#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 6.33 -0.29 1.61 0.01 -1.26 -5.11 113.70 114.99 1wez s SER 2 Ca 0.00 0.19 -0.16 0.00 1.31 0.00 0.00 55.95 57.29 1wez s SER 2 Cb 0.00 -1.92 0.14 0.00 0.21 0.00 0.00 66.02 64.46 1wez s SER 2 CO 0.00 -0.09 0.96 -0.94 0.41 0.00 0.00 173.24 173.58 1wez s SER 3 N -3.76 -0.54 0.00 2.44 1.04 -1.26 -5.09 113.70 106.52 1wez s SER 3 Ca 0.36 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.65 1wez s SER 3 Cb -0.10 1.27 0.00 0.00 0.10 0.00 0.00 66.02 67.29 1wez s SER 3 CO 0.30 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.00 1wez n GLY 4 N 3.86 3.90 3.61 7.32 0.00 -1.26 -5.08 105.19 117.54 1wez n GLY 4 Ca -0.18 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 1wez n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wez s SER 5 N 0.00 5.73 -0.15 1.61 1.04 -1.26 -4.85 113.70 115.83 1wez s SER 5 Ca 0.00 1.89 -0.11 0.00 0.48 0.00 0.00 55.95 58.22 1wez s SER 5 Cb 0.00 -2.52 -0.06 0.00 0.10 0.00 0.00 66.02 63.54 1wez s SER 5 CO 0.00 -1.74 -0.08 0.28 0.98 0.00 0.00 173.24 172.68 1wez h SER 6 N 13.76 0.00 -5.46 7.02 0.02 -2.04 -3.50 113.55 123.34 1wez h SER 6 Ca -0.41 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1wez h SER 6 Cb 1.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 1wez h SER 6 CO 0.97 0.86 -1.02 0.61 -1.14 0.00 0.00 176.83 177.11 1wez n GLY 7 N 1.60 -3.23 0.49 -3.77 0.00 -1.26 -4.94 105.19 94.09 1wez n GLY 7 Ca -0.11 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1wez n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wez n SER 8 N 1.01 -0.82 -4.54 1.61 2.88 -1.26 -5.08 113.62 107.42 1wez n SER 8 Ca -0.04 0.50 -0.34 0.00 -1.33 0.00 0.00 58.87 57.66 1wez n SER 8 Cb 0.19 1.10 -0.06 0.00 -0.75 0.00 0.00 64.21 64.69 1wez n SER 8 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wez n SER 9 N -2.94 1.82 -4.18 -3.46 7.64 -1.26 -4.89 113.62 106.36 1wez n SER 9 Ca 0.00 -0.51 -0.19 0.00 1.01 0.00 0.00 58.87 59.18 1wez n SER 9 Cb 0.00 -1.46 -0.12 0.00 -1.01 0.00 0.00 64.21 61.62 1wez n SER 9 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1wez s PHE 10 N 11.71 1.27 -0.05 1.43 5.36 -1.26 -5.14 117.98 131.31 1wez s PHE 10 Ca 1.05 -0.43 -0.02 0.00 -0.96 0.00 0.00 56.93 56.57 1wez s PHE 10 Cb -0.37 -0.72 0.03 0.00 -0.34 0.00 0.00 43.02 41.63 1wez s PHE 10 CO 0.29 0.07 0.09 -0.65 -1.46 0.00 0.00 175.22 173.55 1wez s GLN 11 N -1.61 -0.02 -0.52 10.12 1.11 -1.26 -5.11 119.66 122.37 1wez s GLN 11 Ca -0.00 0.36 -0.20 0.00 0.01 0.00 0.00 55.36 55.53 1wez s GLN 11 Cb -0.09 -0.33 0.06 0.00 -1.01 0.00 0.00 33.01 31.63 1wez s GLN 11 CO 0.02 -0.25 0.67 -1.54 0.01 0.00 0.00 175.29 174.20 1wez s SER 12 N 1.72 6.23 0.28 5.90 1.04 -1.26 -4.67 113.70 122.94 1wez s SER 12 Ca -0.02 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.51 1wez s SER 12 Cb -0.12 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.69 1wez s SER 12 CO -0.04 -0.95 0.00 0.35 0.98 0.00 0.00 173.24 173.58 1wez n THR 13 N 5.67 0.00 -0.02 2.02 -2.24 -1.26 -5.01 114.28 113.44 1wez n THR 13 Ca -0.06 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.67 1wez n THR 13 Cb 0.45 -0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 68.33 1wez n THR 13 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wez n THR 14 N -3.28 0.26 0.00 4.28 -2.24 -1.26 -5.05 114.28 