#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pvo s ASN 2 N 0.00 -0.28 0.31 7.83 0.01 -1.26 -5.09 114.94 116.47 2pvo s ASN 2 Ca 0.00 -0.11 -0.29 0.00 -0.71 0.00 0.00 52.86 51.76 2pvo s ASN 2 Cb 0.00 0.37 -0.13 0.00 0.41 0.00 0.00 41.25 41.90 2pvo s ASN 2 CO 0.00 -0.63 1.28 0.52 -1.51 0.00 0.00 177.10 176.76 2pvo n VAL 3 N -0.30 1.78 0.00 1.60 0.31 -1.26 -2.12 118.33 118.34 2pvo n VAL 3 Ca -0.07 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 2pvo n VAL 3 Cb 0.61 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 32.06 2pvo n VAL 3 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pvo n GLY 4 N 1.12 2.82 3.77 2.92 0.00 -0.69 -5.03 105.19 110.10 2pvo n GLY 4 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 2pvo n GLY 4 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pvo s ASP 5 N -0.02 5.09 -0.07 1.61 1.01 -0.90 -4.84 116.67 118.55 2pvo s ASP 5 Ca 0.00 2.03 -0.02 0.00 0.71 0.00 0.00 52.55 55.28 2pvo s ASP 5 Cb 0.00 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 2pvo s ASP 5 CO 0.00 -1.64 0.02 -0.60 0.21 0.00 0.00 175.17 173.15 2pvo s ARG 6 N -4.03 3.00 0.11 8.23 3.52 -1.26 -1.39 118.95 127.14 2pvo s ARG 6 Ca 0.68 -0.41 -0.03 0.00 -0.13 0.00 0.00 55.73 55.83 2pvo s ARG 6 Cb -0.21 -2.81 -0.03 0.00 -1.56 0.00 0.00 34.95 30.34 2pvo s ARG 6 CO 0.41 0.70 0.09 0.14 -0.81 0.00 0.00 175.30 175.83 2pvo s VAL 7 N -0.93 0.13 -0.04 7.11 -7.23 -1.12 -2.47 120.40 115.85 2pvo s VAL 7 Ca 0.15 -1.71 0.04 0.00 -1.81 0.00 0.00 61.98 58.65 2pvo s VAL 7 Cb -0.11 -1.81 -0.00 0.00 0.56 0.00 0.00 36.38 35.01 2pvo s VAL 7 CO 0.04 -0.57 -0.17 -0.60 -0.31 0.00 0.00 175.10 173.48 2pvo s ARG 8 N -3.98 1.81 -0.74 4.82 3.52 -1.15 -1.21 118.95 122.01 2pvo s ARG 8 Ca 0.17 -0.61 -0.26 0.00 -0.13 0.00 0.00 55.73 54.90 2pvo s ARG 8 Cb 0.07 -1.56 -0.05 0.00 -1.56 0.00 0.00 34.95 31.84 2pvo s ARG 8 CO -0.03 0.24 2.00 0.08 -0.81 0.00 0.00 175.30 176.78 2pvo s VAL 9 N 0.06 3.33 -2.11 7.11 1.01 -0.40 -2.94 120.40 126.45 2pvo s VAL 9 Ca -0.04 -0.07 0.15 0.00 0.00 0.00 0.00 61.98 62.02 2pvo s VAL 9 Cb -0.12 -3.80 0.38 0.00 0.00 0.00 0.00 36.38 32.85 2pvo s VAL 9 CO 0.02 -0.76 1.38 0.35 0.00 0.00 0.00 175.10 176.09 2pvo n THR 10 N 7.70 0.41 -4.03 3.92 -2.24 -0.99 -1.40 114.28 117.65 2pvo n THR 10 Ca 0.32 -0.46 -0.11 0.00 -2.27 0.00 0.00 64.05 61.53 2pvo n THR 10 Cb 0.49 0.32 -0.11 0.00 -2.10 0.00 0.00 70.33 68.93 2pvo n THR 10 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2pvo s SER 11 N -1.22 