#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wez h SER 2 N 0.00 -1.34 -3.59 1.61 0.87 -2.05 -3.38 113.55 105.67 1wez h SER 2 Ca 0.00 0.15 -0.67 0.00 -1.23 0.00 0.00 61.79 60.04 1wez h SER 2 Cb 0.00 0.50 -0.34 0.00 -0.44 0.00 0.00 62.40 62.13 1wez h SER 2 CO 0.00 -0.51 -0.77 -0.55 -0.53 0.00 0.00 176.83 174.47 1wez s SER 3 N -4.71 4.28 0.07 6.23 0.15 -1.26 -5.07 113.70 113.40 1wez s SER 3 Ca -0.16 -1.05 -0.03 0.00 0.70 0.00 0.00 55.95 55.40 1wez s SER 3 Cb 0.07 -1.61 0.01 0.00 -1.71 0.00 0.00 66.02 62.78 1wez s SER 3 CO 0.63 -0.15 0.15 0.61 1.20 0.00 0.00 173.24 175.68 1wez n GLY 4 N 4.59 1.79 5.00 9.45 0.00 -1.26 -4.99 105.19 119.76 1wez n GLY 4 Ca -0.16 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1wez n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wez n SER 5 N -1.09 0.00 -2.47 1.61 7.64 -1.26 -4.69 113.62 113.36 1wez n SER 5 Ca -0.02 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.83 1wez n SER 5 Cb 0.11 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1wez n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wez n SER 6 N 2.55 -6.51 -3.25 6.43 7.64 -1.26 -5.07 113.62 114.16 1wez n SER 6 Ca 0.00 0.68 0.03 0.00 1.01 0.00 0.00 58.87 60.60 1wez n SER 6 Cb 0.00 -4.29 -0.02 0.00 -1.01 0.00 0.00 64.21 58.89 1wez n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wez s GLY 7 N -1.81 -0.76 -0.18 0.23 0.00 -1.26 -5.06 107.32 98.49 1wez s GLY 7 Ca 0.11 2.22 -0.14 0.00 0.00 0.00 0.00 44.72 46.91 1wez s GLY 7 CO 0.58 3.40 -0.19 1.44 0.00 0.00 0.00 173.10 178.33 1wez n SER 8 N 5.40 1.87 -4.28 1.64 7.64 -1.26 -4.97 113.62 119.66 1wez n SER 8 Ca -0.05 0.48 -0.34 0.00 1.01 0.00 0.00 58.87 59.98 1wez n SER 8 Cb 0.51 -0.84 0.10 0.00 -1.01 0.00 0.00 64.21 62.97 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 -4.50 -3.18 -4.11 6.43 2.88 -1.26 -4.87 113.62 105.01 1wez n SER 9 Ca -0.18 0.25 -0.36 0.00 -1.33 0.00 0.00 58.87 57.25 1wez n SER 9 Cb 0.47 -1.05 0.08 0.00 -0.75 0.00 0.00 64.21 62.96 1wez n SER 9 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1wez n PHE 10 N -3.37 -2.21 0.20 0.66 7.35 -1.26 -4.96 117.46 113.88 1wez n PHE 10 Ca 0.04 0.34 0.00 0.00 -0.76 0.00 0.00 57.45 57.07 1wez n PHE 10 Cb 0.55 -1.48 0.00 0.00 0.35 0.00 0.00 39.48 38.91 1wez n PHE 10 CO 0.00 0.00 0.00 0.94 -0.76 0.00 0.00 176.76 176.94 1wez n GLN 11 N 0.94 0.00 -1.48 -4.13 7.27 -1.26 -5.13 117.38 113.59 1wez n GLN 11 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1wez n GLN 11 Cb 0.66 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.31 1wez n GLN 11 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1wez n SER 12 N -3.49 -7.89 0.04 1.69 2.88 -1.26 -5.04 113.62 100.55 1wez n SER 12 Ca 0.00 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 1wez n SER 12 Cb 0.00 -3.80 0.00 0.00 -0.75 0.00 0.00 64.21 59.66 1wez n SER 12 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1wez n THR 13 N 0.34 0.84 0.00 2.46 -2.24 -1.26 -5.06 114.28 109.36 1wez n THR 13 Ca 0.00 0.28 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 1wez n THR 13 Cb 0.00 -1.53 0.00 0.00 -2.10 0.00 0.00 70.33 66.70 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 -3.34 0.00 0.00 4.28 -2.24 -1.26 -5.10 114.28 106.61 1wez n THR 14 