106.99 1wez n THR 14 Ca 0.00 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1wez n THR 14 Cb 0.00 -1.39 0.00 0.00 -2.10 0.00 0.00 70.33 66.84 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 2.81 3.13 3.62 3.38 0.00 -1.26 -4.90 105.19 111.96 1wez n GLY 15 Ca -0.09 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.24 3.08 0.14 1.61 3.76 -1.26 -3.81 115.29 118.57 1wez s HIS 16 Ca 0.00 0.94 -0.04 0.00 -0.15 0.00 0.00 55.06 55.81 1wez s HIS 16 Cb 0.00 -3.74 -0.03 0.00 1.11 0.00 0.00 32.58 29.93 1wez s HIS 16 CO 0.00 -0.84 0.14 0.00 -0.85 0.00 0.00 174.74 173.19 1wez s VAL 18 N -4.01 0.18 0.28 0.00 1.01 0.24 -1.17 120.40 116.92 1wez s VAL 18 Ca 0.21 0.21 -0.18 0.00 0.00 0.00 0.00 61.98 62.22 1wez s VAL 18 Cb 0.06 -0.36 -0.09 0.00 0.00 0.00 0.00 36.38 35.99 1wez s VAL 18 CO 0.01 0.21 0.75 -2.28 0.00 0.00 0.00 175.10 173.79 1wez s HIS 19 N 1.84 3.52 -0.04 5.22 2.46 -0.88 -0.20 115.29 127.22 1wez s HIS 19 Ca 0.02 1.35 0.06 0.00 0.47 0.00 0.00 55.06 56.96 1wez s HIS 19 Cb -0.12 -2.61 -0.01 0.00 -0.13 0.00 0.00 32.58 29.70 1wez s HIS 19 CO -0.04 0.20 -0.23 -1.64 -2.47 0.00 0.00 174.74 170.57 1wez s MET 20 N -2.47 2.09 0.04 2.88 -1.94 0.34 -1.74 119.30 118.49 1wez s MET 20 Ca 0.49 -0.82 -0.13 0.00 -1.71 0.00 0.00 55.69 53.52 1wez s MET 20 Cb -0.14 -1.89 0.02 0.00 2.01 0.00 0.00 34.83 34.83 1wez s MET 20 CO 0.19 0.42 0.30 1.03 -0.01 0.00 0.00 175.02 176.94 1wez s ARG 21 N -0.32 0.79 -0.98 2.03 0.52 -0.88 -1.12 118.95 118.99 1wez s ARG 21 Ca 0.03 -0.49 -0.05 0.00 -0.52 0.00 0.00 55.73 54.70 1wez s ARG 21 Cb -0.11 0.34 -0.06 0.00 0.52 0.00 0.00 34.95 35.64 1wez s ARG 21 CO 0.01 -0.25 0.86 0.41 0.02 0.00 0.00 175.30 176.35 1wez n GLY 22 N 0.64 -0.93 3.96 -3.53 0.00 0.10 0.52 105.19 105.95 1wez n GLY 22 Ca -0.19 0.47 -0.23 0.00 0.00 0.00 0.00 46.02 46.07 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 -5.29 4.29 0.69 0.99 1.43 -0.32 -3.45 118.68 117.03 1wez s LEU 23 Ca 0.38 0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 53.52 1wez s LEU 23 Cb -0.05 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.24 1wez s LEU 23 CO 0.68 -0.05 1.06 -2.16 0.23 0.00 0.00 176.35 176.11 1wez s PRO 24 N -3.75 2.97 0.31 1.29 0.04 -1.26 -4.61 135.00 129.98 1wez s PRO 24 Ca 0.35 0.97 0.02 0.00 0.04 0.00 0.00 61.00 62.38 1wez s PRO 24 Cb -0.10 -1.99 0.51 0.00 0.04 0.00 0.00 34.50 32.95 1wez s PRO 24 CO 0.29 -1.07 1.83 -0.92 0.04 0.00 0.00 177.00 177.17 1wez h TYR 25 N -0.64 0.63 -1.90 0.56 3.20 -1.99 -2.86 116.97 113.98 1wez h TYR 25 Ca -0.44 -0.08 -0.76 0.00 3.14 0.00 0.00 58.73 60.60 1wez h TYR 25 Cb 1.21 -0.18 -0.28 0.00 1.54 0.00 0.00 36.73 39.03 1wez h TYR 25 CO 0.62 0.62 0.99 0.54 -1.64 0.00 0.00 178.16 179.29 1wez n ARG 26 N -4.25 2.77 -3.97 1.82 5.12 -1.26 -4.82 116.66 112.07 1wez n ARG 26 Ca 0.02 -3.53 -0.34 0.00 -1.93 0.00 0.00 57.85 52.06 1wez n ARG 26 Cb 0.28 -2.27 -0.14 0.00 -1.16 0.00 0.00 32.46 29.16 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 -4.04 2.71 0.31 7.54 0.00 -1.08 -5.03 121.76 122.17 1wez s ALA 27 Ca 0.53 -1.66 0.09 0.00 0.00 0.00 0.00 51.96 50.92 1wez s ALA 27 Cb 0.44 -1.77 -0.05 0.00 0.00 0.00 0.00 23.12 21.75 1wez s ALA 27 CO -0.38 -1.10 0.06 -0.08 0.00 0.00 0.00 175.76 174.26 1wez s THR 28 N 1.24 3.08 0.28 0.00 -1.32 -1.26 -4.94 115.64 112.71 1wez s THR 28 Ca -0.04 -1.85 -0.03 0.00 -1.21 0.00 0.00 61.69 58.56 1wez s THR 28 Cb -0.19 -2.88 0.37 0.00 -1.51 0.00 0.00 72.50 68.29 1wez s THR 28 CO -0.03 -0.26 1.60 -0.33 -2.21 0.00 0.00 174.62 173.39 1wez h GLU 29 N 1.74 0.05 -0.99 7.08 5.08 -1.98 1.51 114.58 127.08 1wez h GLU 29 Ca -0.44 -0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.14 1wez h GLU 29 Cb 1.25 -0.01 -0.12 0.00 0.50 0.00 0.00 28.75 30.37 1wez h GLU 29 CO 0.63 0.03 0.58 -0.91 -1.00 0.00 0.00 179.01 178.34 1wez h ASN 30 N 0.05 0.69 0.02 1.42 2.35 -1.98 0.91 115.58 119.03 1wez h ASN 30 Ca 0.51 0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 56.38 1wez h ASN 30 Cb 0.97 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.35 1wez h ASN 30 CO -0.83 0.17 -0.01 -0.78 -1.65 0.00 0.00 177.43 174.33 1wez h ASP 31 N 0.64 -0.02 -0.26 5.81 1.82 0.17 -1.77 116.42 122.81 1wez h ASP 31 Ca 0.60 -0.50 0.07 0.00 -0.39 0.00 0.00 57.03 56.82 1wez h ASP 31 Cb 1.05 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 41.06 1wez h ASP 31 CO -0.44 0.50 0.22 0.40 -1.61 0.00 0.00 179.24 178.31 1wez h ILE 32 N -0.55 0.64 -0.06 2.25 2.04 0.10 1.03 117.51 122.95 1wez h ILE 32 Ca -0.00 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.61 1wez h ILE 32 Cb 0.52 0.83 0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1wez h ILE 32 CO 0.00 0.00 -0.93 1.88 0.00 0.00 0.00 178.15 179.11 1wez h TYR 33 N 0.00 1.05 0.00 1.37 0.05 0.96 -2.47 116.97 117.94 1wez h TYR 33 Ca 0.12 -0.53 -0.17 0.00 0.05 0.00 0.00 58.73 58.20 1wez h TYR 33 Cb 0.57 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.15 1wez h TYR 33 CO 0.00 1.37 -0.80 -0.97 -1.05 0.00 0.00 178.16 176.70 1wez h ASN 34 N 0.44 0.00 0.16 3.88 -1.24 -0.04 -1.70 115.58 117.08 1wez h ASN 34 Ca -0.10 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.81 1wez h ASN 34 Cb 1.57 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.61 1wez h ASN 34 CO 0.19 0.80 -0.36 0.15 -1.29 0.00 0.00 177.43 176.92 1wez h PHE 35 N 0.00 0.33 0.00 0.67 3.57 0.98 -2.78 116.94 119.70 1wez h PHE 35 Ca -0.01 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1wez h PHE 35 Cb 1.55 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.21 1wez h PHE 35 CO 0.00 0.62 -0.96 1.19 -2.23 0.00 0.00 178.31 176.93 1wez n PHE 36 N -4.06 0.57 -1.42 0.41 3.72 -0.93 -4.82 117.46 110.92 1wez n PHE 36 Ca -0.01 0.17 -0.33 0.00 -0.05 0.00 0.00 57.45 57.22 1wez n PHE 36 Cb 0.45 -0.68 0.09 0.00 -0.94 0.00 0.00 39.48 38.40 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 -4.52 4.41 -0.22 4.37 0.01 -0.65 -3.73 113.70 113.38 1wez s SER 37 Ca 0.02 2.11 -0.29 0.00 1.31 0.00 0.00 55.95 59.10 1wez s SER 37 Cb 0.12 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.78 1wez s SER 37 CO 0.78 -2.11 1.30 -2.16 0.41 0.00 0.00 173.24 171.46 1wez s PRO 38 N -4.25 4.09 0.17 12.44 0.04 -1.26 -4.98 135.00 141.26 1wez s PRO 38 Ca 0.68 1.52 -0.24 0.00 0.04 0.00 0.00 61.00 63.00 1wez s PRO 38 Cb -0.23 -3.83 0.07 0.00 0.04 0.00 0.00 34.50 30.55 1wez s PRO 38 CO 0.47 -0.90 0.99 -0.51 0.04 0.00 0.00 177.00 177.09 1wez s LEU 39 N 3.93 -0.10 -0.34 -3.56 1.43 -1.24 -5.00 118.68 113.79 1wez s LEU 39 Ca 0.56 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 53.12 1wez s LEU 39 Cb -0.20 2.15 0.12 0.00 0.03 0.00 0.00 46.19 48.29 1wez s LEU 39 CO 0.19 -0.96 0.18 0.21 0.23 0.00 0.00 