#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wez s SER 2 N 0.00 -0.14 0.00 1.61 0.01 -1.26 -5.02 113.70 108.90 1wez s SER 2 Ca 0.00 0.64 0.00 0.00 1.31 0.00 0.00 55.95 57.90 1wez s SER 2 Cb 0.00 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.84 1wez s SER 2 CO 0.00 -0.20 0.00 -1.20 0.41 0.00 0.00 173.24 172.25 1wez n SER 3 N 4.61 0.00 0.00 2.44 7.64 -1.26 -4.77 113.62 122.29 1wez n SER 3 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1wez n SER 3 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1wez n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wez n GLY 4 N 0.00 -0.62 2.58 0.23 0.00 -1.26 -5.08 105.19 101.04 1wez n GLY 4 Ca 0.00 0.35 -0.28 0.00 0.00 0.00 0.00 46.02 46.09 1wez n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wez s SER 5 N -4.00 3.17 0.07 1.61 0.15 -1.26 -5.12 113.70 108.32 1wez s SER 5 Ca 0.00 -1.08 -0.26 0.00 0.70 0.00 0.00 55.95 55.31 1wez s SER 5 Cb 0.00 -0.36 -0.06 0.00 -1.71 0.00 0.00 66.02 63.89 1wez s SER 5 CO 0.00 -0.40 0.82 -0.44 1.20 0.00 0.00 173.24 174.42 1wez s SER 6 N 2.07 7.31 0.00 5.45 0.01 -1.26 -5.06 113.70 122.23 1wez s SER 6 Ca 0.06 1.57 0.00 0.00 1.31 0.00 0.00 55.95 58.89 1wez s SER 6 Cb -0.16 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.56 1wez s SER 6 CO -0.26 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.01 1wez n GLY 7 N 2.28 -3.09 2.06 3.44 0.00 -1.26 -5.06 105.19 103.57 1wez n GLY 7 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1wez n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wez n SER 8 N 0.00 -3.82 -4.61 1.61 7.64 -1.26 -5.04 113.62 108.14 1wez n SER 8 Ca 0.00 0.85 -0.29 0.00 1.01 0.00 0.00 58.87 60.44 1wez n SER 8 Cb 0.00 3.59 0.20 0.00 -1.01 0.00 0.00 64.21 66.99 1wez n SER 8 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wez s SER 9 N -2.00 2.13 0.84 6.43 0.15 -1.26 -4.98 113.70 115.01 1wez s SER 9 Ca 0.00 1.41 -0.11 0.00 0.70 0.00 0.00 55.95 57.95 1wez s SER 9 Cb 0.00 -2.11 0.10 0.00 -1.71 0.00 0.00 66.02 62.30 1wez s SER 9 CO 0.00 -3.47 1.14 0.12 1.20 0.00 0.00 173.24 172.22 1wez s PHE 10 N -2.76 2.01 -0.01 3.44 5.36 -1.26 -5.05 117.98 119.71 1wez s PHE 10 Ca 0.66 1.69 0.01 0.00 -0.96 0.00 0.00 56.93 58.33 1wez s PHE 10 Cb -0.21 -3.26 0.01 0.00 -0.34 0.00 0.00 43.02 39.22 1wez s PHE 10 CO 0.60 -2.43 -0.03 -0.65 -1.46 0.00 0.00 175.22 171.26 1wez s GLN 11 N -4.62 0.32 0.44 10.12 -0.21 -1.26 -5.16 119.66 119.29 1wez s GLN 11 Ca 0.66 -0.06 0.03 0.00 0.02 0.00 0.00 55.36 56.01 1wez s GLN 11 Cb -0.22 -0.37 -0.02 0.00 1.00 0.00 0.00 33.01 33.41 1wez s GLN 11 CO 0.55 0.00 0.10 0.45 -2.12 0.00 0.00 175.29 174.28 1wez s SER 12 N 0.30 3.18 0.00 5.90 0.15 -1.26 -5.00 113.70 116.97 1wez s SER 12 Ca -0.03 -1.70 0.00 0.00 0.70 0.00 0.00 55.95 54.92 1wez s SER 12 Cb -0.06 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 1wez s SER 12 CO -0.01 -0.94 0.00 0.41 1.20 0.00 0.00 173.24 173.90 1wez n THR 13 N -1.02 0.00 -0.05 6.45 -1.04 -1.26 -4.98 114.28 112.37 1wez n THR 13 Ca -0.10 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.82 1wez n THR 13 Cb 0.65 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.12 1wez n THR 13 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1wez n THR 14 N 0.00 0.56 0.00 12.58 -2.24 -1.26 -5.06 114.28 118.86 1wez n THR 14 Ca 0.00 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1wez n THR 14 Cb 