#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 -2.78 -3.58 1.61 2.88 -1.26 -5.02 113.62 105.47 1wez n SER 2 Ca 0.00 0.32 -0.01 0.00 -1.33 0.00 0.00 58.87 57.85 1wez n SER 2 Cb 0.00 -1.12 -0.06 0.00 -0.75 0.00 0.00 64.21 62.28 1wez n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wez s SER 3 N -1.78 -0.54 0.00 -3.46 0.15 -1.26 -5.12 113.70 101.70 1wez s SER 3 Ca 0.54 0.82 0.00 0.00 0.70 0.00 0.00 55.95 58.02 1wez s SER 3 Cb -0.22 1.35 0.00 0.00 -1.71 0.00 0.00 66.02 65.44 1wez s SER 3 CO 0.70 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.62 1wez n GLY 4 N 4.08 1.57 2.91 9.45 0.00 -1.26 -5.06 105.19 116.88 1wez n GLY 4 Ca -0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 -6.08 -4.22 1.61 7.64 -1.26 -4.97 113.62 106.35 1wez n SER 5 Ca 0.00 1.02 -0.34 0.00 1.01 0.00 0.00 58.87 60.56 1wez n SER 5 Cb 0.00 -3.51 -0.14 0.00 -1.01 0.00 0.00 64.21 59.54 1wez n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wez s SER 6 N -0.98 4.17 0.16 6.43 0.15 -1.26 -5.01 113.70 117.37 1wez s SER 6 Ca -0.06 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 55.89 1wez s SER 6 Cb 0.00 -1.67 0.00 0.00 -1.71 0.00 0.00 66.02 62.65 1wez s SER 6 CO 0.41 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.38 1wez n GLY 7 N 4.70 -3.01 3.80 9.45 0.00 -1.26 -4.93 105.19 113.95 1wez n GLY 7 Ca -0.17 -1.25 -0.34 0.00 0.00 0.00 0.00 46.02 44.26 1wez n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wez s SER 8 N -4.11 6.28 -0.07 1.61 0.15 -1.26 -5.05 113.70 111.26 1wez s SER 8 Ca 0.00 1.88 -0.31 0.00 0.70 0.00 0.00 55.95 58.21 1wez s SER 8 Cb 0.00 -2.55 0.12 0.00 -1.71 0.00 0.00 66.02 61.87 1wez s SER 8 CO 0.00 -0.82 1.06 -0.94 1.20 0.00 0.00 173.24 173.74 1wez s SER 9 N -2.20 -0.23 0.55 5.45 1.04 -1.26 -5.13 113.70 111.92 1wez s SER 9 Ca 0.66 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 57.04 1wez s SER 9 Cb -0.16 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1wez s SER 9 CO 0.23 -0.46 0.00 0.33 0.98 0.00 0.00 173.24 174.32 1wez n PHE 10 N -0.22 -3.50 -2.61 5.02 -0.00 -1.26 -4.98 117.46 109.90 1wez n PHE 10 Ca -0.05 1.93 -0.02 0.00 -0.00 0.00 0.00 57.45 59.31 1wez n PHE 10 Cb 0.60 -3.13 0.05 0.00 -0.00 0.00 0.00 39.48 37.00 1wez n PHE 10 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 1wez n GLN 11 N -3.86 0.59 -3.12 -4.13 7.27 -1.26 -5.06 117.38 107.81 1wez n GLN 11 Ca -0.07 -0.72 -0.11 0.00 0.07 0.00 0.00 57.00 56.17 1wez n GLN 11 Cb 0.57 0.13 0.01 0.00 2.41 0.00 0.00 30.24 33.36 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 -0.65 -6.82 0.05 1.69 2.88 -1.26 -4.98 113.62 104.53 1wez n SER 12 Ca -0.12 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 1wez n SER 12 Cb 0.69 -2.97 0.00 0.00 -0.75 0.00 0.00 64.21 61.18 