0.60 -0.19 3.42 0.01 -1.23 -4.98 113.70 110.12 2pvo s SER 11 Ca 0.28 -0.52 -0.35 0.00 1.31 0.00 0.00 55.95 56.68 2pvo s SER 11 Cb 0.15 0.06 -0.12 0.00 0.21 0.00 0.00 66.02 66.32 2pvo s SER 11 CO 0.21 -0.23 1.95 -0.24 0.41 0.00 0.00 173.24 175.33 2pvo n SER 12 N 1.56 2.97 -3.71 2.44 2.88 -1.26 -4.44 113.62 114.05 2pvo n SER 12 Ca -0.23 0.82 -0.29 0.00 -1.33 0.00 0.00 58.87 57.84 2pvo n SER 12 Cb 0.55 -1.32 -0.16 0.00 -0.75 0.00 0.00 64.21 62.54 2pvo n SER 12 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2pvo s VAL 13 N 4.98 0.64 -0.49 2.46 1.01 -1.26 -5.00 120.40 122.73 2pvo s VAL 13 Ca 0.98 -1.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.82 2pvo s VAL 13 Cb -0.77 -1.35 0.11 0.00 0.00 0.00 0.00 36.38 34.37 2pvo s VAL 13 CO 0.53 -0.50 0.41 -0.69 0.00 0.00 0.00 175.10 174.85 2pvo s VAL 14 N 1.76 4.84 0.44 2.92 1.01 -1.26 0.51 120.40 130.63 2pvo s VAL 14 Ca 0.05 -1.48 0.01 0.00 0.00 0.00 0.00 61.98 60.57 2pvo s VAL 14 Cb -0.17 -4.07 0.08 0.00 0.00 0.00 0.00 36.38 32.23 2pvo s VAL 14 CO -0.20 -0.75 0.60 1.33 0.00 0.00 0.00 175.10 176.08 2pvo n VAL 15 N 5.11 0.00 -0.92 2.92 0.24 -0.86 -4.82 118.33 120.01 2pvo n VAL 15 Ca -0.12 -1.02 0.00 0.00 -2.04 0.00 0.00 64.34 61.16 2pvo n VAL 15 Cb 0.41 -1.01 0.00 0.00 -1.47 0.00 0.00 33.84 31.77 2pvo n VAL 15 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2pvo n TYR 16 N -2.21 0.00 -1.11 6.34 4.02 -1.26 -2.52 117.16 120.42 2pvo n TYR 16 Ca 0.10 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.88 2pvo n TYR 16 Cb 0.37 0.00 0.27 0.00 -0.02 0.00 0.00 39.34 39.96 2pvo n TYR 16 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 176.86 173.46 2pvo n HIS 17 N 0.00 2.60 -2.91 -0.72 1.44 -1.26 -1.90 115.22 112.48 2pvo n HIS 17 Ca 0.00 -1.40 -0.41 0.00 -2.01 0.00 0.00 57.72 53.90 2pvo n HIS 17 Cb 0.20 -0.76 -0.04 0.00 0.12 0.00 0.00 29.99 29.51 2pvo n HIS 17 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2pvo s HIS 18 N -3.09 3.40 0.46 -1.40 5.04 -1.26 -4.93 115.29 113.51 2pvo s HIS 18 Ca 0.56 1.21 0.21 0.00 -1.54 0.00 0.00 55.06 55.50 2pvo s HIS 18 Cb 0.45 -3.00 1.20 0.00 0.04 0.00 0.00 32.58 31.27 2pvo s HIS 18 CO 0.12 -0.25 1.89 -1.00 -2.34 0.00 0.00 174.74 173.16 2pvo h PRO 19 N 7.38 0.27 -0.07 2.88 0.13 -1.92 0.56 132.00 141.23 2pvo h PRO 19 Ca -0.29 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.84 2pvo h PRO 19 Cb 1.13 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 2pvo h PRO 19 CO 0.84 0.18 0.01 1.49 -0.23 