00 -3.30 0.00 0.00 52.55 50.74 1wvo s ASP 65 Cb -0.03 -2.30 0.12 0.00 -1.09 0.00 0.00 42.92 39.61 1wvo s ASP 65 CO 0.01 -3.89 1.43 0.54 0.70 0.00 0.00 175.17 173.96 1wvo s ASN 66 N -2.66 6.82 0.00 2.11 4.22 -1.26 -4.80 114.94 119.36 1wvo s ASN 66 Ca 0.68 -2.39 0.05 0.00 -2.14 0.00 0.00 52.86 49.06 1wvo s ASN 66 Cb -0.24 -2.47 0.21 0.00 1.28 0.00 0.00 41.25 40.03 1wvo s ASN 66 CO 0.63 -1.05 1.14 1.57 -2.04 0.00 0.00 177.10 177.35 1wvo n HIS 67 N 7.04 0.00 -3.40 1.54 -0.00 -1.26 -4.76 115.22 114.37 1wvo n HIS 67 Ca 0.36 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.54 1wvo n HIS 67 Cb 0.46 -0.48 0.00 0.00 -0.12 0.00 0.00 29.99 29.86 1wvo n HIS 67 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1wvo n GLY 68 N -0.99 3.65 3.54 1.57 0.00 -1.26 -5.13 105.19 106.58 1wvo n GLY 68 Ca 0.01 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.20 3.45 0.32 1.61 2.20 -1.26 -5.04 119.74 119.82 1wvo s LYS 69 Ca 0.00 -0.10 0.04 0.00 -0.36 0.00 0.00 55.97 55.55 1wvo s LYS 69 Cb 0.00 -3.91 -0.02 0.00 -1.51 0.00 0.00 37.83 32.39 1wvo s LYS 69 CO 0.00 -1.01 0.15 0.36 -0.36 0.00 0.00 175.35 174.48 1wvo n LYS 70 N 6.50 0.56 -4.41 4.03 2.85 -1.26 -5.18 118.16 121.25 1wvo n LYS 70 Ca 0.01 -2.81 -0.26 0.00 -1.05 0.00 0.00 58.31 54.20 1wvo n LYS 70 Cb 0.48 1.72 -0.09 0.00 -0.65 0.00 0.00 35.03 36.49 1wvo n LYS 70 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1wvo s ILE 71 N -2.89 2.15 -0.26 0.58 -1.09 -1.26 -5.06 121.20 113.36 1wvo s ILE 71 Ca 0.21 -1.88 -0.28 0.00 -2.23 0.00 0.00 60.65 56.48 1wvo s ILE 71 Cb 0.01 -2.99 -0.05 0.00 -1.58 0.00 0.00 42.46 37.85 1wvo s ILE 71 CO 0.15 -0.01 2.20 -1.59 -1.23 0.00 0.00 174.94 174.46 1wvo s LYS 72 N -3.79 3.02 -0.08 2.79 -2.85 -1.26 -4.93 119.74 112.64 1wvo s LYS 72 Ca 0.37 1.90 -0.22 0.00 -1.00 0.00 0.00 55.97 57.02 1wvo s LYS 72 Cb 0.07 -4.38 0.05 0.00 -2.06 0.00 0.00 37.83 31.51 1wvo s LYS 72 CO 0.20 -2.23 0.51 0.45 0.10 0.00 0.00 175.35 174.38 1wvo s SER 73 N 8.56 -0.46 0.00 0.03 0.15 -1.26 -5.05 113.70 115.67 1wvo s SER 73 Ca 0.98 0.59 0.27 0.00 0.70 0.00 0.00 55.95 58.49 1wvo s SER 73 Cb -0.30 0.60 0.87 0.00 -1.71 0.00 0.00 66.02 65.48 1wvo s SER 73 CO 0.34 -0.44 1.64 -1.54 1.20 0.00 0.00 173.24 174.44 1wvo n SER 74 N 1.54 1.29 -3.83 5.45 3.41 -1.26 -4.99 113.62 115.22 1wvo n SER 74 Ca -0.18 -1.19 -0.36 0.00 -0.26 0.00 0.00 58.87 56.88 1wvo n SER 74 Cb 0.56 0.07 0.03 0.00 -0.26 0.00 0.00 64.21 64.62 1wvo n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wvo n GLY 75 N 1.27 -0.98 0.35 5.00 0.00 -1.26 -4.87 105.19 104.69 1wvo n GLY 75 Ca 0.15 0.43 0.07 0.00 0.00 0.00 0.00 46.02 46.67 1wvo n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wvo h PRO 76 N -1.90 0.70 0.00 1.61 0.13 -2.05 -3.46 132.00 127.02 1wvo h PRO 76 Ca -0.65 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 64.39 1wvo h PRO 76 Cb 1.37 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1wvo h PRO 76 CO 0.47 0.46 0.01 -1.13 -0.23 0.00 0.00 178.00 177.59 1wvo n SER 77 N -4.48 -0.46 -3.68 1.44 3.41 -1.26 -5.18 113.62 103.41 1wvo n SER 77 Ca 0.10 -1.46 -0.11 0.00 -0.26 0.00 0.00 58.87 57.14 1wvo n SER 77 Cb 0.24 0.81 -0.09 0.00 -0.26 0.00 0.00 64.21 64.91 1wvo n SER 77 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wvo s SER 78 N -1.56 -0.64 0.00 4.04 0.01 -1.26 -5.15 113.70 109.14 1wvo s SER 78 Ca 0.06 1.13 0.00 0.00 1.31 0.00 0.00 55.95 58.45 1wvo s SER 78 Cb -0.01 1.06 0.00 0.00 0.21 0.00 0.00 66.02 67.28 1wvo s SER 78 CO 0.04 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.10