0.00 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 66.92 1wez n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wez n GLY 15 N 2.64 3.56 3.64 3.38 0.00 -1.26 -4.93 105.19 112.22 1wez n GLY 15 Ca -0.19 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 1wez n GLY 15 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wez s HIS 16 N 0.00 2.65 0.19 1.61 3.76 -1.26 -4.08 115.29 118.16 1wez s HIS 16 Ca 0.00 0.86 -0.03 0.00 -0.15 0.00 0.00 55.06 55.74 1wez s HIS 16 Cb 0.00 -3.79 -0.03 0.00 1.11 0.00 0.00 32.58 29.86 1wez s HIS 16 CO 0.00 -1.89 0.17 0.00 -0.85 0.00 0.00 174.74 172.17 1wez s VAL 18 N -4.09 -0.26 0.32 0.00 1.01 0.54 -1.02 120.40 116.90 1wez s VAL 18 Ca 0.31 0.25 -0.17 0.00 0.00 0.00 0.00 61.98 62.37 1wez s VAL 18 Cb 0.06 -0.37 -0.09 0.00 0.00 0.00 0.00 36.38 35.97 1wez s VAL 18 CO 0.08 0.06 0.77 -2.28 0.00 0.00 0.00 175.10 173.73 1wez s HIS 19 N 2.29 3.41 -0.01 5.22 2.46 -0.74 0.71 115.29 128.63 1wez s HIS 19 Ca 0.04 1.31 0.07 0.00 0.47 0.00 0.00 55.06 56.95 1wez s HIS 19 Cb -0.13 -2.60 -0.02 0.00 -0.13 0.00 0.00 32.58 29.70 1wez s HIS 19 CO -0.07 0.11 -0.22 -1.64 -2.47 0.00 0.00 174.74 170.44 1wez s MET 20 N -2.83 1.76 -0.09 2.88 -1.94 0.61 -0.97 119.30 118.72 1wez s MET 20 Ca 0.53 -0.83 -0.14 0.00 -1.71 0.00 0.00 55.69 53.54 1wez s MET 20 Cb -0.11 -1.73 0.03 0.00 2.01 0.00 0.00 34.83 35.03 1wez s MET 20 CO 0.17 0.47 0.35 1.03 -0.01 0.00 0.00 175.02 177.04 1wez s ARG 21 N -0.64 0.54 -0.15 2.03 0.52 -0.35 -1.57 118.95 119.33 1wez s ARG 21 Ca 0.09 0.23 -0.01 0.00 -0.52 0.00 0.00 55.73 55.52 1wez s ARG 21 Cb -0.09 0.25 0.00 0.00 0.52 0.00 0.00 34.95 35.63 1wez s ARG 21 CO -0.00 -0.11 0.13 0.41 0.02 0.00 0.00 175.30 175.75 1wez n GLY 22 N 2.20 0.57 3.87 -3.53 0.00 0.78 0.14 105.19 109.22 1wez n GLY 22 Ca -0.17 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 1wez n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wez s LEU 23 N -2.12 4.07 0.95 0.99 1.43 0.12 -3.59 118.68 120.51 1wez s LEU 23 Ca 0.04 1.07 -0.13 0.00 -1.03 0.00 0.00 54.13 54.07 1wez s LEU 23 Cb -0.02 -3.87 0.16 0.00 0.03 0.00 0.00 46.19 42.49 1wez s LEU 23 CO 0.09 -0.18 1.15 -2.16 0.23 0.00 0.00 176.35 175.48 1wez s PRO 24 N -3.11 0.84 0.11 1.29 0.04 -1.26 -4.40 135.00 128.52 1wez s PRO 24 Ca 0.50 0.18 -0.11 0.00 0.04 0.00 0.00 61.00 61.61 1wez s PRO 24 Cb -0.11 -1.81 -0.12 0.00 0.04 0.00 0.00 34.50 32.50 1wez s PRO 24 CO 0.22 -2.38 1.34 -0.92 0.04 0.00 0.00 177.00 175.30 1wez h TYR 25 N -1.63 1.04 -0.61 0.56 3.20 -1.99 -3.17 116.97 114.38 1wez h TYR 25 Ca -0.49 -0.44 -0.37 0.00 3.14 0.00 0.00 58.73 60.56 1wez h TYR 25 Cb 1.32 -0.17 -0.15 0.00 1.54 0.00 0.00 36.73 39.27 1wez h TYR 25 CO -0.12 1.27 0.43 0.54 -1.64 0.00 0.00 178.16 178.64 1wez n ARG 26 N -3.94 1.97 -4.48 1.82 5.12 -1.26 -4.86 116.66 111.02 1wez n ARG 26 Ca -0.06 -1.80 -0.34 0.00 -1.93 0.00 0.00 57.85 53.72 1wez n ARG 26 Cb 0.72 -1.75 -0.14 0.00 -1.16 0.00 0.00 32.46 30.12 1wez n ARG 26 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wez s ALA 27 N -1.87 2.71 0.35 7.54 0.00 -1.20 -5.06 121.76 124.24 1wez s ALA 27 Ca 0.38 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 51.42 1wez s ALA 27 Cb 0.28 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.99 1wez s ALA 27 CO -0.05 0.06 0.15 -0.08 0.00 0.00 0.00 175.76 175.84 1wez s THR 28 N 0.66 0.45 0.08 0.00 -1.32 -1.26 -4.97 115.64 109.28 