0.00 0.00 178.00 180.28 2pvo h GLU 20 N 0.28 0.04 -1.09 0.86 4.57 -1.97 -3.23 114.58 114.04 2pvo h GLU 20 Ca 0.42 -0.00 -0.50 0.00 -1.18 0.00 0.00 59.36 58.10 2pvo h GLU 20 Cb 1.22 -0.01 -0.42 0.00 -0.16 0.00 0.00 28.75 29.39 2pvo h GLU 20 CO -0.11 0.03 -0.88 0.72 -1.18 0.00 0.00 179.01 177.58 2pvo n HIS 21 N -5.09 2.59 -1.14 0.92 8.25 -0.75 -5.10 115.22 114.89 2pvo n HIS 21 Ca -0.05 -2.70 -0.37 0.00 -0.26 0.00 0.00 57.72 54.33 2pvo n HIS 21 Cb 0.05 -0.22 -0.01 0.00 1.12 0.00 0.00 29.99 30.93 2pvo n HIS 21 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2pvo n LYS 22 N -0.49 0.00 -0.78 -0.41 4.76 0.19 -1.60 118.16 119.83 2pvo n LYS 22 Ca 0.32 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.76 2pvo n LYS 22 Cb 0.79 -0.86 0.00 0.00 -1.84 0.00 0.00 35.03 33.13 2pvo n LYS 22 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2pvo n LYS 23 N 1.06 -1.52 -4.25 1.97 4.81 -0.80 -4.93 118.16 114.50 2pvo n LYS 23 Ca 0.11 0.34 -0.17 0.00 -0.87 0.00 0.00 58.31 57.72 2pvo n LYS 23 Cb 0.30 -4.57 -0.15 0.00 0.02 0.00 0.00 35.03 30.63 2pvo n LYS 23 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2pvo s THR 24 N -0.89 0.56 0.32 3.15 2.01 -0.63 -5.06 115.64 115.10 2pvo s THR 24 Ca 0.00 -0.28 -0.24 0.00 0.31 0.00 0.00 61.69 61.47 2pvo s THR 24 Cb 0.00 -0.48 -0.16 0.00 0.01 0.00 0.00 72.50 71.87 2pvo s THR 24 CO 0.00 0.16 0.28 0.00 -0.69 0.00 0.00 174.62 174.37 2pvo n ALA 25 N 3.02 -2.92 -3.59 7.40 0.00 -1.26 -4.65 120.51 118.51 2pvo n ALA 25 Ca -0.14 0.25 -0.02 0.00 0.00 0.00 0.00 53.44 53.53 2pvo n ALA 25 Cb 0.57 -1.54 -0.05 0.00 0.00 0.00 0.00 19.45 18.43 2pvo n ALA 25 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2pvo s PHE 26 N -1.38 -0.92 -0.19 0.00 5.36 -1.05 -5.00 117.98 114.80 2pvo s PHE 26 Ca 0.61 1.70 -0.28 0.00 -0.96 0.00 0.00 56.93 58.00 2pvo s PHE 26 Cb -0.76 0.55 -0.00 0.00 -0.34 0.00 0.00 43.02 42.47 2pvo s PHE 26 CO 0.60 -0.46 0.98 0.34 -1.46 0.00 0.00 175.22 175.23 2pvo s ASP 27 N 2.08 7.10 0.21 6.13 -1.08 -1.26 -2.02 116.67 127.83 2pvo s ASP 27 Ca -0.07 1.37 0.26 0.00 -0.52 0.00 0.00 52.55 53.59 2pvo s ASP 27 Cb -0.07 -2.52 0.84 0.00 -1.46 0.00 0.00 42.92 39.71 2pvo s ASP 27 CO -0.18 -0.55 1.77 0.18 0.52 0.00 0.00 175.17 176.91 2pvo n LEU 28 N 5.75 0.78 -4.62 -1.34 4.77 0.18 -4.91 117.00 117.62 2pvo n LEU 28 Ca 0.09 0.59 -0.54 0.00 -0.03 0.00 0.00 56.01 56.12 2pvo n LEU 28 Cb 0.47 -0.36 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 2pvo n LEU 28 CO 0.51 -0.23 