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1wez n THR 14 Cb 0.15 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 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 2.62 1.21 3.72 3.38 0.00 -1.26 -5.04 105.19 109.81 1wez n GLY 15 Ca 0.00 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 3.63 0.24 1.61 3.76 -1.26 -3.77 115.29 119.50 1wez s HIS 16 Ca 0.00 1.49 -0.03 0.00 -0.15 0.00 0.00 55.06 56.36 1wez s HIS 16 Cb 0.00 -2.96 -0.03 0.00 1.11 0.00 0.00 32.58 30.70 1wez s HIS 16 CO 0.00 0.06 0.26 0.00 -0.85 0.00 0.00 174.74 174.21 1wez s VAL 18 N -3.96 -0.46 0.29 0.00 1.01 -0.59 -1.68 120.40 115.01 1wez s VAL 18 Ca 0.34 -0.03 -0.18 0.00 0.00 0.00 0.00 61.98 62.11 1wez s VAL 18 Cb 0.04 -0.70 -0.09 0.00 0.00 0.00 0.00 36.38 35.63 1wez s VAL 18 CO 0.13 -0.11 0.76 -2.28 0.00 0.00 0.00 175.10 173.60 1wez s HIS 19 N 2.44 3.50 -0.01 5.22 2.46 -0.86 -0.22 115.29 127.82 1wez s HIS 19 Ca 0.08 1.36 0.07 0.00 0.47 0.00 0.00 55.06 57.04 1wez s HIS 19 Cb -0.15 -2.62 -0.02 0.00 -0.13 0.00 0.00 32.58 29.66 1wez s HIS 19 CO -0.13 0.19 -0.23 -1.64 -2.47 0.00 0.00 174.74 170.45 1wez s MET 20 N -2.52 1.85 -0.05 2.88 -1.94 0.50 -1.23 119.30 118.80 1wez s MET 20 Ca 0.50 -0.85 -0.12 0.00 -1.71 0.00 0.00 55.69 53.51 1wez s MET 20 Cb -0.13 -1.81 0.02 0.00 2.01 0.00 0.00 34.83 34.92 1wez s MET 20 CO 0.19 0.49 0.28 1.03 -0.01 0.00 0.00 175.02 177.01 1wez s ARG 21 N -0.60 0.54 -0.73 2.03 0.52 -0.74 -1.69 118.95 118.27 1wez s ARG 21 Ca 0.09 -0.02 -0.03 0.00 -0.52 0.00 0.00 55.73 55.25 1wez s ARG 21 Cb -0.09 0.24 -0.04 0.00 0.52 0.00 0.00 34.95 35.59 1wez s ARG 21 CO -0.01 -0.13 0.63 0.41 0.02 0.00 0.00 175.30 176.23 1wez n GLY 22 N 1.85 -0.39 3.95 -3.53 0.00 -0.59 0.61 105.19 107.09 1wez n GLY 22 Ca -0.19 0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.69 4.10 0.44 0.99 1.43 0.37 -3.48 118.68 117.83 1wez s LEU 23 Ca 0.23 0.36 -0.22 0.00 -1.03 0.00 0.00 54.13 53.47 1wez s LEU 23 Cb -0.03 -3.20 -0.09 0.00 0.03 0.00 0.00 46.19 42.90 1wez s LEU 23 CO 0.50 -0.23 1.05 -2.16 0.23 0.00 0.00 176.35 175.74 1wez s PRO 24 N -4.17 3.99 0.67 1.29 0.04 -1.26 -4.60 135.00 130.95 1wez s PRO 24 Ca 0.38 1.44 0.43 0.00 0.04 0.00 0.00 61.00 63.30 1wez s PRO 24 Cb -0.10 -2.33 2.35 0.00 0.04 0.00 0.00 34.50 34.47 1wez s PRO 24 CO 0.34 -0.29 2.33 -0.92 0.04 0.00 0.00 177.00 178.50 1wez h TYR 25 N 2.04 0.00 -1.42 0.56 3.20 -1.98 -1.44 116.97 117.94 1wez h TYR 25 Ca -0.49 0.00 -0.64 0.00 3.14 0.00 0.00 58.73 60.74 1wez h TYR 25 Cb 1.22 0.00 -0.37 0.00 1.54 0.00 0.00 36.73 39.12 1wez h TYR 25 CO 0.57 0.00 -0.08 0.54 -1.64 0.00 0.00 178.16 177.56 1wez n ARG 26 N -3.06 3.20 -4.04 1.82 5.12 -1.26 -4.91 116.66 113.53 1wez n ARG 26 Ca -0.03 -4.03 -0.34 0.00 -1.93 0.00 0.00 57.85 51.52 1wez n ARG 26 Cb 0.11 -2.27 -0.15 0.00 -1.16 0.00 0.00 32.46 28.99 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 -3.73 2.65 0.20 7.54 0.00 -0.54 -5.07 121.76 122.81 1wez s ALA 27 Ca 0.52 -1.16 0.11 0.00 0.00 0.00 0.00 51.96 51.43 1wez s ALA 27 Cb 0.43 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 1wez s ALA 27 CO -0.18 -0.35 -0.23 -0.08 0.00 0.00 0.00 175.76 174.92 1wez s THR 28 N 1.33 2.29 0.20 0.00 -1.32 -1.26 -4.96 115.64 111.92 1wez s THR 28 Ca 0.04 -2.07 -0.24 0.00 -1.21 0.00 0.00 61.69 58.21 1wez s