#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wez n SER 2 N 0.00 -8.01 -4.41 1.61 2.88 -1.26 -4.92 113.62 99.51 1wez n SER 2 Ca 0.00 1.55 -0.32 0.00 -1.33 0.00 0.00 58.87 58.77 1wez n SER 2 Cb 0.00 -5.06 -0.14 0.00 -0.75 0.00 0.00 64.21 58.26 1wez n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wez s SER 3 N -7.04 3.75 0.00 -3.46 0.01 -1.26 -5.03 113.70 100.67 1wez s SER 3 Ca 0.00 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 56.96 1wez s SER 3 Cb 0.00 -0.85 0.00 0.00 0.21 0.00 0.00 66.02 65.38 1wez s SER 3 CO 0.00 0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.57 1wez n GLY 4 N 2.55 -1.16 2.13 3.44 0.00 -1.26 -4.95 105.19 105.94 1wez n GLY 4 Ca -0.17 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1wez n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wez n SER 5 N 0.27 -2.31 -3.74 1.61 2.88 -1.26 -5.14 113.62 105.93 1wez n SER 5 Ca 0.00 0.61 -0.13 0.00 -1.33 0.00 0.00 58.87 58.02 1wez n SER 5 Cb 0.00 2.28 -0.09 0.00 -0.75 0.00 0.00 64.21 65.64 1wez n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wez s SER 6 N -3.00 -0.34 0.27 -3.46 0.15 -1.26 -5.17 113.70 100.89 1wez s SER 6 Ca 0.00 0.52 0.06 0.00 0.70 0.00 0.00 55.95 57.23 1wez s SER 6 Cb 0.00 0.60 -0.06 0.00 -1.71 0.00 0.00 66.02 64.86 1wez s SER 6 CO 0.00 -0.27 -0.05 -0.83 1.20 0.00 0.00 173.24 173.29 1wez s GLY 7 N -0.43 1.79 0.00 9.45 0.00 -1.26 -5.03 107.32 111.83 1wez s GLY 7 Ca -0.06 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 42.78 1wez s GLY 7 CO 0.02 -1.81 0.00 1.44 0.00 0.00 0.00 173.10 172.75 1wez n SER 8 N -0.56 0.00 0.00 1.64 7.64 -1.26 -5.08 113.62 116.00 1wez n SER 8 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1wez n SER 8 Cb 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 1wez n SER 8 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wez n SER 9 N 0.00 0.19 0.05 6.43 2.88 -1.26 -4.83 113.62 117.08 1wez n SER 9 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1wez n SER 9 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1wez n SER 9 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1wez h PHE 10 N 0.00 -0.44 0.00 0.66 3.57 -2.02 -3.45 116.94 115.27 1wez h PHE 10 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1wez h PHE 10 Cb 0.16 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.09 1wez h PHE 10 CO 0.00 -0.25 0.00 1.04 -2.23 0.00 0.00 178.31 176.87 1wez n GLN 11 N -5.30 0.00 0.00 1.11 6.02 -1.26 -4.67 117.38 113.28 1wez n GLN 11 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1wez n GLN 11 Cb 0.22 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.48 1wez n GLN 11 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1wez n SER 12 N 2.37 0.00 -4.48 1.08 7.64 -1.26 -4.94 113.62 114.04 1wez n SER 12 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 1wez n SER 12 Cb 0.00 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.34 1wez n SER 12 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1wez s THR 13 N -0.05 2.08 0.00 0.44 -4.23 -1.26 -4.71 115.64 107.91 1wez s THR 13 Ca 0.00 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 1wez s THR 13 Cb 0.00 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.93 1wez s THR 13 CO 0.00 0.00 0.00 0.35 -0.54 0.00 0.00 174.62 174.43 1wez n THR 14 N -3.37 -1.53 0.31 3.99 -2.24 -1.26 -4.75 