176.35 176.20 1wez s ASN 40 N -3.11 3.29 0.28 2.29 3.84 -1.26 -5.04 114.94 115.23 1wez s ASN 40 Ca 0.16 -1.92 -0.29 0.00 0.21 0.00 0.00 52.86 51.02 1wez s ASN 40 Cb -0.02 -0.48 -0.09 0.00 -0.55 0.00 0.00 41.25 40.11 1wez s ASN 40 CO 0.04 -0.35 1.08 -2.16 -2.79 0.00 0.00 177.10 172.91 1wez s PRO 41 N 1.35 4.65 0.37 0.43 0.04 -1.26 -4.83 135.00 135.76 1wez s PRO 41 Ca 0.15 1.76 0.04 0.00 0.04 0.00 0.00 61.00 62.99 1wez s PRO 41 Cb -0.21 -3.18 0.73 0.00 0.04 0.00 0.00 34.50 31.88 1wez s PRO 41 CO -0.12 0.24 2.02 0.52 0.04 0.00 0.00 177.00 179.69 1wez h MET 42 N 3.82 0.72 -1.04 4.56 2.86 0.11 -3.45 114.93 122.50 1wez h MET 42 Ca -0.47 -0.04 0.20 0.00 -2.06 0.00 0.00 59.70 57.33 1wez h MET 42 Cb 1.21 -0.16 -0.33 0.00 0.06 0.00 0.00 31.60 32.38 1wez h MET 42 CO 0.67 0.48 0.91 -0.98 1.06 0.00 0.00 176.91 179.05 1wez s ARG 43 N -5.64 0.04 -0.23 1.72 1.70 -1.25 -4.98 118.95 110.30 1wez s ARG 43 Ca -0.09 0.04 -0.01 0.00 -0.47 0.00 0.00 55.73 55.20 1wez s ARG 43 Cb 0.18 0.02 0.02 0.00 -0.57 0.00 0.00 34.95 34.60 1wez s ARG 43 CO 0.75 -0.01 -0.10 0.08 -1.08 0.00 0.00 175.30 174.95 1wez s VAL 44 N -0.06 2.68 -0.17 4.99 1.01 -1.26 -2.99 120.40 124.60 1wez s VAL 44 Ca 0.08 -0.96 -0.14 0.00 0.00 0.00 0.00 61.98 60.95 1wez s VAL 44 Cb -0.05 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1wez s VAL 44 CO -0.16 0.31 0.31 -2.28 0.00 0.00 0.00 175.10 173.29 1wez s HIS 45 N 1.32 3.43 -0.26 5.22 5.04 -0.37 -4.93 115.29 124.75 1wez s HIS 45 Ca 0.02 0.59 -0.08 0.00 -1.54 0.00 0.00 55.06 54.05 1wez s HIS 45 Cb -0.16 -2.38 -0.03 0.00 0.04 0.00 0.00 32.58 30.05 1wez s HIS 45 CO -0.07 0.17 0.08 0.42 -2.34 0.00 0.00 174.74 173.00 1wez s ILE 46 N 0.69 4.33 -0.28 0.89 -1.09 -1.26 -1.91 121.20 122.58 1wez s ILE 46 Ca 0.17 -0.20 -0.27 0.00 -2.23 0.00 0.00 60.65 58.12 1wez s ILE 46 Cb -0.13 -3.05 0.01 0.00 -1.58 0.00 0.00 42.46 37.70 1wez s ILE 46 CO 0.05 0.31 0.95 -0.70 -1.23 0.00 0.00 174.94 174.31 1wez s GLU 47 N 1.61 4.11 -0.17 2.79 2.12 -1.20 -5.02 118.70 122.94 1wez s GLU 47 Ca 0.06 0.99 -0.11 0.00 0.36 0.00 0.00 54.97 56.28 1wez s GLU 47 Cb -0.15 -3.69 -0.05 0.00 0.26 0.00 0.00 34.13 30.50 1wez s GLU 47 CO 0.04 -0.70 0.18 0.42 -0.54 0.00 0.00 175.26 174.65 1wez s ILE 48 N 3.21 5.39 0.00 -3.70 -1.09 -1.26 -2.20 121.20 121.55 1wez s ILE 48 Ca 0.40 0.30 0.00 0.00 -2.23 0.00 0.00 60.65 59.12 1wez s ILE 48 Cb -0.14 -3.50 0.00 0.00 -1.58 0.00 0.00 42.46 37.24 1wez s ILE 48 CO 0.11 0.47 0.00 0.61 -1.23 0.00 0.00 174.94 174.90 1wez n GLY 49 N 3.13 1.47 2.17 6.18 0.00 0.19 -4.46 105.19 113.87 1wez n GLY 49 Ca -0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.04 1.65 -4.17 1.61 -0.04 -1.25 -4.61 135.00 128.14 1wez n PRO 50 Ca 0.00 -0.87 -0.37 0.00 -0.04 0.00 0.00 63.50 62.22 1wez n PRO 50 Cb 0.00 -1.96 -0.07 0.00 -0.04 0.00 0.00 33.50 31.43 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 2.78 -1.34 0.05 3.54 8.00 -1.26 -4.09 116.55 124.22 1wez n ASP 51 Ca 0.35 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.75 1wez n ASP 51 Cb 0.63 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.33 1wez n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wez n GLY 52 N -1.15 -0.91 3.92 0.44 0.00 -1.26 -5.15 105.19 101.09 1wez n GLY 52 Ca 0.06 0.24 -0.26 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.00 3.25 0.33 1.61 