1wez s THR 28 Ca -0.05 -2.00 -0.37 0.00 -1.21 0.00 0.00 61.69 58.06 1wez s THR 28 Cb -0.15 -2.47 -0.19 0.00 -1.51 0.00 0.00 72.50 68.18 1wez s THR 28 CO 0.02 0.00 1.56 -0.33 -2.21 0.00 0.00 174.62 173.67 1wez h GLU 29 N 2.03 -1.12 -1.28 7.08 5.08 -1.97 0.70 114.58 125.10 1wez h GLU 29 Ca -0.34 0.08 0.43 0.00 -1.00 0.00 0.00 59.36 58.53 1wez h GLU 29 Cb 1.26 0.25 -0.13 0.00 0.50 0.00 0.00 28.75 30.63 1wez h GLU 29 CO 0.53 -0.74 0.81 -0.91 -1.00 0.00 0.00 179.01 177.70 1wez h ASN 30 N -1.16 0.26 0.05 1.42 4.21 -1.97 0.84 115.58 119.22 1wez h ASN 30 Ca -0.09 0.15 -0.00 0.00 1.21 0.00 0.00 56.30 57.56 1wez h ASN 30 Cb 0.95 0.14 0.00 0.00 -1.12 0.00 0.00 38.32 38.29 1wez h ASN 30 CO 0.05 -0.21 -0.02 0.44 -1.29 0.00 0.00 177.43 176.40 1wez h ASP 31 N 0.09 -0.06 -0.84 5.81 3.32 -1.69 -2.89 116.42 120.17 1wez h ASP 31 Ca 0.82 -0.58 0.24 0.00 0.02 0.00 0.00 57.03 57.54 1wez h ASP 31 Cb 2.52 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 42.05 1wez h ASP 31 CO -0.46 0.67 0.66 0.40 -1.72 0.00 0.00 179.24 178.79 1wez h ILE 32 N -0.91 0.46 -0.04 0.35 2.04 0.59 1.21 117.51 121.21 1wez h ILE 32 Ca -0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1wez h ILE 32 Cb 0.63 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1wez h ILE 32 CO 0.01 0.00 -0.07 1.88 0.00 0.00 0.00 178.15 179.97 1wez h TYR 33 N 0.00 0.15 0.00 1.37 0.05 0.37 -2.88 116.97 116.03 1wez h TYR 33 Ca 0.40 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 59.13 1wez h TYR 33 Cb 1.72 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 39.43 1wez h TYR 33 CO 0.00 0.66 0.00 0.09 -1.05 0.00 0.00 178.16 177.86 1wez n ASN 34 N -4.71 0.00 0.11 3.88 4.13 0.66 -2.06 115.26 117.28 1wez n ASN 34 Ca -0.08 0.40 0.12 0.00 1.68 0.00 0.00 54.58 56.70 1wez n ASN 34 Cb 0.33 -0.47 0.26 0.00 -1.54 0.00 0.00 39.78 38.37 1wez n ASN 34 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1wez h PHE 35 N 0.00 0.00 -0.00 3.10 3.57 0.14 -3.27 116.94 120.48 1wez h PHE 35 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1wez h PHE 35 Cb 0.45 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1wez h PHE 35 CO 0.00 0.00 -0.03 1.19 -2.23 0.00 0.00 178.31 177.24 1wez n PHE 36 N -2.40 0.00 -1.33 0.41 3.72 -1.10 -4.95 117.46 111.81 1wez n PHE 36 Ca 0.04 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.12 1wez n PHE 36 Cb 0.46 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.09 1wez n PHE 36 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1wez s SER 37 N -0.52 4.39 -0.24 4.37 0.01 -0.87 -3.76 113.70 117.08 1wez s SER 37 Ca 0.02 1.99 -0.29 0.00 1.31 0.00 0.00 55.95 58.98 1wez s SER 37 Cb 0.02 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.70 1wez s SER 37 CO 0.05 -2.12 1.31 -2.16 0.41 0.00 0.00 173.24 170.74 1wez s PRO 38 N -4.53 4.04 0.12 12.44 0.04 -1.26 -5.02 135.00 140.82 1wez s PRO 38 Ca 0.65 1.46 -0.26 0.00 0.04 0.00 0.00 61.00 62.89 1wez s PRO 38 Cb -0.20 -3.85 0.07 0.00 0.04 0.00 0.00 34.50 30.57 1wez s PRO 38 CO 0.51 -0.96 0.99 -0.51 0.04 0.00 0.00 177.00 177.07 1wez s LEU 39 N 4.07 -0.18 -0.34 -3.56 1.43 -1.25 -5.00 118.68 113.86 1wez s LEU 39 Ca 0.57 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 53.33 1wez s LEU 39 Cb -0.20 2.07 0.13 0.00 0.03 0.00 0.00 46.19 48.22 1wez s LEU 39 CO 0.20 -0.81 0.18 0.20 0.23 0.00 0.00 176.35 176.35 1wez s ASN 40 N -2.89 3.27 -0.16 2.29 0.01 -1.26 -4.97 114.94 111.22 1wez s ASN 40 Ca 0.12 -1.95 -0.29 0.00 -0.71 0.00 0.00 52.86 50.02 1wez s ASN 40 Cb -0.01 -0.49 -0.02 0.00 0.41 0.00 0.00 41.25 41.15 1wez s ASN 40 CO 0.00 -0.35 1.28 -2.16 -1.51 0.00 0.00 177.10 174.36 1wez s PRO 41 N 1.31 4.23 0.26 -0.60 0.04 -1.26 -4.81 135.00 134.17 1wez s PRO 41 Ca 0.15 1.68 -0.01 0.00 0.04 0.00 0.00 61.00 62.86 1wez s PRO 41 Cb -0.21 -3.77 0.58 0.00 0.04 0.00 0.00 34.50 31.14 1wez s PRO 41 CO -0.11 -0.72 1.35 -1.33 0.04 0.00 0.00 177.00 176.24 1wez n MET 42 N 6.64 -0.07 -3.57 4.56 2.81 0.54 -4.57 117.12 123.45 1wez n MET 42 Ca 0.14 1.31 -0.16 0.00 -1.81 0.00 0.00 57.70 57.19 1wez n MET 42 Cb 0.45 -2.05 -0.06 0.00 -0.71 0.00 0.00 33.22 30.85 1wez n MET 42 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1wez s ARG 43 N -5.91 1.00 -0.31 0.03 0.52 -1.24 -4.97 118.95 108.07 1wez s ARG 43 Ca -0.12 -0.02 -0.00 0.00 -0.52 0.00 0.00 55.73 55.07 1wez s ARG 43 Cb 0.25 0.46 0.10 0.00 0.52 0.00 0.00 34.95 36.28 1wez s ARG 43 CO 0.68 -0.33 0.09 0.08 0.02 0.00 0.00 175.30 175.84 1wez s VAL 44 N -1.77 0.97 0.09 3.52 1.01 -1.26 -2.10 120.40 120.86 1wez s VAL 44 Ca -0.09 -1.45 -0.25 0.00 0.00 0.00 0.00 61.98 60.18 1wez s VAL 44 Cb -0.01 -1.73 -0.06 0.00 0.00 0.00 0.00 36.38 34.57 1wez s VAL 44 CO 0.04 -0.66 0.78 -2.28 0.00 0.00 0.00 175.10 172.98 1wez s HIS 45 N 1.57 3.80 -0.43 5.22 5.04 -0.03 -4.89 115.29 125.57 1wez s HIS 45 Ca 0.10 1.55 -0.08 0.00 -1.54 0.00 0.00 55.06 55.08 1wez s HIS 45 Cb -0.17 -2.82 0.10 0.00 0.04 0.00 0.00 32.58 29.72 1wez s HIS 45 CO -0.24 0.35 0.27 0.42 -2.34 0.00 0.00 174.74 173.19 1wez s ILE 46 N -0.40 4.01 0.12 0.89 -1.09 -1.26 -1.64 121.20 121.84 1wez s ILE 46 Ca 0.38 -1.63 -0.31 0.00 -2.23 0.00 0.00 60.65 56.86 1wez s ILE 46 Cb -0.21 -3.56 -0.10 0.00 -1.58 0.00 0.00 42.46 37.01 1wez s ILE 46 CO 0.24 -0.61 1.74 -0.70 -1.23 0.00 0.00 174.94 174.39 1wez s GLU 47 N 1.35 4.16 -0.12 2.79 2.12 -0.93 -4.98 118.70 123.09 1wez s GLU 47 Ca 0.04 2.50 -0.05 0.00 0.36 0.00 0.00 54.97 57.82 1wez s GLU 47 Cb -0.24 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.63 1wez s GLU 47 CO -0.00 -0.78 0.08 0.42 -0.54 0.00 0.00 175.26 174.44 1wez s ILE 48 N 2.35 4.94 0.00 -3.70 -1.09 -1.26 -2.92 121.20 119.52 1wez s ILE 48 Ca 0.77 -0.00 0.00 0.00 -2.23 0.00 0.00 60.65 59.19 1wez s ILE 48 Cb -0.45 -3.14 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 1wez s ILE 48 CO 0.34 0.58 0.01 0.61 -1.23 0.00 0.00 174.94 175.26 1wez n GLY 49 N 2.34 -0.43 0.00 6.18 0.00 0.31 -4.81 105.19 108.78 1wez n GLY 49 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1wez n GLY 49 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wez n PRO 50 N -0.02 0.00 -2.35 1.61 -0.04 -1.26 -4.89 135.00 128.05 1wez n PRO 50 Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 1wez n PRO 50 Cb 0.00 -0.28 0.06 0.00 -0.04 0.00 0.00 33.50 33.24 1wez n PRO 50 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wez n ASP 51 N -0.15 -0.02 0.00 3.54 9.92 -1.26 -4.94 116.55 123.63 1wez n ASP 51 Ca 0.00 -2.09 0.00 0.00 -0.53 0.00 0.00 54.79 52.17 1wez n ASP 51 Cb 0.00 0.10 0.00 0.00 -0.64 0.00 0.00 41.12 40.58 1wez n ASP 51 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wez n GLY 52 N -0.74 -0.05 3.75 0.44 0.00 -1.26 -5.14 105.19 102.18 1wez n GLY 52 Ca -0.08 0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1wez