1.02 1.67 -1.33 0.00 0.00 177.39 179.03 2pvo n GLN 29 N -2.25 1.10 0.00 3.23 7.27 -1.26 -2.02 117.38 123.45 2pvo n GLN 29 Ca 0.05 0.40 0.00 0.00 0.07 0.00 0.00 57.00 57.52 2pvo n GLN 29 Cb 0.40 -2.05 0.00 0.00 2.41 0.00 0.00 30.24 31.00 2pvo n GLN 29 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2pvo n GLY 30 N 2.99 2.80 3.78 1.69 0.00 -0.49 -4.99 105.19 110.98 2pvo n GLY 30 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 2pvo n GLY 30 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2pvo s MET 31 N -0.49 4.22 -0.28 1.61 -1.94 -0.86 -4.70 119.30 116.86 2pvo s MET 31 Ca 0.00 1.50 0.00 0.00 -1.71 0.00 0.00 55.69 55.48 2pvo s MET 31 Cb 0.00 -2.57 0.06 0.00 2.01 0.00 0.00 34.83 34.32 2pvo s MET 31 CO 0.00 -0.09 -0.04 -1.21 -0.01 0.00 0.00 175.02 173.66 2pvo s GLU 32 N -2.44 2.32 0.00 2.03 2.02 -1.26 -1.27 118.70 120.09 2pvo s GLU 32 Ca 0.57 -1.33 0.00 0.00 0.02 0.00 0.00 54.97 54.23 2pvo s GLU 32 Cb -0.22 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 30.95 2pvo s GLU 32 CO 0.27 -0.61 0.00 0.41 0.02 0.00 0.00 175.26 175.35 2pvo n GLY 33 N 4.53 3.67 3.57 -1.39 0.00 -0.35 -4.68 105.19 110.53 2pvo n GLY 33 Ca -0.13 -1.64 -0.08 0.00 0.00 0.00 0.00 46.02 44.18 2pvo n GLY 33 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pvo s GLU 34 N 4.98 0.65 0.07 1.61 2.12 -0.61 -2.78 118.70 124.75 2pvo s GLU 34 Ca 0.00 1.14 -0.30 0.00 0.36 0.00 0.00 54.97 56.16 2pvo s GLU 34 Cb 0.00 0.11 -0.09 0.00 0.26 0.00 0.00 34.13 34.41 2pvo s GLU 34 CO 0.00 -0.15 1.87 0.08 -0.54 0.00 0.00 175.26 176.51 2pvo s VAL 35 N 1.58 2.84 -0.21 3.70 1.01 -0.48 -0.19 120.40 128.66 2pvo s VAL 35 Ca -0.10 0.11 0.17 0.00 0.00 0.00 0.00 61.98 62.16 2pvo s VAL 35 Cb -0.06 -3.07 -0.24 0.00 0.00 0.00 0.00 36.38 33.01 2pvo s VAL 35 CO -0.18 -0.00 0.45 0.00 0.00 0.00 0.00 175.10 175.36 2pvo n ALA 36 N 6.56 2.99 -3.58 5.51 0.00 0.26 -1.71 120.51 130.55 2pvo n ALA 36 Ca 0.18 -0.41 -0.09 0.00 0.00 0.00 0.00 53.44 53.13 2pvo n ALA 36 Cb 0.40 -0.58 -0.04 0.00 0.00 0.00 0.00 19.45 19.23 2pvo n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pvo s ALA 37 N -3.00 -1.96 -0.30 0.00 0.00 -1.10 -4.89 121.76 110.50 2pvo s ALA 37 Ca -0.03 1.58 -0.01 0.00 0.00 0.00 0.00 51.96 53.50 2pvo s ALA 37 Cb 0.11 -0.69 0.09 0.00 0.00 0.00 0.00 23.12 22.64 2pvo s ALA 37 CO 0.69 -0.35 0.08 0.08 0.00 0.00 0.00 175.76 176.26 2pvo s VAL 38 N -1.37 0.90 -0.70 0.00 1.01 -1.25 -0.29 120.40 118.70 2pvo s VAL 38 Ca 0.01 -1.33 -0.27 0.00 0.00 0.00 