0.52 -1.26 -4.90 118.95 116.51 1wez s ARG 53 Ca 0.00 0.01 -0.03 0.00 -0.52 0.00 0.00 55.73 55.18 1wez s ARG 53 Cb 0.00 -2.38 -0.04 0.00 0.52 0.00 0.00 34.95 33.05 1wez s ARG 53 CO 0.00 -0.37 0.58 0.14 0.02 0.00 0.00 175.30 175.67 1wez s VAL 54 N -2.78 5.04 -0.11 3.52 -7.23 -1.26 0.57 120.40 118.14 1wez s VAL 54 Ca 0.49 -0.10 0.16 0.00 -1.81 0.00 0.00 61.98 60.73 1wez s VAL 54 Cb -0.10 -3.79 -0.20 0.00 0.56 0.00 0.00 36.38 32.84 1wez s VAL 54 CO 0.44 -0.46 0.59 0.35 -0.31 0.00 0.00 175.10 175.70 1wez n THR 55 N -1.37 1.24 0.00 5.32 -2.24 -0.93 -4.59 114.28 111.70 1wez n THR 55 Ca -0.02 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1wez n THR 55 Cb 0.55 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 1wez n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wez n GLY 56 N 1.50 1.26 3.49 3.38 0.00 -1.26 -4.73 105.19 108.83 1wez n GLY 56 Ca -0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.43 1.77 0.14 1.61 2.02 -1.26 0.03 118.70 122.58 1wez s GLU 57 Ca 0.00 -1.50 -0.21 0.00 0.02 0.00 0.00 54.97 53.28 1wez s GLU 57 Cb 0.00 -1.94 0.06 0.00 0.10 0.00 0.00 34.13 32.35 1wez s GLU 57 CO 0.00 0.39 0.53 0.00 0.02 0.00 0.00 175.26 176.20 1wez s ALA 58 N -1.93 -1.36 -0.06 5.21 0.00 -0.27 -3.24 121.76 120.11 1wez s ALA 58 Ca 0.25 0.32 0.04 0.00 0.00 0.00 0.00 51.96 52.58 1wez s ALA 58 Cb -0.07 0.78 -0.00 0.00 0.00 0.00 0.00 23.12 23.83 1wez s ALA 58 CO 0.13 -0.71 -0.19 -0.51 0.00 0.00 0.00 175.76 174.48 1wez s ASP 59 N -2.71 2.46 0.08 0.00 1.11 -0.80 0.13 116.67 116.93 1wez s ASP 59 Ca 0.01 -0.41 0.09 0.00 0.18 0.00 0.00 52.55 52.42 1wez s ASP 59 Cb 0.00 -0.78 -0.03 0.00 1.07 0.00 0.00 42.92 43.17 1wez s ASP 59 CO -0.12 0.16 -0.23 -0.69 1.18 0.00 0.00 175.17 175.47 1wez s VAL 60 N 0.09 1.89 -0.02 -1.27 1.01 0.72 -1.24 120.40 121.58 1wez s VAL 60 Ca -0.07 -1.45 0.02 0.00 0.00 0.00 0.00 61.98 60.49 1wez s VAL 60 Cb -0.13 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.58 1wez s VAL 60 CO 0.04 0.14 -0.09 -1.61 0.00 0.00 0.00 175.10 173.57 1wez s GLU 61 N -1.57 0.92 0.02 2.72 8.01 -1.16 -0.60 118.70 127.04 1wez s GLU 61 Ca 0.09 -0.30 0.05 0.00 0.01 0.00 0.00 54.97 54.82 1wez s GLU 61 Cb -0.10 -0.86 -0.02 0.00 -4.31 0.00 0.00 34.13 28.84 1wez s GLU 61 CO 0.03 0.12 -0.16 -0.06 0.01 0.00 0.00 175.26 175.21 1wez s PHE 62 N 0.13 1.37 0.11 1.61 0.08 -0.83 0.15 117.98 120.61 1wez s PHE 62 Ca -0.02 -0.31 -0.27 0.00 0.12 0.00 0.00 56.93 56.45 1wez s PHE 62 Cb -0.08 -0.84 -0.09 0.00 -0.57 0.00 0.00 43.02 41.44 1wez s PHE 62 CO 0.00 0.02 1.65 0.00 -0.10 0.00 0.00 175.22 176.79 1wez h ALA 63 N 5.29 -0.41 -4.89 5.36 0.00 -1.88 -3.39 119.26 119.35 1wez h ALA 63 Ca -0.37 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.23 1wez h ALA 63 Cb 1.17 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 1wez h ALA 63 CO 0.46 -0.77 -0.12 0.25 0.00 0.00 0.00 179.25 179.06 1wez n THR 64 N -5.36 0.00 0.07 0.00 -2.24 -1.26 -4.80 114.28 100.70 1wez n THR 64 Ca -0.07 -1.02 -0.23 0.00 -2.27 0.00 0.00 64.05 60.47 1wez n THR 64 Cb 0.27 -0.31 -0.15 0.00 -2.10 0.00 0.00 70.33 68.04 1wez n THR 64 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1wez h HIS 65 N 0.55 0.71 -0.40 4.78 2.76 -1.94 -3.35 115.15 118.25 1wez h HIS 65 Ca -0.16 -0.52 0.06 0.00 -2.20 0.00 0.00 60.37 57.55 1wez h HIS 65 Cb 0.60 -0.03 -0.09 0.00 1.55 