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 0.56 0.82 0.05 2.46 -2.24 -1.26 -5.04 114.28 109.63 1wez n THR 13 Ca -0.01 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 1wez n THR 13 Cb 0.43 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.37 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 -3.27 0.89 0.00 4.28 -2.24 -1.26 -5.09 114.28 107.59 1wez n THR 14 Ca 0.00 0.29 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 1wez n THR 14 Cb 0.00 -1.35 0.00 0.00 -2.10 0.00 0.00 70.33 66.88 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 3.26 4.10 3.65 3.38 0.00 -1.26 -4.97 105.19 113.34 1wez n GLY 15 Ca 0.00 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 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 3.30 0.12 1.61 3.76 -1.26 -3.66 115.29 119.15 1wez s HIS 16 Ca 0.00 1.33 -0.05 0.00 -0.15 0.00 0.00 55.06 56.19 1wez s HIS 16 Cb 0.00 -3.27 -0.02 0.00 1.11 0.00 0.00 32.58 30.40 1wez s HIS 16 CO 0.00 -0.50 0.13 0.00 -0.85 0.00 0.00 174.74 173.52 1wez s VAL 18 N -3.97 0.33 0.32 0.00 1.01 0.13 -0.26 120.40 117.96 1wez s VAL 18 Ca 0.16 0.12 -0.15 0.00 0.00 0.00 0.00 61.98 62.11 1wez s VAL 18 Cb 0.06 -0.52 -0.09 0.00 0.00 0.00 0.00 36.38 35.83 1wez s VAL 18 CO -0.03 0.22 0.73 -2.28 0.00 0.00 0.00 175.10 173.74 1wez s HIS 19 N 1.99 3.37 -0.02 5.22 2.46 -0.46 0.60 115.29 128.45 1wez s HIS 19 Ca 0.05 1.21 0.05 0.00 0.47 0.00 0.00 55.06 56.84 1wez s HIS 19 Cb -0.12 -2.53 -0.01 0.00 -0.13 0.00 0.00 32.58 29.79 1wez s HIS 19 CO -0.05 0.09 -0.18 -1.64 -2.47 0.00 0.00 174.74 170.49 1wez s MET 20 N -3.00 1.51 -0.01 2.88 -1.94 0.52 -1.57 119.30 117.69 1wez s MET 20 Ca 0.54 -0.63 -0.13 0.00 -1.71 0.00 0.00 55.69 53.76 1wez s MET 20 Cb -0.10 -1.42 0.02 0.00 2.01 0.00 0.00 34.83 35.33 1wez s MET 20 CO 0.18 0.35 0.27 1.03 -0.01 0.00 0.00 175.02 176.83 1wez s ARG 21 N -0.32 0.62 -0.86 2.03 0.52 -0.03 -1.05 118.95 119.86 1wez s ARG 21 Ca 0.05 -0.24 -0.03 0.00 -0.52 0.00 0.00 55.73 54.98 1wez s ARG 21 Cb -0.08 0.27 -0.04 0.00 0.52 0.00 0.00 34.95 35.63 1wez s ARG 21 CO -0.00 -0.17 0.74 0.41 0.02 0.00 0.00 175.30 176.30 1wez n GLY 22 N 1.32 -0.55 3.94 -3.53 0.00 -0.44 0.21 105.19 106.14 1wez n GLY 22 Ca -0.22 0.26 -0.26 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 -5.05 4.19 0.57 0.99 1.43 0.73 -2.88 118.68 118.66 1wez s LEU 23 Ca 0.24 0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 53.55 1wez s LEU 23 Cb -0.03 -3.16 -0.05 0.00 0.03 0.00 0.00 46.19 42.98 1wez s LEU 23 CO 0.58 -0.11 1.05 -2.16 0.23 0.00 0.00 176.35 175.94 1wez s PRO 24 N -3.65 3.47 0.58 1.29 0.04 -1.26 -4.53 135.00 130.93 1wez s PRO 24 Ca 0.38 1.20 0.35 0.00 0.04 0.00 0.00 61.00 62.97 1wez s PRO 24 Cb -0.10 -2.05 1.70 0.00 0.04 0.00 0.00 34.50 34.08 1wez s PRO 24 CO 0.31 -0.69 2.12 -0.92 0.04 0.00 0.00 177.00 177.86 1wez h TYR 25 N 0.67 0.00 -0.97 0.56 3.20 -1.98 -2.36 116.97 116.09 1wez h TYR 25 Ca -0.47 0.00 -0.64 0.00 3.14 0.00 0.00 58.73 60.76 1wez h TYR 25 Cb 1.22 0.00 -0.34 0.00 1.54 0.00 0.00 36.73 39.15 1wez h TYR 25 CO 0.59 0.04 0.27 0.54 -1.64 0.00 0.00 178.16 177.96 1wez n ARG 26 N -3.24 3.03 -4.05 1.82 1.74 -1.26 -4.91 116.66 109.78 1wez n ARG 26 Ca -0.01 -3.63 -0.32 0.00 -0.77 0.00 0.00 57.85 53.13 1wez n ARG 26 Cb 0.22 -2.28 -0.16 0.00 -1.02 0.00 0.00 32.46 29.22 1wez n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wez s ALA 27 N -3.76 2.22 0.47 7.54 0.00 -0.89 -5.04 121.76 122.30 1wez s ALA 27 Ca 0.59 -1.32 0.05 0.00 0.00 0.00 0.00 51.96 51.29 1wez s ALA 27 Cb 0.47 -1.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 1wez s ALA 27 CO -0.01 -0.74 0.18 -0.08 0.00 0.00 0.00 175.76 175.10 1wez s THR 28 N 1.30 1.79 0.14 0.00 -1.32 -1.26 -4.90 115.64 111.39 1wez s THR 28 Ca -0.01 -1.75 -0.26 0.00 -1.21 0.00 0.00 61.69 58.46 1wez s THR 28 Cb -0.16 -2.54 -0.02 0.00 -1.51 0.00 0.00 72.50 68.27 1wez s THR 28 CO -0.09 0.00 1.61 -0.33 -2.21 0.00 0.00 174.62 173.60 1wez h GLU 29 N 1.26 -0.39 -1.13 7.08 5.08 -1.96 0.48 114.58 124.98 1wez h GLU 29 Ca -0.42 0.03 0.33 0.00 -1.00 0.00 0.00 59.36 58.30 1wez h GLU 29 Cb 1.28 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.58 1wez h GLU 29 CO 0.69 -0.26 0.98 -0.91 -1.00 0.00 0.00 179.01 178.51 1wez h ASN 30 N -0.41 0.00 0.00 1.42 2.35 -1.99 0.59 115.58 117.55 1wez h ASN 30 Ca 0.09 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1wez h ASN 30 Cb 0.56 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.92 1wez h ASN 30 CO -0.36 0.00 -0.12 -0.78 -1.65 0.00 0.00 177.43 174.52 1wez h ASP 31 N 0.00 0.00 -0.00 5.81 1.82 -0.56 -3.01 116.42 120.48 1wez h ASP 31 Ca 0.54 -0.47 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1wez h ASP 31 Cb 2.49 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 42.50 1wez h ASP 31 CO -0.01 0.80 0.29 0.40 -1.61 0.00 0.00 179.24 179.11 1wez h ILE 32 N -1.00 0.01 0.17 2.25 2.04 0.20 1.41 117.51 122.59 1wez h ILE 32 Ca -0.02 0.00 -0.29 0.00 1.00 0.00 0.00 64.86 65.55 1wez h ILE 32 Cb 0.56 0.72 0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1wez h ILE 32 CO -0.01 0.00 -1.24 1.88 0.00 0.00 0.00 178.15 178.78 1wez h TYR 33 N 0.00 0.91 0.00 1.37 0.05 -0.09 -2.98 116.97 116.23 1wez h TYR 33 Ca 0.00 -0.62 0.00 0.00 0.05 0.00 0.00 58.73 58.16 1wez h TYR 33 Cb 0.57 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.26 1wez h TYR 33 CO 0.00 1.47 -0.61 -0.91 -1.05 0.00 0.00 178.16 177.06 1wez h ASN 34 N 0.10 0.00 0.47 3.88 4.21 -0.30 -3.07 115.58 120.87 1wez h ASN 34 Ca -0.20 -0.20 -0.20 0.00 1.21 0.00 0.00 56.30 56.91 1wez h ASN 34 Cb 1.95 