THR 28 Cb -0.14 -2.11 0.09 0.00 -1.51 0.00 0.00 72.50 68.84 1wez s THR 28 CO -0.05 -0.19 1.55 -0.33 -2.21 0.00 0.00 174.62 173.39 1wez h GLU 29 N 3.08 -0.03 -1.00 7.08 5.08 -1.96 1.51 114.58 128.34 1wez h GLU 29 Ca -0.45 0.00 0.39 0.00 -1.00 0.00 0.00 59.36 58.30 1wez h GLU 29 Cb 1.21 0.01 -0.17 0.00 0.50 0.00 0.00 28.75 30.30 1wez h GLU 29 CO 0.50 -0.02 0.55 -0.97 -1.00 0.00 0.00 179.01 178.07 1wez h ASN 30 N -0.03 0.39 0.01 1.42 -1.24 -1.99 1.00 115.58 115.14 1wez h ASN 30 Ca 0.25 0.24 -0.00 0.00 0.71 0.00 0.00 56.30 57.50 1wez h ASN 30 Cb 0.52 0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.79 1wez h ASN 30 CO -0.94 -0.33 -0.00 0.44 -1.29 0.00 0.00 177.43 175.31 1wez h ASP 31 N 0.12 -0.01 -0.87 1.15 3.32 0.16 -2.70 116.42 117.59 1wez h ASP 31 Ca 0.81 -0.59 0.23 0.00 0.02 0.00 0.00 57.03 57.50 1wez h ASP 31 Cb 2.05 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 41.55 1wez h ASP 31 CO -0.71 0.59 0.60 0.40 -1.72 0.00 0.00 179.24 178.39 1wez h ILE 32 N -0.61 0.62 -0.32 0.35 2.04 0.30 1.11 117.51 121.00 1wez h ILE 32 Ca -0.00 -0.07 -0.10 0.00 1.00 0.00 0.00 64.86 65.69 1wez h ILE 32 Cb 0.60 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1wez h ILE 32 CO 0.00 0.04 -0.19 1.88 0.00 0.00 0.00 178.15 179.88 1wez h TYR 33 N 0.19 0.81 -0.06 1.37 0.05 0.18 -1.10 116.97 118.42 1wez h TYR 33 Ca 0.44 -0.21 -0.24 0.00 0.05 0.00 0.00 58.73 58.77 1wez h TYR 33 Cb 1.40 -0.18 0.01 0.00 1.01 0.00 0.00 36.73 38.97 1wez h TYR 33 CO -0.00 0.92 -0.90 -0.97 -1.05 0.00 0.00 178.16 176.16 1wez h ASN 34 N 0.46 0.79 -0.48 3.88 -0.73 -0.20 -1.99 115.58 117.31 1wez h ASN 34 Ca 0.07 -0.58 0.02 0.00 1.87 0.00 0.00 56.30 57.67 1wez h ASN 34 Cb 0.73 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 39.05 1wez h ASN 34 CO 0.05 1.38 0.29 0.15 -0.37 0.00 0.00 177.43 178.93 1wez h PHE 35 N 0.39 0.55 0.00 0.67 3.57 0.11 -1.25 116.94 120.98 1wez h PHE 35 Ca -0.08 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1wez h PHE 35 Cb 1.54 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 40.10 1wez h PHE 35 CO 0.08 0.32 0.00 0.74 -2.23 0.00 0.00 178.31 177.22 1wez h PHE 36 N 0.59 0.00 -4.18 0.41 0.04 -1.22 -3.46 116.94 109.12 1wez h PHE 36 Ca 0.19 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.44 1wez h PHE 36 Cb -0.00 0.00 0.13 0.00 2.20 0.00 0.00 35.95 38.27 1wez h PHE 36 CO -0.06 0.00 0.39 0.45 -0.60 0.00 0.00 178.31 178.49 1wez s SER 37 N -5.03 4.69 -0.20 2.17 0.15 -0.47 -3.63 113.70 111.38 1wez s SER 37 Ca 0.07 2.20 -0.29 0.00 0.70 0.00 0.00 55.95 58.63 1wez s SER 37 Cb 0.09 -2.57 -0.01 0.00 -1.71 0.00 0.00 66.02 61.82 1wez s SER 37 CO 0.56 -1.92 1.30 -2.16 1.20 0.00 0.00 173.24 172.22 1wez s PRO 38 N -3.93 4.12 0.25 5.44 0.04 -1.26 -4.98 135.00 134.67 1wez s PRO 38 Ca 0.71 1.55 -0.21 0.00 0.04 0.00 0.00 61.00 63.10 1wez s PRO 38 Cb -0.25 -3.81 0.06 0.00 0.04 0.00 0.00 34.50 30.54 1wez s PRO 38 CO 0.42 -0.86 0.93 -0.51 0.04 0.00 0.00 177.00 177.03 1wez s LEU 39 N 3.84 -0.04 -0.35 -3.56 1.43 -1.24 -5.04 118.68 113.72 1wez s LEU 39 Ca 0.56 -0.77 -0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1wez s LEU 39 Cb -0.21 2.37 0.13 0.00 0.03 0.00 0.00 46.19 48.52 1wez s LEU 39 CO 0.18 -1.21 0.19 0.20 0.23 0.00 0.00 176.35 175.94 1wez s ASN 40 N -3.19 3.15 -0.04 2.29 0.01 -1.26 -5.04 114.94 110.87 1wez s ASN 40 Ca 0.17 -2.04 -0.30 0.00 -0.71 0.00 0.00 52.86 49.99 1wez s ASN 40 Cb -0.03 -0.45 -0.04 0.00 0.41 0.00 0.00 41.25 41.14 1wez s ASN 40 CO 0.07 -0.33 1.21 -2.16 -1.51 0.00 0.00 177.10 174.37 1wez s PRO 41 N 1.22 4.36 0.22 -0.60 0.04 -1.26 -4.78 135.00 134.20 1wez s PRO 41 Ca 0.16 1.70 -0.07 0.00 0.04 0.00 0.00 61.00 62.83 1wez s PRO 41 Cb -0.22 -3.54 0.32 0.00 0.04 0.00 0.00 34.50 31.10 1wez s PRO 41 CO -0.07 -0.43 1.80 0.52 0.04 0.00 0.00 177.00 178.86 1wez h MET 42 N 7.41 0.67 -1.73 4.56 2.86 0.13 -3.44 114.93 125.39 1wez h MET 42 Ca -0.35 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.30 1wez h MET 42 Cb 1.17 -0.15 -0.24 0.00 0.06 0.00 0.00 31.60 32.43 1wez h MET 42 CO 0.87 0.44 0.30 1.03 1.06 0.00 0.00 176.91 180.61 1wez s ARG 43 N -6.07 0.57 0.04 1.72 0.52 -1.25 -4.97 118.95 109.52 1wez s ARG 43 Ca -0.13 0.81 0.07 0.00 -0.52 0.00 0.00 55.73 55.96 1wez s ARG 43 Cb 0.18 0.21 -0.03 0.00 0.52 0.00 0.00 34.95 35.83 1wez s ARG 43 CO 0.77 -0.09 -0.18 0.08 0.02 0.00 0.00 175.30 175.89 1wez s VAL 44 N 0.80 2.77 0.09 3.52 1.01 -1.26 -2.46 120.40 124.88 1wez s VAL 44 Ca -0.03 -1.18 0.07 0.00 0.00 0.00 0.00 61.98 60.83 1wez s VAL 44 Cb -0.05 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1wez s VAL 44 CO -0.10 0.34 -0.18 -2.28 0.00 0.00 0.00 175.10 172.89 1wez s HIS 45 N -0.91 1.55 -0.28 5.22 5.04 -0.95 -4.97 115.29 119.99 1wez s HIS 45 Ca 0.14 -0.44 0.02 0.00 -1.54 0.00 0.00 55.06 53.25 1wez s HIS 45 Cb -0.10 -0.85 0.08 0.00 0.04 0.00 0.00 32.58 31.74 1wez s HIS 45 CO 0.05 0.15 -0.03 0.42 -2.34 0.00 0.00 174.74 172.99 1wez s ILE 46 N -1.28 1.93 0.11 0.89 -1.09 -1.26 -3.23 121.20 117.27 1wez s ILE 46 Ca 0.04 -1.72 -0.31 0.00 -2.23 0.00 0.00 60.65 56.43 1wez s ILE 46 Cb -0.10 -2.22 -0.08 0.00 -1.58 0.00 0.00 42.46 38.49 1wez s ILE 46 CO 0.03 -0.27 1.34 -0.70 -1.23 0.00 0.00 174.94 174.11 1wez s GLU 47 N 1.16 4.35 -0.02 2.79 2.12 -1.12 -5.02 118.70 122.97 1wez s GLU 47 Ca -0.01 2.01 0.07 0.00 0.36 0.00 0.00 54.97 57.40 1wez s GLU 47 Cb -0.19 -3.26 -0.02 0.00 0.26 0.00 0.00 34.13 30.92 1wez s GLU 47 CO -0.08 -0.38 -0.23 0.42 -0.54 0.00 0.00 175.26 174.46 1wez s ILE 48 N 0.99 1.79 0.00 -3.70 -1.09 -1.26 -2.20 121.20 115.72 1wez s ILE 48 Ca 0.62 -0.98 0.00 0.00 -2.23 0.00 0.00 60.65 58.07 1wez s ILE 48 Cb -0.35 -1.49 0.00 0.00 -1.58 0.00 0.00 42.46 39.04 1wez s ILE 48 CO 0.31 0.50 0.00 0.61 -1.23 0.00 0.00 174.94 175.12 1wez n GLY 49 N 2.50 -1.99 0.15 6.18 0.00 0.11 -4.68 105.19 107.46 1wez n GLY 49 Ca -0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.79 1wez n GLY 49 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wez h PRO 50 N 0.00 -0.25 0.00 1.61 0.13 -2.00 -3.47 132.00 128.03 1wez h PRO 50 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1wez h PRO 50 Cb 0.00 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.19 1wez h PRO 50 CO 0.00 0.02 0.00 -0.40 -0.23 0.00 0.00 178.00 177.39 1wez n ASP 51 N -4.94 0.00 0.00 1.44 5.68 -1.26 -5.05 116.55 112.42 1wez n ASP 51 Ca -0.06 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.23 1wez n ASP 51 Cb 0.19 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 1wez n ASP 51 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wez