114.28 105.42 1wez n THR 14 Ca 0.13 0.27 0.20 0.00 -2.27 0.00 0.00 64.05 62.38 1wez n THR 14 Cb 0.60 -2.74 0.97 0.00 -2.10 0.00 0.00 70.33 67.06 1wez n THR 14 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1wez h GLY 15 N 4.22 0.00 -6.75 3.38 0.00 -1.87 -3.40 103.07 98.65 1wez h GLY 15 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 1wez h GLY 15 CO 0.00 0.00 0.58 0.30 0.00 0.00 0.00 176.54 177.42 1wez s HIS 16 N -3.98 2.97 0.05 5.60 3.76 -1.26 -3.72 115.29 118.72 1wez s HIS 16 Ca -0.02 0.49 -0.04 0.00 -0.15 0.00 0.00 55.06 55.34 1wez s HIS 16 Cb 0.12 -3.86 -0.02 0.00 1.11 0.00 0.00 32.58 29.93 1wez s HIS 16 CO 0.48 -1.01 0.06 0.00 -0.85 0.00 0.00 174.74 173.42 1wez s VAL 18 N -3.31 1.19 0.48 0.00 1.01 0.21 -0.37 120.40 119.60 1wez s VAL 18 Ca 0.01 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 1wez s VAL 18 Cb 0.03 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 1wez s VAL 18 CO -0.08 0.38 0.84 -2.28 0.00 0.00 0.00 175.10 173.96 1wez s HIS 19 N 1.64 3.54 -0.00 5.22 2.46 -0.76 0.75 115.29 128.14 1wez s HIS 19 Ca 0.05 1.01 0.03 0.00 0.47 0.00 0.00 55.06 56.62 1wez s HIS 19 Cb -0.13 -2.45 -0.01 0.00 -0.13 0.00 0.00 32.58 29.86 1wez s HIS 19 CO -0.09 -0.30 -0.10 -1.64 -2.47 0.00 0.00 174.74 170.14 1wez s MET 20 N -4.49 0.79 0.01 2.88 -1.94 0.53 -1.99 119.30 115.09 1wez s MET 20 Ca 0.51 -0.38 -0.12 0.00 -1.71 0.00 0.00 55.69 53.98 1wez s MET 20 Cb -0.10 -0.76 0.02 0.00 2.01 0.00 0.00 34.83 36.00 1wez s MET 20 CO 0.41 0.21 0.26 1.03 -0.01 0.00 0.00 175.02 176.92 1wez s ARG 21 N -0.32 0.66 -0.94 2.03 0.52 -0.87 -1.50 118.95 118.53 1wez s ARG 21 Ca 0.03 -0.34 -0.04 0.00 -0.52 0.00 0.00 55.73 54.86 1wez s ARG 21 Cb -0.04 0.28 -0.05 0.00 0.52 0.00 0.00 34.95 35.66 1wez s ARG 21 CO -0.00 -0.18 0.81 0.41 0.02 0.00 0.00 175.30 176.36 1wez n GLY 22 N 1.13 -0.80 3.97 -3.53 0.00 0.04 0.43 105.19 106.43 1wez n GLY 22 Ca -0.21 0.41 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 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 -5.20 4.13 0.73 0.99 1.43 0.40 -3.30 118.68 117.87 1wez s LEU 23 Ca 0.34 0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.43 1wez s LEU 23 Cb -0.04 -2.94 0.03 0.00 0.03 0.00 0.00 46.19 43.26 1wez s LEU 23 CO 0.64 -0.24 1.07 -2.16 0.23 0.00 0.00 176.35 175.89 1wez s PRO 24 N -4.13 2.66 0.39 1.29 0.04 -1.26 -4.56 135.00 129.43 1wez s PRO 24 Ca 0.39 0.85 0.28 0.00 0.04 0.00 0.00 61.00 62.56 1wez s PRO 24 Cb -0.09 -1.97 1.10 0.00 0.04 0.00 0.00 34.50 33.58 1wez s PRO 24 CO 0.31 -1.27 1.83 -0.92 0.04 0.00 0.00 177.00 176.99 1wez h TYR 25 N -0.84 0.00 -1.02 0.56 3.20 -1.99 -2.92 116.97 113.97 1wez h TYR 25 Ca -0.45 0.00 -0.61 0.00 3.14 0.00 0.00 58.73 60.81 1wez h TYR 25 Cb 1.23 0.00 -0.37 0.00 1.54 0.00 0.00 36.73 39.13 1wez h TYR 25 CO 0.57 0.00 -0.14 0.54 -1.64 0.00 0.00 178.16 177.49 1wez n ARG 26 N -2.65 3.24 -4.06 1.82 5.12 -1.26 -4.98 116.66 113.89 1wez n ARG 26 Ca 0.02 -3.89 -0.35 0.00 -1.93 0.00 0.00 57.85 51.70 1wez n ARG 26 Cb 0.29 -2.28 -0.12 0.00 -1.16 0.00 0.00 32.46 29.19 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 -3.70 3.11 0.32 7.54 0.00 -1.10 -5.04 121.76 122.88 1wez s ALA 27 Ca 0.55 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.59 1wez s ALA 27 Cb 0.44 -1.81 -0.05 0.00 0.00 0.00 0.00 23.12 21.69 1wez s ALA 27 CO -0.04 -0.10 