n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wez s ARG 53 N 0.00 2.65 0.54 1.61 0.52 -1.26 -4.81 118.95 118.20 1wez s ARG 53 Ca 0.00 1.72 -0.02 0.00 -0.52 0.00 0.00 55.73 56.91 1wez s ARG 53 Cb 0.00 -1.90 0.01 0.00 0.52 0.00 0.00 34.95 33.58 1wez s ARG 53 CO 0.00 -1.43 0.80 0.14 0.02 0.00 0.00 175.30 174.82 1wez s VAL 54 N -1.88 3.47 -0.01 3.52 -7.23 -1.26 0.11 120.40 117.12 1wez s VAL 54 Ca 0.74 -0.35 0.08 0.00 -1.81 0.00 0.00 61.98 60.64 1wez s VAL 54 Cb -0.28 -3.33 -0.12 0.00 0.56 0.00 0.00 36.38 33.21 1wez s VAL 54 CO 0.39 -0.28 0.16 1.07 -0.31 0.00 0.00 175.10 176.12 1wez n THR 55 N -2.37 0.03 0.00 5.32 5.66 -1.15 -4.28 114.28 117.49 1wez n THR 55 Ca 0.04 -0.18 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1wez n THR 55 Cb 0.58 0.26 0.00 0.00 -1.55 0.00 0.00 70.33 69.62 1wez n THR 55 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1wez n GLY 56 N 2.10 1.12 3.50 1.09 0.00 -1.26 -4.77 105.19 106.98 1wez n GLY 56 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1wez n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wez s GLU 57 N -0.48 1.81 -0.07 1.61 2.02 -1.26 0.11 118.70 122.44 1wez s GLU 57 Ca 0.00 -1.37 -0.26 0.00 0.02 0.00 0.00 54.97 53.36 1wez s GLU 57 Cb 0.00 -2.02 0.06 0.00 0.10 0.00 0.00 34.13 32.27 1wez s GLU 57 CO 0.00 0.42 0.59 0.00 0.02 0.00 0.00 175.26 176.30 1wez s ALA 58 N -1.65 -1.53 -0.19 5.21 0.00 -0.61 -2.19 121.76 120.80 1wez s ALA 58 Ca 0.23 1.19 -0.02 0.00 0.00 0.00 0.00 51.96 53.36 1wez s ALA 58 Cb -0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 1wez s ALA 58 CO 0.13 -0.34 -0.10 -0.51 0.00 0.00 0.00 175.76 174.94 1wez s ASP 59 N -0.97 3.95 0.11 0.00 1.01 -0.65 0.22 116.67 120.34 1wez s ASP 59 Ca -0.10 -0.44 0.05 0.00 0.71 0.00 0.00 52.55 52.77 1wez s ASP 59 Cb -0.02 -1.65 -0.04 0.00 1.01 0.00 0.00 42.92 42.22 1wez s ASP 59 CO 0.07 0.02 0.02 -0.69 0.21 0.00 0.00 175.17 174.80 1wez s VAL 60 N 1.20 4.04 0.02 -1.27 1.01 0.22 -0.85 120.40 124.77 1wez s VAL 60 Ca 0.02 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 60.95 1wez s VAL 60 Cb -0.14 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 1wez s VAL 60 CO -0.04 0.05 -0.07 -0.70 0.00 0.00 0.00 175.10 174.35 1wez s GLU 61 N -2.51 0.50 0.09 2.72 -6.30 -0.89 -0.34 118.70 111.97 1wez s GLU 61 Ca 0.27 -0.49 0.02 0.00 -2.50 0.00 0.00 54.97 52.27 1wez s GLU 61 Cb -0.11 -0.39 -0.04 0.00 0.00 0.00 0.00 34.13 33.60 1wez s GLU 61 CO 0.19 0.09 -0.08 -0.06 0.02 0.00 0.00 175.26 175.42 1wez s PHE 62 N -0.76 0.90 0.12 5.30 0.08 -0.86 0.20 117.98 122.96 1wez s PHE 62 Ca -0.04 -0.77 -0.12 0.00 0.12 0.00 0.00 56.93 56.12 1wez s PHE 62 Cb -0.06 -0.51 -0.11 0.00 -0.57 0.00 0.00 43.02 41.76 1wez s PHE 62 CO 0.00 -0.09 1.37 0.00 -0.10 0.00 0.00 175.22 176.40 1wez h ALA 63 N 3.39 0.41 -0.51 5.36 0.00 -1.87 -3.40 119.26 122.64 1wez h ALA 63 Ca -0.36 -0.53 -0.66 0.00 0.00 0.00 0.00 54.91 53.35 1wez h ALA 63 Cb 1.18 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.78 1wez h ALA 63 CO 0.57 0.66 -0.50 0.95 0.00 0.00 0.00 179.25 180.93 1wez s THR 64 N -4.02 0.94 0.00 0.00 -4.23 -1.26 -4.87 115.64 102.20 1wez s THR 64 Ca -0.11 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.22 1wez s THR 64 Cb 0.09 -2.11 -0.31 0.00 1.34 0.00 0.00 72.50 71.52 1wez s THR 64 CO 0.89 0.00 0.99 -0.74 -0.54 0.00 0.00 174.62 175.23 1wez h HIS 65 N 1.39 0.78 -0.32 3.99 2.76 -1.94 -3.31 