n GLY 52 N 0.00 -1.90 3.77 6.12 0.00 -1.26 -5.13 105.19 106.79 1wez n GLY 52 Ca 0.00 0.51 -0.39 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.94 4.14 0.19 1.61 0.52 -1.26 -4.88 118.95 118.33 1wez s ARG 53 Ca 0.00 1.99 -0.09 0.00 -0.52 0.00 0.00 55.73 57.11 1wez s ARG 53 Cb 0.00 -2.82 -0.07 0.00 0.52 0.00 0.00 34.95 32.58 1wez s ARG 53 CO 0.00 -0.29 0.50 0.54 0.02 0.00 0.00 175.30 176.07 1wez s VAL 54 N -1.29 4.98 0.01 3.52 0.11 -1.26 -0.71 120.40 125.75 1wez s VAL 54 Ca 0.54 0.43 0.11 0.00 -2.93 0.00 0.00 61.98 60.13 1wez s VAL 54 Cb -0.35 -3.64 -0.14 0.00 -1.53 0.00 0.00 36.38 30.73 1wez s VAL 54 CO 0.44 0.03 1.19 0.71 -3.33 0.00 0.00 175.10 174.14 1wez h THR 55 N 2.20 1.28 0.00 5.04 1.35 -1.78 -3.45 112.91 117.55 1wez h THR 55 Ca -0.47 -2.90 0.00 0.00 -0.55 0.00 0.00 66.41 62.49 1wez h THR 55 Cb 1.17 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 70.21 1wez h THR 55 CO 0.69 0.73 0.00 0.61 -0.25 0.00 0.00 175.52 177.30 1wez n GLY 56 N 1.35 1.20 3.77 5.82 0.00 -1.26 -4.71 105.19 111.36 1wez n GLY 56 Ca -0.03 0.00 -0.25 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 -0.56 2.78 -0.11 1.61 2.02 -1.26 -0.48 118.70 122.70 1wez s GLU 57 Ca 0.00 -1.01 -0.24 0.00 0.02 0.00 0.00 54.97 53.74 1wez s GLU 57 Cb 0.00 -2.54 0.06 0.00 0.10 0.00 0.00 34.13 31.75 1wez s GLU 57 CO 0.00 0.44 0.58 0.00 0.02 0.00 0.00 175.26 176.31 1wez s ALA 58 N -1.91 -1.48 -0.22 5.21 0.00 -0.68 -2.79 121.76 119.89 1wez s ALA 58 Ca 0.31 1.26 0.01 0.00 0.00 0.00 0.00 51.96 53.55 1wez s ALA 58 Cb -0.09 -0.34 0.03 0.00 0.00 0.00 0.00 23.12 22.73 1wez s ALA 58 CO 0.23 -0.32 -0.15 -0.51 0.00 0.00 0.00 175.76 175.01 1wez s ASP 59 N -0.68 3.78 0.22 0.00 1.11 -1.20 0.19 116.67 120.09 1wez s ASP 59 Ca -0.08 -0.94 0.06 0.00 0.18 0.00 0.00 52.55 51.78 1wez s ASP 59 Cb -0.03 -1.54 -0.04 0.00 1.07 0.00 0.00 42.92 42.39 1wez s ASP 59 CO 0.06 -0.08 0.16 -0.69 1.18 0.00 0.00 175.17 175.80 1wez s VAL 60 N 1.23 4.42 -0.01 -1.27 1.01 0.70 -2.24 120.40 124.24 1wez s VAL 60 Ca -0.01 -1.30 0.01 0.00 0.00 0.00 0.00 61.98 60.69 1wez s VAL 60 Cb -0.16 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1wez s VAL 60 CO -0.09 -0.25 -0.05 -0.70 0.00 0.00 0.00 175.10 174.01 1wez s GLU 61 N -3.54 0.46 0.00 2.72 2.56 -1.03 -1.55 118.70 118.33 1wez s GLU 61 Ca 0.32 -0.15 0.04 0.00 0.00 0.00 0.00 54.97 55.18 1wez s GLU 61 Cb -0.09 -0.47 -0.01 0.00 2.00 0.00 0.00 34.13 35.56 1wez s GLU 61 CO 0.24 0.07 -0.13 -0.06 -0.56 0.00 0.00 175.26 174.82 1wez s PHE 62 N 0.12 1.14 0.02 5.30 0.08 -0.88 0.17 117.98 123.92 1wez s PHE 62 Ca -0.01 -0.25 -0.26 0.00 0.12 0.00 0.00 56.93 56.53 1wez s PHE 62 Cb -0.05 -0.71 -0.17 0.00 -0.57 0.00 0.00 43.02 41.52 1wez s PHE 62 CO -0.00 -0.01 1.28 0.00 -0.10 0.00 0.00 175.22 176.40 1wez h ALA 63 N 5.57 -0.43 -5.55 5.36 0.00 -1.86 -3.34 119.26 119.00 1wez h ALA 63 Ca -0.34 -0.18 -0.36 0.00 0.00 0.00 0.00 54.91 54.03 1wez h ALA 63 Cb 1.17 0.17 0.04 0.00 0.00 0.00 0.00 17.79 19.17 1wez h ALA 63 CO 0.48 -0.59 0.01 0.25 0.00 0.00 0.00 179.25 179.40 1wez n THR 64 N -5.16 0.00 -0.00 0.00 -2.24 -1.26 -4.69 114.28 100.94 1wez n THR 64 Ca -0.10 -1.33 -0.22 0.00 -2.27 0.00 0.00 64.05 60.14 1wez n THR 64 Cb 0.26 -0.81 -0.14 0.00 -2.10 0.00 0.00 70.33 67.54 