0.08 -0.08 0.00 0.00 0.00 175.76 175.62 1wez s THR 28 N 0.91 0.93 0.14 0.00 -1.32 -1.26 -4.99 115.64 110.06 1wez s THR 28 Ca 0.02 -2.00 -0.20 0.00 -1.21 0.00 0.00 61.69 58.30 1wez s THR 28 Cb -0.14 -2.69 0.02 0.00 -1.51 0.00 0.00 72.50 68.18 1wez s THR 28 CO 0.02 0.00 1.68 -0.33 -2.21 0.00 0.00 174.62 173.78 1wez h GLU 29 N 2.14 -0.05 -1.03 7.08 5.08 -1.97 0.45 114.58 126.27 1wez h GLU 29 Ca -0.39 0.00 0.26 0.00 -1.00 0.00 0.00 59.36 58.23 1wez h GLU 29 Cb 1.25 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.42 1wez h GLU 29 CO 0.65 -0.04 0.67 -0.91 -1.00 0.00 0.00 179.01 178.39 1wez h ASN 30 N -0.06 0.43 0.12 1.42 4.21 -1.99 0.70 115.58 120.43 1wez h ASN 30 Ca 0.13 0.08 -0.01 0.00 1.21 0.00 0.00 56.30 57.71 1wez h ASN 30 Cb 0.25 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.46 1wez h ASN 30 CO -0.29 0.09 -0.06 0.44 -1.29 0.00 0.00 177.43 176.32 1wez h ASP 31 N 0.39 -0.14 -1.06 5.81 3.32 -1.26 -2.73 116.42 120.75 1wez h ASP 31 Ca 0.58 -0.31 0.30 0.00 0.02 0.00 0.00 57.03 57.63 1wez h ASP 31 Cb 1.50 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 41.04 1wez h ASP 31 CO -0.28 0.46 0.76 0.40 -1.72 0.00 0.00 179.24 178.85 1wez h ILE 32 N -0.97 0.47 -0.15 0.35 2.04 0.12 1.11 117.51 120.49 1wez h ILE 32 Ca -0.02 -0.01 -0.07 0.00 1.00 0.00 0.00 64.86 65.76 1wez h ILE 32 Cb 0.44 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1wez h ILE 32 CO 0.03 0.01 -0.17 1.88 0.00 0.00 0.00 178.15 179.89 1wez h TYR 33 N 0.04 0.46 -0.21 1.37 0.05 0.36 -1.71 116.97 117.33 1wez h TYR 33 Ca 0.51 -0.15 -0.21 0.00 0.05 0.00 0.00 58.73 58.94 1wez h TYR 33 Cb 1.98 -0.09 0.01 0.00 1.01 0.00 0.00 36.73 39.63 1wez h TYR 33 CO -0.00 0.79 -0.68 -0.97 -1.05 0.00 0.00 178.16 176.25 1wez h ASN 34 N 0.01 0.95 0.28 3.88 -0.73 0.07 -2.13 115.58 117.91 1wez h ASN 34 Ca 0.02 -0.57 0.00 0.00 1.87 0.00 0.00 56.30 57.62 1wez h ASN 34 Cb 0.72 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 39.01 1wez h ASN 34 CO 0.04 1.37 -0.33 0.15 -0.37 0.00 0.00 177.43 178.29 1wez h PHE 35 N 0.59 -0.90 0.00 0.67 3.57 1.00 -0.91 116.94 120.96 1wez h PHE 35 Ca -0.02 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1wez h PHE 35 Cb 1.30 0.36 0.00 0.00 2.79 0.00 0.00 35.95 40.40 1wez h PHE 35 CO 0.08 -0.46 0.00 0.74 -2.23 0.00 0.00 178.31 176.44 1wez h PHE 36 N -0.66 0.00 -4.18 0.41 0.04 -1.36 -3.44 116.94 107.75 1wez h PHE 36 Ca -0.01 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.24 1wez h PHE 36 Cb 0.62 0.00 0.13 0.00 2.20 0.00 0.00 35.95 38.90 1wez h PHE 36 CO -0.22 0.00 0.39 0.45 -0.60 0.00 0.00 178.31 178.33 1wez s SER 37 N -4.74 4.63 -0.19 2.17 0.15 -0.35 -3.65 113.70 111.71 1wez s SER 37 Ca 0.01 2.21 -0.29 0.00 0.70 0.00 0.00 55.95 58.58 1wez s SER 37 Cb 0.09 -2.57 -0.01 0.00 -1.71 0.00 0.00 66.02 61.81 1wez s SER 37 CO 0.40 -1.96 1.29 -2.16 1.20 0.00 0.00 173.24 172.01 1wez s PRO 38 N -3.94 4.14 0.21 5.44 0.04 -1.26 -4.98 135.00 134.65 1wez s PRO 38 Ca 0.72 1.58 -0.22 0.00 0.04 0.00 0.00 61.00 63.12 1wez s PRO 38 Cb -0.26 -3.81 0.07 0.00 0.04 0.00 0.00 34.50 30.54 1wez s PRO 38 CO 0.43 -0.82 0.97 -0.51 0.04 0.00 0.00 177.00 177.10 1wez s LEU 39 N 3.77 -0.07 -0.34 -3.56 1.43 -1.24 -5.03 118.68 113.64 1wez s LEU 39 Ca 0.56 -0.65 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1wez s LEU 39 Cb -0.21 2.24 0.13 0.00 