0.00 61.98 60.39 2pvo s VAL 38 Cb -0.01 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.76 2pvo s VAL 38 CO -0.01 -0.61 1.33 -0.76 0.00 0.00 0.00 175.10 175.05 2pvo s LEU 39 N 1.62 3.22 0.00 3.92 1.02 -0.05 -4.72 118.68 123.69 2pvo s LEU 39 Ca 0.08 -0.27 0.00 0.00 0.02 0.00 0.00 54.13 53.96 2pvo s LEU 39 Cb -0.17 -2.66 0.00 0.00 0.02 0.00 0.00 46.19 43.38 2pvo s LEU 39 CO -0.22 -1.83 0.00 0.35 0.02 0.00 0.00 176.35 174.66 2pvo n THR 40 N 6.51 0.00 -4.31 5.49 -2.24 -1.26 -4.56 114.28 113.92 2pvo n THR 40 Ca 0.06 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.66 2pvo n THR 40 Cb 0.49 -0.29 -0.09 0.00 -2.10 0.00 0.00 70.33 68.34 2pvo n THR 40 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2pvo s GLU 41 N -1.45 1.57 -0.35 -0.78 2.02 -1.26 -1.91 118.70 116.53 2pvo s GLU 41 Ca 0.00 -1.89 0.03 0.00 0.02 0.00 0.00 54.97 53.13 2pvo s GLU 41 Cb 0.00 0.04 0.19 0.00 0.10 0.00 0.00 34.13 34.46 2pvo s GLU 41 CO 0.00 -0.48 0.72 -0.46 0.02 0.00 0.00 175.26 175.06 2pvo s TRP 42 N -3.66 -1.44 -0.39 1.61 -0.11 -0.41 -4.74 118.94 109.80 2pvo s TRP 42 Ca 0.37 0.46 -0.00 0.00 1.22 0.00 0.00 56.10 58.15 2pvo s TRP 42 Cb 0.05 0.26 0.00 0.00 -1.50 0.00 0.00 33.47 32.28 2pvo s TRP 42 CO 0.19 -0.92 0.05 1.04 -4.62 0.00 0.00 176.95 172.68 2pvo n GLN 43 N 4.66 -0.63 0.00 5.86 6.02 -1.26 -3.32 117.38 128.71 2pvo n GLN 43 Ca 0.08 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.30 2pvo n GLN 43 Cb 0.57 -3.87 0.00 0.00 1.02 0.00 0.00 30.24 27.96 2pvo n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pvo n GLY 44 N -0.98 3.03 3.76 1.08 0.00 -1.26 -5.01 105.19 105.81 2pvo n GLY 44 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 2pvo n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pvo s ARG 45 N -0.27 4.22 0.40 1.61 1.81 -1.21 -5.04 118.95 120.46 2pvo s ARG 45 Ca 0.00 0.47 -0.27 0.00 -1.72 0.00 0.00 55.73 54.20 2pvo s ARG 45 Cb 0.00 -3.36 -0.10 0.00 -0.45 0.00 0.00 34.95 31.04 2pvo s ARG 45 CO 0.00 0.35 1.46 -2.14 -0.68 0.00 0.00 175.30 174.29 2pvo s PRO 46 N -0.00 3.99 0.54 3.54 0.02 -1.26 -1.29 135.00 140.54 2pvo s PRO 46 Ca 0.26 2.50 0.06 0.00 0.02 0.00 0.00 61.00 63.84 2pvo s PRO 46 Cb -0.16 -2.87 0.04 0.00 0.02 0.00 0.00 34.50 31.53 2pvo s PRO 46 CO 0.12 -0.61 0.41 0.96 -0.33 0.00 0.00 177.00 177.55 2pvo s ILE 47 N -1.15 1.67 -0.29 2.83 -5.25 -0.80 -4.85 121.20 113.35 2pvo s ILE 47 Ca 0.55 -1.49 0.20 0.00 -0.99 0.00 0.00 60.65 58.92 2pvo s ILE 47 Cb -0.45 -2.15 0.48 0.00 2.95 