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 39.14 1wez h ASN 34 CO 0.24 0.10 -0.85 0.15 -1.29 0.00 0.00 177.43 175.78 1wez h PHE 35 N 0.00 0.40 -0.01 1.19 3.57 0.16 -3.13 116.94 119.12 1wez h PHE 35 Ca 0.00 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 61.29 1wez h PHE 35 Cb 0.75 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.44 1wez h PHE 35 CO 0.00 1.00 -0.48 1.19 -2.23 0.00 0.00 178.31 177.79 1wez n PHE 36 N -3.72 0.00 -1.34 0.41 3.72 -1.13 -4.79 117.46 110.62 1wez n PHE 36 Ca -0.04 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.04 1wez n PHE 36 Cb 0.78 -0.09 0.09 0.00 -0.94 0.00 0.00 39.48 39.32 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 -2.67 4.35 -0.22 4.37 0.01 -1.16 -3.76 113.70 114.61 1wez s SER 37 Ca 0.18 2.04 -0.29 0.00 1.31 0.00 0.00 55.95 59.18 1wez s SER 37 Cb 0.18 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.85 1wez s SER 37 CO 0.62 -2.15 1.31 -2.16 0.41 0.00 0.00 173.24 171.28 1wez s PRO 38 N -4.44 4.07 0.16 12.44 0.04 -1.26 -5.02 135.00 140.99 1wez s PRO 38 Ca 0.66 1.50 -0.24 0.00 0.04 0.00 0.00 61.00 62.96 1wez s PRO 38 Cb -0.21 -3.84 0.07 0.00 0.04 0.00 0.00 34.50 30.56 1wez s PRO 38 CO 0.50 -0.92 1.01 -0.51 0.04 0.00 0.00 177.00 177.12 1wez s LEU 39 N 3.99 -0.09 -0.33 -3.56 1.43 -1.25 -4.99 118.68 113.89 1wez s LEU 39 Ca 0.57 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1wez s LEU 39 Cb -0.20 2.10 0.12 0.00 0.03 0.00 0.00 46.19 48.24 1wez s LEU 39 CO 0.19 -0.93 0.17 0.20 0.23 0.00 0.00 176.35 176.22 1wez s ASN 40 N -3.14 3.32 -0.14 2.29 -0.87 -1.26 -5.00 114.94 110.14 1wez s ASN 40 Ca 0.16 -1.87 -0.29 0.00 -1.57 0.00 0.00 52.86 49.29 1wez s ASN 40 Cb -0.02 -0.48 -0.02 0.00 -0.02 0.00 0.00 41.25 40.72 1wez s ASN 40 CO 0.03 -0.36 1.26 -2.16 -2.57 0.00 0.00 177.10 173.31 1wez s PRO 41 N 1.41 4.25 0.33 -0.60 0.04 -1.26 -4.79 135.00 134.38 1wez s PRO 41 Ca 0.14 1.68 0.10 0.00 0.04 0.00 0.00 61.00 62.96 1wez s PRO 41 Cb -0.20 -3.74 0.99 0.00 0.04 0.00 0.00 34.50 31.59 1wez s PRO 41 CO -0.14 -0.67 1.60 0.52 0.04 0.00 0.00 177.00 178.35 1wez h MET 42 N 8.12 0.08 -1.65 4.56 2.86 0.13 -3.42 114.93 125.61 1wez h MET 42 Ca -0.28 -0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.40 1wez h MET 42 Cb 1.11 -0.02 -0.24 0.00 0.06 0.00 0.00 31.60 32.51 1wez h MET 42 CO 0.96 0.05 0.44 -0.98 1.06 0.00 0.00 176.91 178.43 1wez s ARG 43 N -5.78 0.61 -0.08 1.72 1.70 -1.25 -4.97 118.95 110.89 1wez s ARG 43 Ca -0.11 0.46 0.05 0.00 -0.47 0.00 0.00 55.73 55.66 1wez s ARG 43 Cb 0.30 0.29 -0.00 0.00 -0.57 0.00 0.00 34.95 34.97 1wez s ARG 43 CO 0.78 -0.13 -0.24 0.08 -1.08 0.00 0.00 175.30 174.71 1wez s VAL 44 N -0.30 2.06 -0.06 4.99 1.01 -1.26 -2.61 120.40 124.23 1wez s VAL 44 Ca 0.00 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 