0.00 0.00 27.41 29.44 1wez h HIS 65 CO 0.00 1.59 -0.47 0.93 -1.30 0.00 0.00 177.93 178.68 1wez h GLU 66 N -0.02 -0.34 -0.33 5.26 5.08 -1.98 1.35 114.58 123.59 1wez h GLU 66 Ca -0.30 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.18 1wez h GLU 66 Cb 2.00 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 31.31 1wez h GLU 66 CO 0.17 -0.23 0.57 0.22 -1.00 0.00 0.00 179.01 178.74 1wez h ASP 67 N -0.36 0.00 0.06 1.42 3.58 -1.98 0.82 116.42 119.97 1wez h ASP 67 Ca 0.12 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.56 1wez h ASP 67 Cb 0.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.64 1wez h ASP 67 CO -0.58 0.00 -0.03 0.00 -2.88 0.00 0.00 179.24 175.75 1wez h ALA 68 N 1.18 -0.10 -0.63 -0.78 0.00 0.15 -2.82 119.26 116.27 1wez h ALA 68 Ca 0.16 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.20 1wez h ALA 68 Cb 1.30 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1wez h ALA 68 CO -0.00 -0.09 0.43 0.28 0.00 0.00 0.00 179.25 179.87 1wez h VAL 69 N -0.79 0.77 -0.38 0.00 2.07 0.70 0.49 116.25 119.11 1wez h VAL 69 Ca -0.01 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1wez h VAL 69 Cb 0.06 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1wez h VAL 69 CO 0.01 0.04 0.18 0.00 0.02 0.00 0.00 177.57 177.82 1wez h ALA 70 N 1.69 0.49 -0.19 1.67 0.00 0.50 -2.46 119.26 120.96 1wez h ALA 70 Ca 0.30 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 1wez h ALA 70 Cb 0.92 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1wez h ALA 70 CO -0.05 0.05 -0.41 0.00 0.00 0.00 0.00 179.25 178.84 1wez h ALA 71 N 1.03 0.30 -0.12 0.00 0.00 -0.47 -2.86 119.26 117.14 1wez h ALA 71 Ca 0.13 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.62 1wez h ALA 71 Cb 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1wez h ALA 71 CO -0.02 0.41 0.49 0.52 0.00 0.00 0.00 179.25 180.65 1wez h MET 72 N 0.28 0.00 0.00 0.00 2.86 0.05 0.75 114.93 118.87 1wez h MET 72 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1wez h MET 72 Cb 1.01 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.67 1wez h MET 72 CO 0.09 0.00 -0.01 0.00 1.06 0.00 0.00 176.91 178.05 1wez h ALA 73 N 1.13 1.36 -0.74 6.32 0.00 -1.20 -0.53 119.26 125.60 1wez h ALA 73 Ca 0.06 -0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.46 1wez h ALA 73 Cb 1.04 -0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.61 1wez h ALA 73 CO -0.00 0.01 0.65 1.63 0.00 0.00 0.00 179.25 181.53 1wez n LYS 74 N -3.61 2.24 -3.08 0.00 4.76 0.26 -4.90 118.16 113.83 1wez n LYS 74 Ca -0.03 -2.43 -0.38 0.00 -2.87 0.00 0.00 58.31 52.61 1wez n LYS 74 Cb 0.09 -1.95 -0.06 0.00 -1.84 0.00 0.00 35.03 31.26 1wez n LYS 74 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1wez s ASP 75 N -0.83 7.20 0.00 4.39 -4.77 -0.21 -4.23 116.67 118.22 1wez s ASP 75 Ca 0.48 1.49 0.00 0.00 -3.30 0.00 0.00 52.55 51.21 1wez s ASP 75 Cb 0.38 -2.44 0.00 0.00 -1.09 0.00 0.00 42.92 39.76 1wez s ASP 75 CO -0.00 0.16 0.00 0.29 0.70 0.00 0.00 175.17 176.31 1wez n LYS 76 N 1.29 0.00 -0.88 2.11 5.02 -0.37 -4.88 118.16 120.45 1wez n LYS 76 Ca -0.05 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.90 1wez n LYS 76 Cb 0.50 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.47 1wez n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wez n ALA 77 N 0.00 -2.33 -1.93 7.82 