0.00 0.00 42.46 43.28 2pvo s ILE 47 CO 0.60 0.00 1.12 -1.54 -1.79 0.00 0.00 174.94 173.33 2pvo n SER 48 N -1.77 1.04 -4.66 4.36 3.41 -1.26 -4.81 113.62 109.93 2pvo n SER 48 Ca -0.01 -2.27 -0.42 0.00 -0.26 0.00 0.00 58.87 55.90 2pvo n SER 48 Cb 0.64 -0.30 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 2pvo n SER 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pvo s ALA 49 N -2.99 3.59 -1.87 7.33 0.00 -1.26 -4.85 121.76 121.70 2pvo s ALA 49 Ca 0.25 1.16 0.21 0.00 0.00 0.00 0.00 51.96 53.58 2pvo s ALA 49 Cb 0.38 -3.81 1.21 0.00 0.00 0.00 0.00 23.12 20.91 2pvo s ALA 49 CO -0.03 -1.51 1.65 0.27 0.00 0.00 0.00 175.76 176.14 2pvo n ASN 50 N 7.42 0.00 -3.18 0.00 0.23 -1.26 -3.23 115.26 115.24 2pvo n ASN 50 Ca 0.19 -0.52 -0.18 0.00 -0.53 0.00 0.00 54.58 53.55 2pvo n ASN 50 Cb 0.42 -0.06 -0.03 0.00 -2.08 0.00 0.00 39.78 38.03 2pvo n ASN 50 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2pvo n LEU 51 N -1.06 0.74 0.12 -4.53 4.77 -1.26 -4.62 117.00 111.15 2pvo n LEU 51 Ca 0.15 -4.97 0.08 0.00 -0.03 0.00 0.00 56.01 51.23 2pvo n LEU 51 Cb 0.09 0.73 0.43 0.00 -2.33 0.00 0.00 43.42 42.34 2pvo n LEU 51 CO 0.13 2.28 0.74 -0.81 -1.33 0.00 0.00 177.39 178.41 2pvo n PRO 52 N 0.29 0.10 -3.33 3.23 -0.04 -1.20 -3.89 135.00 130.16 2pvo n PRO 52 Ca 0.24 0.59 -0.41 0.00 -0.04 0.00 0.00 63.50 63.88 2pvo n PRO 52 Cb 0.66 -1.83 -0.09 0.00 -0.04 0.00 0.00 33.50 32.20 2pvo n PRO 52 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2pvo s VAL 53 N -3.39 5.10 -0.28 0.52 1.01 -0.68 -0.87 120.40 121.81 2pvo s VAL 53 Ca -0.01 0.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.95 2pvo s VAL 53 Cb 0.05 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 2pvo s VAL 53 CO 0.15 -0.18 0.19 -0.22 0.00 0.00 0.00 175.10 175.04 2pvo s LEU 54 N 2.17 4.03 -0.10 3.92 2.96 0.60 -0.86 118.68 131.39 2pvo s LEU 54 Ca 0.14 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.07 2pvo s LEU 54 Cb -0.16 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.39 2pvo s LEU 54 CO 0.13 -0.04 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.29 2pvo s VAL 55 N 1.69 3.08 -0.26 1.68 1.01 -0.39 0.90 120.40 128.11 2pvo s VAL 55 Ca 0.07 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.29 2pvo s VAL 55 Cb -0.16 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 2pvo s VAL 55 CO 0.10 0.55 0.12 -0.54 0.00 0.00 0.00 175.10 175.33 2pvo s LYS 56 N -0.01 3.80 0.00 2.72 1.02 0.74 -1.07 119.74 126.95 2pvo s LYS 56 Ca -0.04 -0.40 