0.03 0.00 0.00 46.19 48.38 1wez s LEU 39 CO 0.17 -1.07 0.19 0.20 0.23 0.00 0.00 176.35 176.07 1wez s ASN 40 N -3.18 3.22 -0.14 2.29 -0.87 -1.26 -5.03 114.94 109.96 1wez s ASN 40 Ca 0.17 -2.01 -0.29 0.00 -1.57 0.00 0.00 52.86 49.16 1wez s ASN 40 Cb -0.03 -0.48 -0.02 0.00 -0.02 0.00 0.00 41.25 40.71 1wez s ASN 40 CO 0.05 -0.34 1.27 -2.16 -2.57 0.00 0.00 177.10 173.35 1wez s PRO 41 N 1.25 4.25 0.29 -0.60 0.04 -1.26 -4.76 135.00 134.20 1wez s PRO 41 Ca 0.16 1.68 0.03 0.00 0.04 0.00 0.00 61.00 62.91 1wez s PRO 41 Cb -0.21 -3.74 0.69 0.00 0.04 0.00 0.00 34.50 31.28 1wez s PRO 41 CO -0.09 -0.67 1.70 0.52 0.04 0.00 0.00 177.00 178.51 1wez h MET 42 N 8.12 0.40 -1.86 4.56 2.86 0.17 -3.42 114.93 125.76 1wez h MET 42 Ca -0.28 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.36 1wez h MET 42 Cb 1.12 -0.09 -0.23 0.00 0.06 0.00 0.00 31.60 32.46 1wez h MET 42 CO 0.95 0.26 0.18 1.03 1.06 0.00 0.00 176.91 180.40 1wez s ARG 43 N -5.90 0.66 -0.21 1.72 0.52 -1.25 -4.98 118.95 109.51 1wez s ARG 43 Ca -0.12 0.97 -0.02 0.00 -0.52 0.00 0.00 55.73 56.04 1wez s ARG 43 Cb 0.25 0.23 0.00 0.00 0.52 0.00 0.00 34.95 35.95 1wez s ARG 43 CO 0.78 -0.11 -0.09 0.08 0.02 0.00 0.00 175.30 175.97 1wez s VAL 44 N 0.99 2.91 -0.14 3.52 1.01 -1.26 -2.74 120.40 124.70 1wez s VAL 44 Ca -0.05 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 1wez s VAL 44 Cb -0.05 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1wez s VAL 44 CO -0.11 0.44 -0.04 -2.28 0.00 0.00 0.00 175.10 173.11 1wez s HIS 45 N 1.41 3.01 -0.56 5.22 5.04 -0.19 -4.97 115.29 124.24 1wez s HIS 45 Ca 0.05 -0.25 -0.18 0.00 -1.54 0.00 0.00 55.06 53.15 1wez s HIS 45 Cb -0.14 -1.91 0.11 0.00 0.04 0.00 0.00 32.58 30.68 1wez s HIS 45 CO -0.06 0.03 0.61 0.42 -2.34 0.00 0.00 174.74 173.40 1wez s ILE 46 N 0.13 4.98 -0.03 0.89 -1.09 -1.26 -1.34 121.20 123.48 1wez s ILE 46 Ca -0.02 -1.13 -0.30 0.00 -2.23 0.00 0.00 60.65 56.98 1wez s ILE 46 Cb -0.14 -4.40 -0.06 0.00 -1.58 0.00 0.00 42.46 36.28 1wez s ILE 46 CO 0.03 -0.99 1.67 -0.70 -1.23 0.00 0.00 174.94 173.72 1wez s GLU 47 N 2.26 4.18 -0.08 2.79 2.12 -0.88 -4.99 118.70 124.11 1wez s GLU 47 Ca 0.08 2.23 -0.04 0.00 0.36 0.00 0.00 54.97 57.60 1wez s GLU 47 Cb -0.26 -3.94 -0.04 0.00 0.26 0.00 0.00 34.13 30.15 1wez s GLU 47 CO 0.06 -0.83 0.12 0.42 -0.54 0.00 0.00 175.26 174.49 1wez s ILE 48 N 3.85 5.23 0.00 -3.70 -1.09 -1.26 -3.26 121.20 120.97 1wez s ILE 48 Ca 0.74 -0.01 0.00 0.00 -2.23 0.00 0.00 60.65 59.15 1wez s ILE 48 Cb -0.35 -3.32 0.00 0.00 -1.58 0.00 0.00 42.46 37.21 1wez s ILE 48 CO 0.31 0.52 0.00 0.61 -1.23 0.00 0.00 174.94 175.14 1wez n GLY 49 N 1.66 -0.25 2.20 6.18 0.00 0.52 -4.20 105.19 111.30 1wez n GLY 49 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 1.79 -3.90 1.61 -0.04 -1.24 -4.60 135.00 128.62 1wez n PRO 50 Ca 0.00 -0.98 -0.32 0.00 -0.04 0.00 0.00 63.50 62.16 1wez n PRO 50 Cb 0.00 -2.04 -0.06 0.00 -0.04 0.00 0.00 33.50 31.36 1wez n PRO 50 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wez n ASP 51 N 2.91 -1.50 0.07 3.54 2.03 -1.26 -4.22 116.55 118.13 1wez n ASP 51 Ca 0.38 -0.88 0.00 0.00 0.52 0.00 0.00 54.79 54.81 1wez n ASP 51 Cb 0.58 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.65 1wez n ASP 51 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wez n GLY 52 N -0.91 -1.06 3.88 0.27 0.00 -1.26 -5.12 105.19 100.99 1wez n GLY 52 Ca 0.09 0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 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 3.29 0.66 1.61 0.52 -1.26 -4.92 118.95 116.84 1wez s ARG 53 Ca 0.00 -0.50 -0.15 0.00 -0.52 0.00 0.00 55.73 54.56 1wez s ARG 53 Cb 0.00 -2.96 0.00 0.00 0.52 0.00 0.00 34.95 32.51 1wez s ARG 53 CO 0.00 0.60 1.13 0.14 0.02 0.00 0.00 175.30 177.19 1wez s VAL 54 N -1.46 3.08 -0.06 3.52 -7.23 -1.26 0.19 120.40 117.18 1wez s VAL 54 Ca 0.33 0.52 0.09 0.00 -1.81 0.00 0.00 61.98 61.11 1wez s VAL 54 Cb -0.13 -3.06 -0.13 0.00 0.56 0.00 0.00 36.38 33.63 1wez s VAL 54 CO 0.25 -0.29 0.21 1.07 -0.31 0.00 0.00 175.10 176.03 1wez n THR 55 N -2.35 0.00 0.00 5.32 5.66 -1.20 -4.36 114.28 117.35 1wez n THR 55 Ca 0.11 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 1wez n THR 55 Cb 0.52 0.40 0.00 0.00 -1.55 0.00 0.00 70.33 69.70 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 1.90 1.07 3.66 1.09 0.00 -1.26 -4.71 105.19 106.93 1wez n GLY 56 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.55 2.37 -0.03 1.61 2.02 -1.26 -0.45 118.70 122.41 1wez s GLU 57 Ca 0.00 -1.18 -0.28 0.00 0.02 0.00 0.00 54.97 53.54 1wez s GLU 57 Cb 0.00 -2.31 0.06 0.00 0.10 0.00 0.00 34.13 31.98 1wez s GLU 57 CO 0.00 0.43 0.61 0.00 0.02 0.00 0.00 175.26 176.33 1wez s ALA 58 N -1.85 -1.59 -0.09 5.21 0.00 -0.56 -2.08 121.76 120.79 1wez s ALA 58 Ca 0.28 1.11 0.04 0.00 0.00 0.00 0.00 51.96 53.38 1wez s ALA 58 Cb -0.09 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 1wez s ALA 58 CO 0.19 -0.37 -0.22 -0.51 0.00 0.00 0.00 175.76 174.85 1wez s ASP 59 N -1.29 3.31 0.23 0.00 1.11 -0.45 0.20 116.67 119.78 1wez s ASP 59 Ca -0.11 -0.49 0.11 0.00 0.18 0.00 0.00 52.55 52.25 1wez s ASP 59 Cb -0.01 -1.29 -0.05 0.00 1.07 0.00 0.00 42.92 42.64 1wez s ASP 59 CO 0.08 0.19 -0.22 -0.69 1.18 0.00 0.00 175.17 175.71 1wez s VAL 60 N 0.18 2.36 -0.01 -1.27 1.01 0.23 -1.02 120.40 121.87 1wez s VAL 60 Ca -0.13 -2.20 0.00 0.00 0.00 0.00 0.00 61.98 59.66 1wez s VAL 60 Cb -0.16 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.04 1wez s VAL 60 CO 0.07 -0.27 0.00 -0.70 0.00 0.00 0.00 175.10 174.20 1wez s GLU 61 N -3.08 0.07 -0.02 2.72 -6.30 -1.11 -0.62 118.70 110.37 1wez s GLU 61 Ca 0.25 0.04 0.04 0.00 -2.50 0.00 0.00 54.97 52.79 1wez s GLU 61 Cb -0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 34.13 33.90 1wez s GLU 61 CO 0.12 -0.05 -0.15 -0.06 0.02 0.00 0.00 175.26 175.15 1wez s PHE 62 N 0.38 1.37 0.11 5.30 0.08 -0.53 0.19 117.98 124.89 1wez s PHE 62 Ca -0.03 -0.31 -0.28 0.00 0.12 0.00 0.00 56.93 56.43 1wez s PHE 62 Cb -0.05 -0.91 -0.09 0.00 -0.57 0.00 0.00 43.02 41.40 1wez s PHE 62 CO -0.01 -0.07 1.62 0.00 -0.10 0.00 0.00 175.22 176.66 1wez h ALA 63 N 5.99 -0.53 -5.17 5.36 0.00 -1.86 -3.39 119.26 119.66 1wez h ALA 63 Ca -0.34 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.26 1wez h ALA 63 Cb 1.16 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1wez h ALA 63 CO 0.48 -0.85 -0.07 0.25 0.00 0.00 0.00 179.25 179.07 1wez n THR 64 N -5.41 0.00 0.05 0.00 -2.24 -1.26 -4.82 114.28 100.60 1wez n THR 64 Ca -0.07 -1.00 -0.22 0.00 -2.27 0.00 0.00 64.05 60.49 1wez n THR 64 Cb 0.32 -0.61 -0.15 0.00 -2.10 0.00 0.00 70.33 67.80 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 0.21 0.64 -0.49 4.78 2.76 -1.96 -3.36 115.15 117.73 1wez h HIS 65 Ca -0.15 -0.46 0.10 0.00 -2.20 0.00 0.00 60.37 57.66 1wez h HIS 65 Cb 0.62 -0.03 -0.10 0.00 1.55 0.00 0.00 27.41 29.45 1wez h HIS 65 CO 0.00 1.70 -0.28 0.93 -1.30 0.00 0.00 177.93 178.98 1wez h GLU 66 N 0.10 -0.16 -0.13 5.26 3.07 -1.97 1.47 114.58 122.21 1wez h GLU 66 Ca -0.37 0.01 0.04 0.00 -0.50 0.00 0.00 59.36 58.54 1wez h GLU 66 Cb 2.08 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 30.02 1wez h GLU 66 CO 0.15 -0.10 0.30 -0.44 -1.40 0.00 0.00 179.01 177.52 1wez h ASP 67 N -0.16 0.00 0.00 1.42 5.19 -1.97 0.85 116.42 121.75 1wez h ASP 67 Ca 0.22 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.62 1wez h ASP 67 Cb 0.51 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.02 1wez h ASP 67 CO -0.59 0.00 -0.07 0.00 -3.12 0.00 0.00 179.24 175.46 1wez h ALA 68 N 1.51 0.00 -0.24 3.45 0.00 0.17 -3.06 119.26 121.10 1wez h ALA 68 Ca 0.06 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1wez h ALA 68 Cb 0.67 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1wez h ALA 68 CO -0.00 0.06 0.17 0.28 0.00 0.00 0.00 179.25 179.76 1wez h VAL 69 N -1.00 0.90 -0.08 0.00 2.07 0.36 0.32 116.25 118.81 1wez h VAL 69 Ca -0.01 -0.01 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 1wez h VAL 69 Cb 0.21 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1wez h VAL 69 CO -0.00 0.01 -0.26 0.00 0.02 0.00 0.00 177.57 177.33 1wez h ALA 70 N 1.88 1.41 -0.28 1.67 0.00 0.58 -2.23 119.26 122.29 1wez h ALA 70 Ca 0.11 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 1wez h ALA 70 Cb 0.41 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1wez h ALA 70 CO -0.01 0.42 -0.44 0.00 0.00 0.00 0.00 179.25 179.22 1wez h ALA 71 N 1.61 0.69 0.00 0.00 0.00 -0.27 -2.64 119.26 118.64 1wez h ALA 71 Ca 0.02 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1wez h ALA 71 Cb 0.54 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1wez h ALA 71 CO 0.04 0.67 0.37 0.52 0.00 0.00 0.00 179.25 180.85 1wez h MET 72 N 0.58 0.00 -0.64 0.00 2.86 -0.95 0.40 114.93 117.18 1wez h MET 72 Ca 0.04 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 1wez h MET 72 Cb 0.99 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.62 1wez h MET 72 CO 0.09 0.00 0.25 0.00 1.06 0.00 0.00 176.91 178.32 1wez h ALA 73 N 1.24 1.24 -0.63 6.32 0.00 -1.52 -1.41 119.26 124.51 1wez h ALA 73 Ca 0.00 -0.17 -0.38 0.00 0.00 0.00 0.00 54.91 54.36 1wez h ALA 73 Cb 0.74 -0.26 -0.19 0.00 0.00 0.00 0.00 17.79 18.08 1wez h ALA 73 CO 0.00 0.56 0.49 1.63 0.00 0.00 0.00 179.25 181.93 1wez n LYS 74 N -4.31 1.94 -3.12 0.00 4.76 0.14 -4.86 118.16 112.71 1wez n LYS 74 Ca 0.06 -1.98 -0.39 0.00 -2.87 0.00 0.00 58.31 53.13 1wez n LYS 74 Cb 0.17 -1.78 -0.06 0.00 -1.84 0.00 0.00 35.03 31.53 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 -0.42 7.21 0.00 4.39 -4.77 -0.53 -4.22 116.67 118.32 1wez s ASP 75 Ca 0.38 1.46 0.00 0.00 -3.30 0.00 0.00 52.55 51.09 1wez s ASP 75 Cb 0.31 -2.43 0.00 0.00 -1.09 0.00 0.00 42.92 39.71 1wez s ASP 75 CO 0.03 0.21 0.00 0.29 0.70 0.00 0.00 175.17 176.39 1wez n LYS 76 N 1.50 0.00 -0.88 2.11 5.02 -0.78 -4.88 118.16 120.25 1wez n LYS 76 Ca -0.07 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.88 1wez n LYS 76 Cb 0.50 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.46 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 -1.40 -1.86 7.82 0.00 -1.26 -2.69 120.51 121.13 1wez n ALA 77 Ca 0.00 0.29 -0.34 0.00 0.00 0.00 0.00 53.44 53.40 1wez n ALA 77 Cb 0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.42 1wez n ALA 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wez s ASN 78 N 0.87 4.87 0.34 0.00 2.20 -1.26 -3.90 114.94 118.06 1wez s ASN 78 Ca 0.53 0.37 0.14 0.00 -0.94 0.00 0.00 52.86 52.96 1wez s ASN 78 Cb -0.75 -2.53 1.10 0.00 -2.00 0.00 0.00 41.25 37.08 1wez s ASN 78 CO 0.38 -2.73 1.53 0.80 -2.94 0.00 0.00 177.10 174.14 1wez n MET 79 N 9.05 -0.07 0.00 3.55 0.00 -1.17 -4.36 117.12 124.13 1wez n MET 79 Ca 0.31 1.38 0.00 0.00 -0.00 0.00 0.00 57.70 59.39 1wez n MET 79 Cb 0.51 -2.38 0.00 0.00 0.00 0.00 0.00 33.22 31.36 1wez n MET 79 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1wez n GLN 80 N -5.29 0.00 -0.04 2.12 6.02 -1.26 -4.99 117.38 113.95 1wez n GLN 80 Ca 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 1wez n GLN 80 Cb 1.07 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.33 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 -1.42 0.00 -4.28 1.08 1.44 -1.26 -5.07 115.22 105.72 1wez n HIS 81 Ca 0.00 -0.07 -0.17 0.00 -2.01 0.00 0.00 57.72 55.47 1wez n HIS 81 Cb 0.00 -0.01 -0.14 0.00 0.12 0.00 0.00 29.99 29.96 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 -0.14 0.70 -0.47 -1.40 1.81 -1.26 -5.07 118.95 113.12 1wez s ARG 82 Ca 0.00 -0.48 -0.28 0.00 -1.72 0.00 0.00 55.73 53.25 1wez s ARG 82 Cb 0.00 -0.64 0.00 0.00 -0.45 0.00 0.00 34.95 33.86 1wez s ARG 82 CO 0.00 0.16 1.52 0.71 -0.68 0.00 0.00 175.30 177.02 1wez s TYR 83 N -0.56 2.19 0.42 -0.53 2.02 -1.26 -3.03 117.35 116.59 1wez s TYR 83 Ca 0.00 0.61 -0.06 0.00 -0.37 0.00 0.00 57.07 57.26 1wez s TYR 83 Cb -0.05 -4.29 -0.05 0.00 -0.40 0.00 0.00 41.96 37.17 1wez s TYR 83 CO 0.00 -2.18 0.72 0.08 -1.57 0.00 0.00 175.55 172.60 1wez s VAL 84 N 6.25 4.92 -0.05 0.71 1.01 -1.09 -4.66 120.40 127.48 1wez s VAL 84 Ca 0.62 0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.87 1wez s VAL 84 Cb -0.14 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1wez s VAL 84 CO 0.29 -0.65 -0.24 -1.61 0.00 0.00 0.00 175.10 172.89 1wez s GLU 85 N -4.28 2.46 -0.06 2.72 0.41 0.17 -1.87 118.70 118.25 1wez s GLU 85 Ca 0.47 -0.89 0.05 0.00 -0.41 0.00 0.00 54.97 54.20 1wez s GLU 85 Cb -0.10 -2.17 -0.01 0.00 -1.78 0.00 0.00 34.13 30.07 1wez s GLU 85 CO 0.38 0.44 -0.22 -0.51 -0.49 0.00 0.00 175.26 174.86 1wez s LEU 86 N -0.31 2.01 -0.23 1.80 1.43 -1.26 -2.04 118.68 120.08 1wez s LEU 86 Ca 0.01 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1wez s LEU 86 Cb -0.13 -1.24 0.06 0.00 0.03 0.00 0.00 46.19 44.91 1wez s LEU 86 CO 0.02 0.20 -0.07 -0.36 0.23 0.00 0.00 176.35 176.37 1wez s PHE 87 N -0.03 2.49 -0.44 0.29 0.08 -0.84 -4.94 117.98 114.60 1wez s PHE 87 Ca -0.06 -1.77 -0.29 0.00 0.12 0.00 0.00 56.93 54.93 1wez s PHE 87 Cb -0.14 -1.63 0.01 0.00 -0.57 0.00 0.00 43.02 40.70 1wez s PHE 87 CO 0.04 -0.78 1.35 -1.17 -0.10 0.00 0.00 175.22 174.56 1wez s LEU 88 N 1.36 3.58 -0.28 -0.37 2.96 -1.26 -1.83 118.68 122.83 1wez s LEU 88 Ca -0.05 0.69 0.02 0.00 -0.22 0.00 0.00 54.13 54.57 1wez s LEU 88 Cb -0.18 -3.50 0.08 0.00 0.50 0.00 0.00 46.19 43.09 1wez s LEU 88 CO -0.07 -1.42 -0.03 0.20 -1.32 0.00 0.00 176.35 173.72 1wez s ASN 89 N 3.65 4.38 0.21 