0.00 -1.26 -2.73 120.51 120.07 1wez n ALA 77 Ca 0.00 0.34 -0.41 0.00 0.00 0.00 0.00 53.44 53.37 1wez n ALA 77 Cb 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 1wez n ALA 77 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1wez s ASN 78 N -0.09 6.72 -0.07 0.00 -0.87 -1.26 -3.77 114.94 115.60 1wez s ASN 78 Ca 0.51 2.57 -0.02 0.00 -1.57 0.00 0.00 52.86 54.35 1wez s ASN 78 Cb -0.72 -2.61 -0.01 0.00 -0.02 0.00 0.00 41.25 37.88 1wez s ASN 78 CO 0.34 -0.67 0.10 -0.03 -2.57 0.00 0.00 177.10 174.27 1wez h MET 79 N 5.42 -0.08 0.00 -0.60 1.85 -1.75 -3.42 114.93 116.36 1wez h MET 79 Ca -0.45 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.64 1wez h MET 79 Cb 1.21 0.02 0.00 0.00 0.43 0.00 0.00 31.60 33.26 1wez h MET 79 CO 0.80 -0.05 -0.39 1.04 -0.40 0.00 0.00 176.91 177.90 1wez n GLN 80 N -4.28 4.54 0.00 0.39 1.13 -1.26 -4.94 117.38 112.96 1wez n GLN 80 Ca -0.01 -0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 1wez n GLN 80 Cb 0.03 -0.77 0.00 0.00 0.11 0.00 0.00 30.24 29.61 1wez n GLN 80 CO 0.00 0.00 0.00 -2.39 -1.44 0.00 0.00 177.06 173.23 1wez n HIS 81 N -1.21 0.00 -3.65 1.08 1.44 -1.26 -5.14 115.22 106.48 1wez n HIS 81 Ca 0.00 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.40 1wez n HIS 81 Cb 0.07 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.13 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 0.00 3.63 -0.56 -1.40 1.81 -1.26 -4.91 118.95 116.27 1wez s ARG 82 Ca 0.00 -0.06 -0.28 0.00 -1.72 0.00 0.00 55.73 53.67 1wez s ARG 82 Cb 0.00 -2.84 0.02 0.00 -0.45 0.00 0.00 34.95 31.68 1wez s ARG 82 CO 0.00 0.46 1.38 0.71 -0.68 0.00 0.00 175.30 177.17 1wez s TYR 83 N -1.66 2.34 0.31 -0.53 2.02 -1.26 -2.26 117.35 116.31 1wez s TYR 83 Ca 0.41 0.47 -0.12 0.00 -0.37 0.00 0.00 57.07 57.46 1wez s TYR 83 Cb -0.12 -4.41 -0.08 0.00 -0.40 0.00 0.00 41.96 36.95 1wez s TYR 83 CO 0.24 -1.91 0.68 0.08 -1.57 0.00 0.00 175.55 173.07 1wez s VAL 84 N 5.84 4.79 0.03 0.71 1.01 -1.11 -4.71 120.40 126.96 1wez s VAL 84 Ca 0.51 0.69 0.05 0.00 0.00 0.00 0.00 61.98 63.23 1wez s VAL 84 Cb -0.10 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1wez s VAL 84 CO 0.25 -0.23 -0.12 -1.61 0.00 0.00 0.00 175.10 173.39 1wez s GLU 85 N -3.14 2.29 -0.04 2.72 0.41 0.19 -1.24 118.70 119.89 1wez s GLU 85 Ca 0.51 -0.87 0.02 0.00 -0.41 0.00 0.00 54.97 54.22 1wez s GLU 85 Cb -0.11 -2.33 0.01 0.00 -1.78 0.00 0.00 34.13 29.92 1wez s GLU 85 CO 0.22 0.56 -0.06 -0.51 -0.49 0.00 0.00 175.26 174.98 1wez s LEU 86 N -1.48 1.54 -0.27 1.80 1.43 -1.26 -2.08 118.68 118.35 1wez s LEU 86 Ca 0.16 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1wez s LEU 86 Cb -0.11 -0.47 0.05 0.00 0.03 0.00 0.00 46.19 45.69 1wez s LEU 86 CO 0.07 -0.01 -0.06 -0.36 0.23 0.00 0.00 176.35 176.22 1wez s PHE 87 N 0.60 3.22 -0.23 0.29 0.40 -0.71 -4.92 117.98 116.63 1wez s PHE 87 Ca -0.09 -2.03 -0.29 0.00 -0.60 0.00 0.00 56.93 53.93 1wez s PHE 87 Cb -0.12 -2.02 -0.03 0.00 0.51 0.00 0.00 43.02 41.37 1wez s PHE 87 CO 0.01 -0.83 1.70 -1.17 0.70 0.00 0.00 175.22 175.62 1wez s LEU 88 N 1.20 3.82 -0.28 -0.37 2.96 -1.26 -2.07 118.68 122.68 1wez s LEU 88 Ca -0.06 1.62 0.00 0.00 -0.22 0.00 0.00 54.13 55.47 1wez s LEU 88 Cb -0.19 -3.53 0.08 0.00 0.50 0.00 0.00 46.19 43.05 1wez s LEU 88 CO -0.04 -1.37 0.05 0.20 -1.32 0.00 0.00 176.35 173.87 1wez s ASN 89 N 