115.15 118.51 1wez h HIS 65 Ca -0.42 -0.53 0.06 0.00 -2.20 0.00 0.00 60.37 57.28 1wez h HIS 65 Cb 1.31 -0.05 -0.08 0.00 1.55 0.00 0.00 27.41 30.15 1wez h HIS 65 CO 1.64 1.40 -0.42 0.93 -1.30 0.00 0.00 177.93 180.17 1wez h GLU 66 N -0.06 -0.36 -0.23 5.26 4.39 -1.99 1.13 114.58 122.73 1wez h GLU 66 Ca -0.17 0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.62 1wez h GLU 66 Cb 1.80 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 30.53 1wez h GLU 66 CO 0.20 -0.24 0.49 0.22 -1.16 0.00 0.00 179.01 178.52 1wez h ASP 67 N -0.37 0.00 0.08 1.42 1.82 -1.99 0.61 116.42 117.98 1wez h ASP 67 Ca 0.12 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.75 1wez h ASP 67 Cb 0.59 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.60 1wez h ASP 67 CO -0.51 0.00 -0.04 0.00 -1.61 0.00 0.00 179.24 177.08 1wez h ALA 68 N 1.23 -0.11 -0.83 -0.78 0.00 0.11 -2.96 119.26 115.93 1wez h ALA 68 Ca 0.11 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.04 1wez h ALA 68 Cb 1.09 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1wez h ALA 68 CO -0.00 -0.11 0.54 0.28 0.00 0.00 0.00 179.25 179.96 1wez h VAL 69 N -1.02 0.95 -0.08 0.00 2.07 0.92 -0.74 116.25 118.35 1wez h VAL 69 Ca -0.01 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.28 1wez h VAL 69 Cb 0.18 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 1wez h VAL 69 CO 0.02 0.14 -0.15 0.00 0.02 0.00 0.00 177.57 177.60 1wez h ALA 70 N 1.58 -0.12 -0.75 1.67 0.00 0.03 -1.14 119.26 120.54 1wez h ALA 70 Ca 0.38 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.35 1wez h ALA 70 Cb 0.44 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1wez h ALA 70 CO -0.15 -0.62 0.49 0.00 0.00 0.00 0.00 179.25 178.96 1wez h ALA 71 N 0.80 0.97 0.00 0.00 0.00 -1.05 0.13 119.26 120.12 1wez h ALA 71 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1wez h ALA 71 Cb 0.32 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1wez h ALA 71 CO -0.21 0.31 0.00 -1.33 0.00 0.00 0.00 179.25 178.03 1wez n MET 72 N -4.60 0.01 0.31 0.00 2.81 -0.41 -1.96 117.12 113.28 1wez n MET 72 Ca 0.08 0.47 0.15 0.00 -1.81 0.00 0.00 57.70 56.59 1wez n MET 72 Cb 0.06 -1.53 0.79 0.00 -0.71 0.00 0.00 33.22 31.83 1wez n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wez h ALA 73 N 2.08 1.27 -0.33 3.04 0.00 0.42 1.71 119.26 127.45 1wez h ALA 73 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1wez h ALA 73 Cb 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1wez h ALA 73 CO 0.00 -0.27 0.01 1.63 0.00 0.00 0.00 179.25 180.63 1wez n LYS 74 N -2.77 2.76 -1.53 0.00 4.76 -0.83 -4.97 118.16 115.58 1wez n LYS 74 Ca -0.02 -2.94 -0.29 0.00 -2.87 0.00 0.00 58.31 52.19 1wez n LYS 74 Cb 0.33 -1.88 -0.12 0.00 -1.84 0.00 0.00 35.03 31.52 1wez n LYS 74 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1wez n ASP 75 N -0.62 0.71 -0.57 4.39 2.03 0.58 0.14 116.55 123.22 1wez n ASP 75 Ca 0.26 -0.54 0.00 0.00 0.52 0.00 0.00 54.79 55.03 1wez n ASP 75 Cb 0.98 -1.