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 0.43 -0.72 4.78 2.76 -1.97 -3.36 115.15 116.86 1wez h HIS 65 Ca -0.22 -0.32 0.15 0.00 -2.20 0.00 0.00 60.37 57.78 1wez h HIS 65 Cb 0.93 -0.02 -0.11 0.00 1.55 0.00 0.00 27.41 29.76 1wez h HIS 65 CO 0.00 1.67 0.17 0.93 -1.30 0.00 0.00 177.93 179.40 1wez h GLU 66 N -0.18 0.26 -0.02 5.26 4.39 -1.96 1.53 114.58 123.86 1wez h GLU 66 Ca -0.37 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.32 1wez h GLU 66 Cb 1.87 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 30.46 1wez h GLU 66 CO 0.05 0.17 0.09 -0.44 -1.16 0.00 0.00 179.01 177.72 1wez h ASP 67 N 0.27 0.00 0.00 1.42 5.19 -1.98 1.00 116.42 122.32 1wez h ASP 67 Ca 0.40 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.75 1wez h ASP 67 Cb 0.67 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.17 1wez h ASP 67 CO -0.50 0.00 -0.72 0.00 -3.12 0.00 0.00 179.24 174.90 1wez n ALA 68 N -2.10 0.54 0.27 3.45 0.00 0.47 -3.63 120.51 119.51 1wez n ALA 68 Ca -0.02 -0.45 0.17 0.00 0.00 0.00 0.00 53.44 53.14 1wez n ALA 68 Cb 0.16 -0.12 0.93 0.00 0.00 0.00 0.00 19.45 20.42 1wez n ALA 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wez h VAL 69 N -1.00 0.00 0.00 0.00 2.07 0.42 0.43 116.25 118.17 1wez h VAL 69 Ca -0.09 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.27 1wez h VAL 69 Cb 0.72 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1wez h VAL 69 CO -0.06 0.00 -0.77 0.00 0.02 0.00 0.00 177.57 176.76 1wez h ALA 70 N 1.94 0.62 0.00 1.67 0.00 0.90 -2.89 119.26 121.50 1wez h ALA 70 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1wez h ALA 70 Cb 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1wez h ALA 70 CO 0.00 0.96 0.00 0.00 0.00 0.00 0.00 179.25 180.21 1wez h ALA 71 N 1.23 1.00 0.00 0.00 0.00 -0.21 -2.82 119.26 118.45 1wez h ALA 71 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wez h ALA 71 Cb 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1wez h ALA 71 CO 0.10 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 178.02 1wez n MET 72 N -2.63 0.23 0.03 0.00 2.81 -1.09 -1.73 117.12 114.75 1wez n MET 72 Ca 0.03 0.14 -0.12 0.00 -1.81 0.00 0.00 57.70 55.94 1wez n MET 72 Cb 0.38 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.25 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 2.68 0.46 -0.41 3.04 0.00 -1.67 -3.23 119.26 120.13 1wez h ALA 73 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.73 1wez h ALA 73 Cb 0.11 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1wez h ALA 73 CO 0.00 1.32 0.00 1.63 0.00 0.00 0.00 179.25 182.20 1wez n LYS 74 N -3.30 2.08 -2.13 0.00 4.76 -0.71 -4.82 118.16 114.05 1wez n LYS 74 Ca -0.13 -1.52 -0.39 0.00 -2.87 0.00 0.00 58.31 53.41 1wez n LYS 74 Cb 1.02 -1.38 -0.01 0.00 -1.84 0.00 0.00 35.03 32.82 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 -0.94 6.31 0.00 4.39 -4.77 -1.17 -3.40 116.67 117.08 1wez s ASP 75 Ca 0.28 2.53 0.00 0.00 -3.30 0.00 0.00 52.55 52.06 1wez s ASP 75 Cb 0.15 -2.63 0.00 0.00 -1.09 0.00 0.00 42.92 39.36 1wez s ASP 75 CO 0.18 -0.84 0.00 0.29 0.70 0.00 0.00 175.17 175.50 1wez n LYS 76 N -0.00 0.00 -0.98 2.11 5.02 -0.56 -4.87 118.16 118.88 1wez n LYS 76 Ca 0.05 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.95 1wez n LYS 76 Cb 0.45 