0.00 0.00 0.02 0.00 0.00 55.97 55.55 2pvo s LYS 56 Cb -0.14 -3.46 0.00 0.00 -0.52 0.00 0.00 37.83 33.71 2pvo s LYS 56 CO 0.04 -0.15 0.00 1.19 -0.92 0.00 0.00 175.35 175.50 2pvo n PHE 57 N 4.89 0.00 -3.14 3.18 3.01 0.10 -1.57 117.46 123.94 2pvo n PHE 57 Ca -0.15 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 57.92 2pvo n PHE 57 Cb 0.52 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.93 2pvo n PHE 57 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2pvo s GLU 58 N 3.07 4.38 0.00 -1.08 2.02 -1.26 -4.28 118.70 121.54 2pvo s GLU 58 Ca 0.00 0.80 0.00 0.00 0.02 0.00 0.00 54.97 55.79 2pvo s GLU 58 Cb 0.00 -3.38 0.00 0.00 0.10 0.00 0.00 34.13 30.85 2pvo s GLU 58 CO 0.00 0.25 0.00 1.04 0.02 0.00 0.00 175.26 176.57 2pvo n GLN 59 N 3.12 0.00 -3.61 1.61 6.02 -1.26 -4.44 117.38 118.82 2pvo n GLN 59 Ca -0.05 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.79 2pvo n GLN 59 Cb 0.51 -1.55 0.01 0.00 1.02 0.00 0.00 30.24 30.23 2pvo n GLN 59 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2pvo n ARG 60 N -0.60 -0.69 -4.05 -1.09 1.74 -1.26 -4.91 116.66 105.80 2pvo n ARG 60 Ca 0.00 -0.14 -0.16 0.00 -0.77 0.00 0.00 57.85 56.78 2pvo n ARG 60 Cb 0.31 -0.47 -0.15 0.00 -1.02 0.00 0.00 32.46 31.13 2pvo n ARG 60 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2pvo s PHE 61 N -3.84 0.38 0.03 -1.55 5.36 -1.26 -5.02 117.98 112.07 2pvo s PHE 61 Ca 0.13 -0.06 -0.05 0.00 -0.96 0.00 0.00 56.93 56.00 2pvo s PHE 61 Cb -0.07 -0.32 -0.01 0.00 -0.34 0.00 0.00 43.02 42.27 2pvo s PHE 61 CO 0.36 -0.06 0.08 -1.59 -1.46 0.00 0.00 175.22 172.55 2pvo s LYS 62 N 0.33 0.52 0.15 10.12 -2.85 -1.26 0.03 119.74 126.78 2pvo s LYS 62 Ca -0.03 -0.67 -0.09 0.00 -1.00 0.00 0.00 55.97 54.18 2pvo s LYS 62 Cb -0.06 0.20 -0.01 0.00 -2.06 0.00 0.00 37.83 35.90 2pvo s LYS 62 CO -0.01 -0.12 0.26 0.00 0.10 0.00 0.00 175.35 175.59 2pvo s ALA 63 N -2.21 -0.06 -0.14 0.59 0.00 -0.23 -4.98 121.76 114.74 2pvo s ALA 63 Ca -0.08 -0.82 -0.06 0.00 0.00 0.00 0.00 51.96 50.99 2pvo s ALA 63 Cb -0.04 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 2pvo s ALA 63 CO -0.03 -0.62 0.09 -1.01 0.00 0.00 0.00 175.76 174.19 2pvo s HIS 64 N -3.94 3.38 0.22 0.00 3.76 -1.26 -1.26 115.29 116.18 2pvo s HIS 64 Ca 0.14 0.30 0.01 0.00 -0.15 0.00 0.00 55.06 55.36 2pvo s HIS 64 Cb 0.04 -1.98 -0.05 0.00 1.11 0.00 0.00 32.58 31.70 2pvo s HIS 64 CO -0.02 0.46 0.09 -0.06 -0.85 0.00 0.00 174.74 174.35 2pvo s PHE 65 N -0.41 1.33 0.50 1.40 0.40 -0.04 -4.97 