3.68 0.01 0.50 -5.03 114.94 122.33 1wez s ASN 89 Ca 0.57 -1.62 -0.04 0.00 -0.71 0.00 0.00 52.86 51.06 1wez s ASN 89 Cb -0.12 -1.43 -0.03 0.00 0.41 0.00 0.00 41.25 40.08 1wez s ASN 89 CO 0.32 -0.28 0.22 -0.55 -1.51 0.00 0.00 177.10 175.29 1wez s SER 90 N 1.15 0.09 -0.12 -1.22 0.15 -1.24 0.17 113.70 112.68 1wez s SER 90 Ca -0.00 -1.25 0.17 0.00 0.70 0.00 0.00 55.95 55.57 1wez s SER 90 Cb -0.19 0.43 -0.24 0.00 -1.71 0.00 0.00 66.02 64.31 1wez s SER 90 CO -0.08 -0.91 0.33 0.41 1.20 0.00 0.00 173.24 174.19 1wez n THR 91 N -0.29 1.30 -1.18 6.45 -1.04 -1.25 -4.91 114.28 113.36 1wez n THR 91 Ca 0.01 -0.80 0.07 0.00 -2.04 0.00 0.00 64.05 61.29 1wez n THR 91 Cb 0.65 -0.59 -0.02 0.00 -1.82 0.00 0.00 70.33 68.55 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 -2.16 -2.87 2.41 0.00 -1.26 -4.80 120.51 109.21 1wez n ALA 92 Ca -0.24 0.17 -0.12 0.00 0.00 0.00 0.00 53.44 53.25 1wez n ALA 92 Cb 1.05 -0.67 0.03 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.79 1.01 3.36 0.00 0.00 -1.26 -5.13 105.19 101.39 1wez n GLY 93 Ca 0.00 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 1wez n GLY 93 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wez s THR 94 N -0.03 2.27 -0.23 2.61 -1.32 -1.26 -5.13 115.64 112.55 1wez s THR 94 Ca 0.31 -1.31 -0.26 0.00 -1.21 0.00 0.00 61.69 59.22 1wez s THR 94 Cb 0.24 -1.89 0.10 0.00 -1.51 0.00 0.00 72.50 69.44 1wez s THR 94 CO -0.17 0.39 0.88 -0.94 -2.21 0.00 0.00 174.62 172.57 1wez s SER 95 N -1.20 -0.56 0.00 8.08 1.04 -1.26 -5.17 113.70 114.63 1wez s SER 95 Ca 0.12 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.53 1wez s SER 95 Cb -0.10 0.95 0.00 0.00 0.10 0.00 0.00 66.02 66.97 1wez s SER 95 CO 0.02 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.59 1wez n GLY 96 N 2.01 3.13 3.10 7.32 0.00 -1.26 -5.17 105.19 114.30 1wez n GLY 96 Ca -0.13 -1.07 -0.07 0.00 0.00 0.00 0.00 46.02 44.74 1wez n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wez s SER 97 N 0.00 0.47 0.00 1.61 0.01 -1.26 -5.17 113.70 109.36 1wez s SER 97 Ca 0.00 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.26 1wez s SER 97 Cb 0.00 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.44 1wez s SER 97 CO 0.00 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.65 1wez n GLY 98 N 0.09 1.04 2.69 3.44 0.00 -1.26 -5.04 105.19 106.15 1wez n GLY 98 Ca -0.14 -0.59 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 1wez n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wez n PRO 99 N -0.13 2.48 -3.01 1.61 -0.04 -1.26 -4.63 135.00 130.02 1wez n PRO 99 Ca 0.00 -1.98 -0.01 0.00 -0.04 0.00 0.00 63.50 61.48 1wez n PRO 99 Cb 0.00 -2.83 -0.01 0.00 -0.04 0.00 0.00 33.50 30.62 1wez n PRO 99 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wez n SER 100 N 5.29 -6.45 -4.56 3.54 3.41 -1.26 -4.73 113.62 108.86 1wez n SER 100 Ca 0.55 0.85 -0.37 0.00 -0.26 0.00 0.00 58.87 59.64 1wez n SER 100 Cb 0.28 -2.73 -0.04 0.00 -0.26 0.00 0.00 64.21 61.46 1wez n SER 100 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wez s SER 101 N -0.86 5.96 0.00 4.04 0.15 -1.26 -5.31 113.70 116.43 1wez s SER 101 Ca -0.03 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 55.73 1wez s SER 101 Cb 0.00 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1wez s SER 101 CO 0.25 -1.98 0.00 0.61 1.20 0.00 0.00 173.24 173.32