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.40 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 -1.55 -1.87 7.82 0.00 -1.22 -2.35 120.51 121.34 1wez n ALA 77 Ca 0.00 0.33 -0.37 0.00 0.00 0.00 0.00 53.44 53.40 1wez n ALA 77 Cb 0.00 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 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 0.95 4.96 0.47 0.00 4.22 -1.26 -3.81 114.94 120.48 1wez s ASN 78 Ca 0.59 0.55 0.38 0.00 -2.14 0.00 0.00 52.86 52.24 1wez s ASN 78 Cb -0.83 -2.52 1.54 0.00 1.28 0.00 0.00 41.25 40.71 1wez s ASN 78 CO 0.42 -2.58 1.51 0.80 -2.04 0.00 0.00 177.10 175.21 1wez n MET 79 N 9.12 -0.02 0.00 3.55 0.00 -1.18 -4.27 117.12 124.32 1wez n MET 79 Ca 0.27 1.15 0.00 0.00 -0.00 0.00 0.00 57.70 59.11 1wez n MET 79 Cb 0.53 -2.40 0.00 0.00 0.00 0.00 0.00 33.22 31.35 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 -4.33 0.00 -0.09 2.12 6.02 -1.26 -4.99 117.38 114.85 1wez n GLN 80 Ca 0.41 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 1wez n GLN 80 Cb 1.69 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.95 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 -1.71 0.00 -4.24 1.08 1.44 -1.26 -5.06 115.22 105.47 1wez n HIS 81 Ca 0.00 -0.02 -0.19 0.00 -2.01 0.00 0.00 57.72 55.50 1wez n HIS 81 Cb 0.00 -0.01 -0.16 0.00 0.12 0.00 0.00 29.99 29.94 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 -0.04 0.77 -0.43 -1.40 1.81 -1.26 -5.06 118.95 113.35 1wez s ARG 82 Ca 0.00 -0.19 -0.27 0.00 -1.72 0.00 0.00 55.73 53.55 1wez s ARG 82 Cb 0.00 -0.75 -0.03 0.00 -0.45 0.00 0.00 34.95 33.72 1wez s ARG 82 CO 0.00 0.03 1.92 0.71 -0.68 0.00 0.00 175.30 177.28 1wez s TYR 83 N 0.42 1.63 0.42 -0.53 2.02 -1.26 -3.11 117.35 116.94 1wez s TYR 83 Ca -0.06 0.78 -0.07 0.00 -0.37 0.00 0.00 57.07 57.36 1wez s TYR 83 Cb -0.10 -4.04 -0.05 0.00 -0.40 0.00 0.00 41.96 37.38 1wez s TYR 83 CO 0.00 -2.78 0.73 0.08 -1.57 0.00 0.00 175.55 172.01 1wez s VAL 84 N 8.29 4.89 -0.10 0.71 1.01 -0.99 -4.72 120.40 129.49 1wez s VAL 84 Ca 0.79 0.29 0.03 0.00 0.00 0.00 0.00 61.98 63.09 1wez s VAL 84 Cb -0.19 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 1wez s VAL 84 CO 0.29 -0.64 -0.19 -1.61 0.00 0.00 0.00 175.10 172.95 1wez s GLU 85 N -4.23 3.08 -0.13 2.72 0.41 0.20 -1.50 118.70 119.26 1wez s GLU 85 Ca 0.48 -0.79 0.02 0.00 -0.41 0.00 0.00 54.97 54.27 1wez s GLU 85 Cb -0.10 -2.43 0.00 0.00 -1.78 0.00 0.00 34.13 29.82 1wez s GLU 85 CO 0.37 0.26 -0.20 -0.51 -0.49 0.00 0.00 175.26 174.69 1wez s LEU 86 N 0.19 2.25 -0.31 1.80 1.43 -1.26 -1.79 118.68 120.99 1wez s LEU 86 Ca -0.11 -0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 52.41 1wez s LEU 86 Cb -0.16 -1.48 0.04 0.00 0.03 0.00 0.00 46.19 44.62 1wez s LEU 86 CO 0.06 0.11 0.04 -0.36 0.23 0.00 0.00 176.35 176.43 1wez s PHE 87 N 0.68 3.25 -0.90 0.29 0.08 -0.36 -4.90 117.98 116.12 1wez s PHE 87 Ca -0.10 -1.64 -0.24 0.00 0.12 0.00 0.00 56.93 55.07 1wez s PHE 87 Cb -0.16 -2.18 0.01 0.00 -0.57 0.00 0.00 43.02 40.12 1wez s PHE 87 CO 0.02 -0.76 1.62 -1.17 -0.10 0.00 0.00 175.22 174.82 1wez s LEU 88 N 1.33 3.33 -0.43 -0.37 1.98 -1.26 -2.02 118.68 121.23 1wez s LEU 88 Ca -0.03 -0.88 -0.10 0.00 -2.89 0.00 0.00 54.13 50.23 1wez s LEU 88 Cb -0.19 -2.56 0.08 0.00 0.66 0.00 0.00 46.19 44.18 1wez s LEU 88 