4.80 3.94 0.21 3.68 0.01 -0.32 -5.02 114.94 122.25 1wez s ASN 89 Ca 0.75 -1.49 -0.05 0.00 -0.71 0.00 0.00 52.86 51.36 1wez s ASN 89 Cb -0.26 -1.02 -0.03 0.00 0.41 0.00 0.00 41.25 40.36 1wez s ASN 89 CO 0.31 -0.35 0.24 -0.55 -1.51 0.00 0.00 177.10 175.24 1wez s SER 90 N 1.49 0.08 -0.18 -1.22 0.15 -1.25 0.19 113.70 112.96 1wez s SER 90 Ca 0.05 -1.23 0.10 0.00 0.70 0.00 0.00 55.95 55.57 1wez s SER 90 Cb -0.18 0.44 -0.18 0.00 -1.71 0.00 0.00 66.02 64.39 1wez s SER 90 CO -0.16 -0.93 -0.03 0.41 1.20 0.00 0.00 173.24 173.74 1wez n THR 91 N -0.29 1.19 -1.58 6.45 -1.04 -1.25 -4.92 114.28 112.84 1wez n THR 91 Ca 0.00 -0.63 0.03 0.00 -2.04 0.00 0.00 64.05 61.41 1wez n THR 91 Cb 0.65 -0.80 -0.02 0.00 -1.82 0.00 0.00 70.33 68.34 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 -2.80 -2.28 -3.46 2.41 0.00 -1.26 -5.03 120.51 108.07 1wez n ALA 92 Ca -0.31 0.57 0.01 0.00 0.00 0.00 0.00 53.44 53.71 1wez n ALA 92 Cb 1.00 -1.51 -0.04 0.00 0.00 0.00 0.00 19.45 18.91 1wez n ALA 92 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1wez s GLY 93 N -5.74 -0.42 0.19 0.00 0.00 -1.26 -5.16 107.32 94.92 1wez s GLY 93 Ca 0.00 2.74 0.02 0.00 0.00 0.00 0.00 44.72 47.47 1wez s GLY 93 CO 0.00 3.21 0.02 -0.51 0.00 0.00 0.00 173.10 175.82 1wez s THR 94 N 2.65 0.63 -0.29 0.90 -4.23 -1.26 -5.16 115.64 108.88 1wez s THR 94 Ca -0.03 -1.98 -0.16 0.00 -1.18 0.00 0.00 61.69 58.34 1wez s THR 94 Cb -0.09 -2.22 0.16 0.00 1.34 0.00 0.00 72.50 71.69 1wez s THR 94 CO -0.18 -0.38 1.03 -0.94 -0.54 0.00 0.00 174.62 173.62 1wez s SER 95 N -3.20 -0.42 0.00 3.99 1.04 -1.26 -5.14 113.70 108.72 1wez s SER 95 Ca 0.27 0.66 0.00 0.00 0.48 0.00 0.00 55.95 57.36 1wez s SER 95 Cb 0.06 1.18 0.00 0.00 0.10 0.00 0.00 66.02 67.37 1wez s SER 95 CO 0.06 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.78 1wez n GLY 96 N 3.62 0.99 1.02 7.32 0.00 -1.26 -5.17 105.19 111.70 1wez n GLY 96 Ca -0.18 0.38 0.02 0.00 0.00 0.00 0.00 46.02 46.24 1wez n GLY 96 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wez n SER 97 N 0.00 -5.49 -3.14 1.61 2.88 -1.26 -5.10 113.62 103.12 1wez n SER 97 Ca 0.00 1.18 -0.05 0.00 -1.33 0.00 0.00 58.87 58.67 1wez n SER 97 Cb 0.00 -3.06 0.02 0.00 -0.75 0.00 0.00 64.21 60.42 1wez n SER 97 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wez s GLY 98 N -4.91 0.25 1.06 0.46 0.00 -1.26 -5.18 107.32 97.73 1wez s GLY 98 Ca 0.00 -0.54 -0.17 0.00 0.00 0.00 0.00 44.72 44.01 1wez s GLY 98 CO 0.00 1.54 1.21 2.56 0.00 0.00 0.00 173.10 178.41 1wez s PRO 99 N -2.11 -0.08 0.01 2.90 0.04 -1.26 -5.01 135.00 129.49 1wez s PRO 99 Ca 0.20 -0.17 -0.25 0.00 0.04 0.00 0.00 61.00 60.83 1wez s PRO 99 Cb -0.04 -1.74 -0.14 0.00 0.04 0.00 0.00 34.50 32.63 1wez s PRO 99 CO 0.08 -2.93 1.07 0.77 0.04 0.00 0.00 177.00 176.02 1wez h SER 100 N -2.02 -0.75 -5.75 6.66 0.02 -2.09 -3.48 113.55 106.14 1wez h SER 100 Ca -0.45 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1wez h SER 100 Cb 1.27 0.19 0.00 0.00 0.14 0.00 0.00 62.40 64.01 1wez h SER 100 CO 0.40 -0.40 -1.00 -0.24 -1.14 0.00 0.00 176.83 174.45 1wez n SER 101 N -5.13 -7.31 0.00 3.07 2.88 -1.26 -5.32 113.62 100.54 1wez n SER 101 Ca -0.11 0.92 0.00 0.00 -1.33 0.00 0.00 58.87 58.35 1wez n SER 101 Cb 0.35 -3.48 0.00 0.00 -0.75 0.00 0.00 64.21 60.33 1wez n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42