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 1wez n ASP 75 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1wez n LYS 76 N 7.97 0.00 -5.12 -0.67 5.02 -1.12 -4.92 118.16 119.32 1wez n LYS 76 Ca 0.55 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.52 1wez n LYS 76 Cb 0.28 -1.11 -0.15 0.00 -0.02 0.00 0.00 35.03 34.03 1wez n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wez s ALA 77 N -2.14 2.38 -0.68 7.82 0.00 0.12 -4.87 121.76 124.39 1wez s ALA 77 Ca 0.00 -1.06 -0.26 0.00 0.00 0.00 0.00 51.96 50.65 1wez s ALA 77 Cb 0.00 -0.74 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 1wez s ALA 77 CO 0.00 0.54 1.99 0.54 0.00 0.00 0.00 175.76 178.82 1wez s ASN 78 N -0.64 5.04 0.17 0.00 4.22 -1.26 -2.96 114.94 119.52 1wez s ASN 78 Ca 0.10 0.16 -0.14 0.00 -2.14 0.00 0.00 52.86 50.84 1wez s ASN 78 Cb -0.10 -2.53 0.09 0.00 1.28 0.00 0.00 41.25 39.98 1wez s ASN 78 CO -0.00 -2.63 1.82 -0.03 -2.04 0.00 0.00 177.10 174.22 1wez h MET 79 N 14.53 0.60 0.00 3.55 4.05 -1.89 -3.44 114.93 132.33 1wez h MET 79 Ca -0.15 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.23 1wez h MET 79 Cb 1.13 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.79 1wez h MET 79 CO 1.20 0.40 0.00 1.04 0.23 0.00 0.00 176.91 179.77 1wez n GLN 80 N -4.79 0.00 -0.03 0.39 6.02 -1.26 -4.98 117.38 112.73 1wez n GLN 80 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1wez n GLN 80 Cb 0.06 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.32 1wez n GLN 80 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1wez n HIS 81 N -2.03 0.00 -4.20 1.08 1.44 -1.26 -5.09 115.22 105.16 1wez n HIS 81 Ca 0.00 -0.06 -0.12 0.00 -2.01 0.00 0.00 57.72 55.53 1wez n HIS 81 Cb 0.00 -0.01 -0.10 0.00 0.12 0.00 0.00 29.99 30.00 1wez n HIS 81 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1wez s ARG 82 N -0.12 1.01 -0.40 -1.40 1.81 -1.26 -5.09 118.95 113.49 1wez s ARG 82 Ca 0.00 -1.47 -0.19 0.00 -1.72 0.00 0.00 55.73 52.35 1wez s ARG 82 Cb 0.00 -0.08 0.01 0.00 -0.45 0.00 0.00 34.95 34.44 1wez s ARG 82 CO 0.00 -0.16 0.57 0.71 -0.68 0.00 0.00 175.30 175.74 1wez s TYR 83 N -3.79 3.13 0.21 -0.53 2.02 -1.26 -2.67 117.35 114.45 1wez s TYR 83 Ca 0.22 0.02 -0.17 0.00 -0.37 0.00 0.00 57.07 56.78 1wez s TYR 83 Cb 0.07 -3.12 -0.08 0.00 -0.40 0.00 0.00 41.96 38.42 1wez s TYR 83 CO 0.02 -0.71 0.66 0.08 -1.57 0.00 0.00 175.55 174.03 1wez s VAL 84 N 2.57 4.69 -0.16 0.71 1.01 -1.16 -4.62 120.40 123.45 1wez s VAL 84 Ca 0.20 1.06 -0.03 0.00 0.00 0.00 0.00 61.98 63.22 1wez s VAL 84 Cb -0.15 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1wez s VAL 84 CO 0.16 0.17 -0.06 -1.61 0.00 0.00 0.00 175.10 173.75 1wez s GLU 85 N -2.10 3.54 -0.12 2.72 2.02 0.37 -2.77 118.70 122.36 1wez s GLU 85 Ca 0.42 -0.58 -0.00 0.00 0.02 0.00 0.00 54.97 54.83 1wez s GLU 85 Cb -0.15 -2.85 -0.02 0.00 0.10 0.00 0.00 34.13 31.21 1wez s GLU 85 CO 0.20 0.16 -0.12 -0.51 0.02 0.00 0.00 175.26 175.01 1wez s LEU 86 N 0.56 2.81 -0.27 1.80 2.01 -1.26 -1.22 118.68 123.12 1wez s LEU 86 Ca -0.04 -0.27 0.01 0.00 0.01 0.00 0.00 54.13 53.84 1wez s LEU 86 Cb -0.15 -1.63 0.05 0.00 0.01 0.00 0.00 46.19 44.47 1wez s LEU 86 CO 0.03 0.20 -0.08 -0.36 1.01 0.00 0.00 176.35 177.14 1wez s PHE 87 N 0.17 3.23 -0.18 0.29 0.08 -0.14 -4.87 117.98 116.56 1wez s PHE 87 Ca -0.06 -2.12 -0.29 0.00 0.12 0.00 0.00 56.93 54.57 1wez s PHE 87 Cb -0.15 -1.98 -0.03 0.00 -0.57 0.00 0.00 43.02 40.29 1wez s PHE 87 CO 0.05 -0.85 1.55 -1.17 -0.10 0.00 0.00 175.22 174.69 1wez s LEU 88 N 1.16 4.04 -0.26 -0.37 2.96 -1.26 -1.79 118.68 123.15 1wez s LEU 88 Ca -0.07 1.75 -0.01 0.00 -0.22 0.00 0.00 54.13 55.57 1wez s LEU 88 Cb -0.19 -3.53 0.08 0.00 0.50 0.00 0.00 46.19 43.04 1wez s LEU 88 CO -0.04 -1.09 0.06 0.20 -1.32 0.00 0.00 176.35 174.16 1wez s ASN 89 N 3.56 3.63 0.21 