CO 0.01 -2.02 0.28 0.20 -1.89 0.00 0.00 176.35 172.92 1wez s ASN 89 N 6.04 5.68 0.20 3.68 0.01 -0.68 -5.00 114.94 124.88 1wez s ASN 89 Ca 0.54 -1.53 -0.04 0.00 -0.71 0.00 0.00 52.86 51.12 1wez s ASN 89 Cb -0.05 -2.01 -0.03 0.00 0.41 0.00 0.00 41.25 39.58 1wez s ASN 89 CO -0.00 -0.56 0.21 -0.94 -1.51 0.00 0.00 177.10 174.30 1wez s SER 90 N 2.21 0.10 -0.17 -1.22 1.04 -1.26 0.17 113.70 114.57 1wez s SER 90 Ca 0.03 -1.25 0.17 0.00 0.48 0.00 0.00 55.95 55.38 1wez s SER 90 Cb -0.23 0.42 -0.23 0.00 0.10 0.00 0.00 66.02 66.08 1wez s SER 90 CO 0.02 -0.90 0.08 0.41 0.98 0.00 0.00 173.24 173.83 1wez n THR 91 N -0.28 1.21 -1.11 2.02 -1.04 -1.25 -4.95 114.28 108.87 1wez n THR 91 Ca 0.00 -0.77 0.13 0.00 -2.04 0.00 0.00 64.05 61.38 1wez n THR 91 Cb 0.65 -0.48 -0.04 0.00 -1.82 0.00 0.00 70.33 68.63 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 -2.66 -3.24 -2.15 2.41 0.00 -1.26 -4.97 120.51 108.64 1wez n ALA 92 Ca -0.29 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1wez n ALA 92 Cb 1.07 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 -3.44 0.64 3.31 0.00 0.00 -1.26 -5.15 105.19 99.29 1wez n GLY 93 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 2.58 0.02 -0.29 2.61 -1.32 -1.26 -5.16 115.64 112.82 1wez s THR 94 Ca 0.00 -0.14 -0.24 0.00 -1.21 0.00 0.00 61.69 60.10 1wez s THR 94 Cb 0.00 -0.63 0.14 0.00 -1.51 0.00 0.00 72.50 70.50 1wez s THR 94 CO 0.00 -0.08 1.12 -0.94 -2.21 0.00 0.00 174.62 172.51 1wez s SER 95 N -0.35 -0.37 -0.10 8.08 1.04 -1.26 -5.16 113.70 115.58 1wez s SER 95 Ca -0.05 0.68 -0.04 0.00 0.48 0.00 0.00 55.95 57.02 1wez s SER 95 Cb -0.03 0.77 -0.04 0.00 0.10 0.00 0.00 66.02 66.82 1wez s SER 95 CO 0.02 -0.12 0.06 -0.83 0.98 0.00 0.00 173.24 173.36 1wez s GLY 96 N 0.35 1.99 0.85 7.32 0.00 -1.26 -5.09 107.32 111.48 1wez s GLY 96 Ca 0.02 -0.73 -0.11 0.00 0.00 0.00 0.00 44.72 43.90 1wez s GLY 96 CO -0.09 -0.49 1.11 -0.45 0.00 0.00 0.00 173.10 173.17 1wez s SER 97 N -0.96 3.75 0.00 1.64 0.15 -1.26 -5.06 113.70 111.96 1wez s SER 97 Ca 0.14 1.89 0.00 0.00 0.70 0.00 0.00 55.95 58.68 1wez s SER 97 Cb -0.12 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1wez s SER 97 CO 0.03 -2.53 0.00 0.61 1.20 0.00 0.00 173.24 172.56 1wez n GLY 98 N -0.68 1.07 3.73 9.45 0.00 -1.26 -5.00 105.19 112.51 1wez n GLY 98 Ca 0.09 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 1wez n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wez s PRO 99 N 0.86 4.56 0.30 1.61 0.04 -1.26 -5.05 135.00 136.06 1wez s PRO 99 Ca 0.00 1.74 0.09 0.00 0.04 0.00 0.00 61.00 62.87 1wez s PRO 99 Cb 0.00 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 1wez s PRO 99 CO 0.00 0.01 0.08 0.45 0.04 0.00 0.00 177.00 177.58 1wez s SER 100 N 0.09 4.71 0.19 6.66 0.15 -1.26 -5.03 113.70 119.22 1wez s SER 100 Ca 0.51 -0.66 -0.23 0.00 0.70 0.00 0.00 55.95 56.27 1wez s SER 100 Cb -0.30 -0.85 0.11 0.00 -1.71 0.00 0.00 66.02 63.27 1wez s SER 100 CO 0.34 -0.14 1.56 0.28 1.20 0.00 0.00 173.24 176.49 1wez h SER 101 N 1.69 -1.55 0.00 5.45 0.02 -2.07 -3.56 113.55 113.53 1wez h SER 101 Ca -0.44 0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1wez h SER 101 Cb 1.25 0.75 0.00 0.00 0.14 0.00 0.00 62.40 64.54 1wez h SER 101 CO 0.62 -0.30 0.00 0.61 -1.14 0.00 0.00 176.83 176.62