117.98 116.18 2pvo s PHE 65 Ca 0.10 -1.22 -0.02 0.00 -0.60 0.00 0.00 56.93 55.20 2pvo s PHE 65 Cb -0.12 -0.74 -0.00 0.00 0.51 0.00 0.00 43.02 42.67 2pvo s PHE 65 CO 0.02 -0.42 0.75 1.03 0.70 0.00 0.00 175.22 177.30 2pvo s ARG 66 N -4.05 3.05 0.38 0.44 0.52 -1.26 -1.69 118.95 116.33 2pvo s ARG 66 Ca 0.35 -0.29 0.07 0.00 -0.52 0.00 0.00 55.73 55.34 2pvo s ARG 66 Cb 0.07 -2.45 0.80 0.00 0.52 0.00 0.00 34.95 33.89 2pvo s ARG 66 CO 0.11 -0.41 2.01 -1.35 0.02 0.00 0.00 175.30 175.68 2pvo h PRO 67 N 0.20 0.65 0.00 3.54 0.11 -1.93 -2.64 132.00 131.92 2pvo h PRO 67 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2pvo h PRO 67 Cb 1.25 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2pvo h PRO 67 CO 0.59 0.43 0.00 0.38 -0.21 0.00 0.00 178.00 179.19 2pvo h ASP 68 N 0.67 0.00 -0.00 -2.05 3.04 -2.02 -2.99 116.42 113.07 2pvo h ASP 68 Ca 0.24 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.03 2pvo h ASP 68 Cb 0.12 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.41 2pvo h ASP 68 CO -0.07 0.00 0.00 -0.62 -2.04 0.00 0.00 179.24 176.51 2pvo n GLU 69 N -2.71 1.01 -3.91 4.15 1.02 -1.00 -4.76 120.64 114.44 2pvo n GLU 69 Ca 0.03 -0.01 -0.11 0.00 -0.02 0.00 0.00 57.16 57.06 2pvo n GLU 69 Cb 0.39 -1.40 -0.12 0.00 -0.02 0.00 0.00 31.44 30.29 2pvo n GLU 69 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2pvo s VAL 70 N -2.00 0.06 -0.08 2.62 -7.23 -1.13 -2.36 120.40 110.28 2pvo s VAL 70 Ca 0.38 -0.49 0.02 0.00 -1.81 0.00 0.00 61.98 60.08 2pvo s VAL 70 Cb 0.17 -0.19 0.01 0.00 0.56 0.00 0.00 36.38 36.94 2pvo s VAL 70 CO 0.29 -0.27 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.80 2pvo s THR 71 N -0.80 1.22 0.65 5.32 2.01 -1.15 -4.93 115.64 117.96 2pvo s THR 71 Ca -0.09 -0.50 -0.18 0.00 0.31 0.00 0.00 61.69 61.23 2pvo s THR 71 Cb -0.05 -1.13 -0.01 0.00 0.01 0.00 0.00 72.50 71.32 2pvo s THR 71 CO -0.00 0.38 1.28 -0.22 -0.69 0.00 0.00 174.62 175.36 2pvo s LEU 72 N 0.87 3.55 -0.15 4.42 2.96 -1.26 -2.94 118.68 126.14 2pvo s LEU 72 Ca -0.10 2.57 0.02 0.00 -0.22 0.00 0.00 54.13 56.40 2pvo s LEU 72 Cb -0.15 -4.61 0.01 0.00 0.50 0.00 0.00 46.19 41.94 2pvo s LEU 72 CO 0.01 -2.01 -0.21 -0.63 -1.32 0.00 0.00 176.35 172.19 2pvo s ILE 73 N -1.48 2.04 0.00 6.68 1.01 -1.03 -4.93 121.20 123.48 2pvo s ILE 73 Ca 0.81 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 60.50 2pvo s ILE 73 Cb -0.36 -1.81 0.00 0.00 0.01 0.00 0.00 42.46 40.30 2pvo s ILE 73 CO 0.40 0.54 0.00 -0.62 0.00 0.00 0.00 174.94 175.26