3.68 0.01 -0.19 -5.01 114.94 120.84 1wez s ASN 89 Ca 0.68 -1.31 -0.05 0.00 -0.71 0.00 0.00 52.86 51.48 1wez s ASN 89 Cb -0.26 -0.80 -0.03 0.00 0.41 0.00 0.00 41.25 40.57 1wez s ASN 89 CO 0.26 -0.36 0.23 -0.55 -1.51 0.00 0.00 177.10 175.18 1wez s SER 90 N 1.68 0.08 -0.16 -1.22 0.15 -1.26 0.19 113.70 113.17 1wez s SER 90 Ca 0.04 -1.23 0.17 0.00 0.70 0.00 0.00 55.95 55.63 1wez s SER 90 Cb -0.17 0.44 -0.24 0.00 -1.71 0.00 0.00 66.02 64.33 1wez s SER 90 CO -0.18 -0.92 0.12 0.41 1.20 0.00 0.00 173.24 173.87 1wez n THR 91 N -0.29 1.11 -1.18 6.45 -1.04 -1.26 -4.93 114.28 113.14 1wez n THR 91 Ca 0.00 -0.75 0.14 0.00 -2.04 0.00 0.00 64.05 61.40 1wez n THR 91 Cb 0.65 -0.43 -0.05 0.00 -1.82 0.00 0.00 70.33 68.68 1wez n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wez n ALA 92 N -2.62 -3.32 -1.25 2.41 0.00 -1.26 -4.87 120.51 109.59 1wez n ALA 92 Ca -0.27 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1wez n ALA 92 Cb 1.03 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 19.30 1wez n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wez n GLY 93 N -3.62 0.97 2.55 0.00 0.00 -1.26 -4.97 105.19 98.86 1wez n GLY 93 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1wez n GLY 93 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wez n THR 94 N -0.34 -0.17 -1.98 2.61 5.66 -1.26 -5.14 114.28 113.66 1wez n THR 94 Ca 0.00 -2.48 -0.31 0.00 -3.05 0.00 0.00 64.05 58.21 1wez n THR 94 Cb 0.00 0.52 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 1wez n THR 94 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1wez s SER 95 N -1.58 6.30 0.26 1.09 0.01 -1.26 -5.08 113.70 113.44 1wez s SER 95 Ca 0.31 1.46 0.05 0.00 1.31 0.00 0.00 55.95 59.08 1wez s SER 95 Cb 0.25 -2.48 -0.02 0.00 0.21 0.00 0.00 66.02 63.98 1wez s SER 95 CO -0.14 -0.82 0.18 0.61 0.41 0.00 0.00 173.24 173.48 1wez n GLY 96 N -2.48 3.27 3.59 3.44 0.00 -1.26 -5.18 105.19 106.57 1wez n GLY 96 Ca 0.06 -1.90 0.02 0.00 0.00 0.00 0.00 46.02 44.20 1wez n GLY 96 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wez s SER 97 N -2.77 -0.03 0.11 1.61 0.15 -1.26 -5.18 113.70 106.33 1wez s SER 97 Ca 0.26 -0.04 0.04 0.00 0.70 0.00 0.00 55.95 56.91 1wez s SER 97 Cb 0.01 0.06 -0.04 0.00 -1.71 0.00 0.00 66.02 64.35 1wez s SER 97 CO 0.18 -0.11 -0.11 -0.83 1.20 0.00 0.00 173.24 173.57 1wez s GLY 98 N -2.78 0.94 0.94 9.45 0.00 -1.26 -5.16 107.32 109.46 1wez s GLY 98 Ca 0.14 -1.29 -0.13 0.00 0.00 0.00 0.00 44.72 43.44 1wez s GLY 98 CO -0.05 -1.37 1.15 2.56 0.00 0.00 0.00 173.10 175.40 1wez s PRO 99 N -3.03 0.87 -0.30 2.90 0.04 -1.26 -5.09 135.00 129.13 1wez s PRO 99 Ca 0.09 0.19 -0.16 0.00 0.04 0.00 0.00 61.00 61.16 1wez s PRO 99 Cb -0.02 -1.82 0.17 0.00 0.04 0.00 0.00 34.50 32.88 1wez s PRO 99 CO 0.01 -2.36 1.05 0.45 0.04 0.00 0.00 177.00 176.19 1wez s SER 100 N -4.10 -0.47 0.18 6.66 0.15 -1.26 -5.08 113.70 109.78 1wez s SER 100 Ca 0.65 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.93 1wez s SER 100 Cb -0.13 1.53 0.00 0.00 -1.71 0.00 0.00 66.02 65.71 1wez s SER 100 CO 0.53 -0.09 0.00 -1.54 1.20 0.00 0.00 173.24 173.34 1wez n SER 101 N 4.93 0.11 0.00 5.45 3.41 -1.26 -5.37 113.62 120.88 1wez n SER 101 Ca -0.08 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1wez n SER 101 Cb 0.53 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 1wez n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49