60.97 1wez s VAL 44 Cb -0.03 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 1wez s VAL 44 CO -0.02 0.56 -0.14 -2.28 0.00 0.00 0.00 175.10 173.23 1wez s HIS 45 N 0.11 2.72 -0.18 5.22 5.04 0.14 -4.93 115.29 123.41 1wez s HIS 45 Ca -0.12 -0.21 -0.02 0.00 -1.54 0.00 0.00 55.06 53.16 1wez s HIS 45 Cb -0.16 -1.66 -0.01 0.00 0.04 0.00 0.00 32.58 30.79 1wez s HIS 45 CO 0.07 0.14 -0.08 0.42 -2.34 0.00 0.00 174.74 172.94 1wez s ILE 46 N -0.60 3.21 -0.02 0.89 -1.09 -1.26 -1.99 121.20 120.34 1wez s ILE 46 Ca 0.09 -0.57 -0.29 0.00 -2.23 0.00 0.00 60.65 57.64 1wez s ILE 46 Cb -0.11 -2.41 -0.03 0.00 -1.58 0.00 0.00 42.46 38.33 1wez s ILE 46 CO 0.01 0.47 0.96 -0.70 -1.23 0.00 0.00 174.94 174.46 1wez s GLU 47 N 0.95 4.53 0.00 2.79 2.56 -0.34 -5.01 118.70 124.18 1wez s GLU 47 Ca -0.01 1.37 0.05 0.00 0.00 0.00 0.00 54.97 56.38 1wez s GLU 47 Cb -0.15 -3.47 -0.01 0.00 2.00 0.00 0.00 34.13 32.49 1wez s GLU 47 CO -0.00 -0.09 -0.14 0.42 -0.56 0.00 0.00 175.26 174.89 1wez s ILE 48 N 1.17 1.14 0.00 -3.70 -1.09 -1.26 -1.61 121.20 115.85 1wez s ILE 48 Ca 0.50 -0.74 0.00 0.00 -2.23 0.00 0.00 60.65 58.19 1wez s ILE 48 Cb -0.20 -0.97 0.00 0.00 -1.58 0.00 0.00 42.46 39.70 1wez s ILE 48 CO 0.26 0.23 0.00 0.61 -1.23 0.00 0.00 174.94 174.80 1wez n GLY 49 N 2.47 -0.85 0.08 6.18 0.00 -0.59 -4.78 105.19 107.70 1wez n GLY 49 Ca -0.15 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.16 0.00 1.61 0.13 -2.00 -3.47 132.00 128.11 1wez h PRO 50 Ca 0.00 0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.12 1wez h PRO 50 Cb 0.00 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.15 1wez h PRO 50 CO 0.00 -0.11 -0.03 -3.47 -0.23 0.00 0.00 178.00 174.16 1wez n ASP 51 N -3.48 -0.16 0.00 1.44 2.03 -1.26 -5.05 116.55 110.07 1wez n ASP 51 Ca -0.02 -0.96 0.00 0.00 0.52 0.00 0.00 54.79 54.33 1wez n ASP 51 Cb 0.07 0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 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 -0.14 -1.86 3.64 0.27 0.00 -1.26 -5.14 105.19 100.69 1wez n GLY 52 Ca -0.02 0.53 -0.35 0.00 0.00 0.00 0.00 46.02 46.18 1wez n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wez n ARG 53 N -1.38 0.40 -4.27 1.61 1.74 -1.26 -4.83 116.66 108.66 1wez n ARG 53 Ca 0.00 0.20 -0.32 0.00 -0.77 0.00 0.00 57.85 56.96 1wez n ARG 53 Cb 0.00 -2.29 -0.09 0.00 -1.02 0.00 0.00 32.46 29.06 1wez n ARG 53 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1wez s VAL 54 N -1.92 3.95 0.14 1.55 0.11 -1.26 -1.55 120.40 121.42 1wez s VAL 54 Ca 0.73 -0.80 0.08 0.00 -2.93 0.00 0.00 61.98 59.06 1wez s VAL 54 Cb -0.32 -2.80 -0.16 0.00 -1.53 0.00 0.00 36.38 31.57 1wez s VAL 54 CO 0.51 0.28 1.36 0.71 -3.33 0.00 0.00 175.10 174.63 1wez h THR 55 N 3.35 1.62 0.00 5.04 1.35 -1.63 -3.46 112.91 119.18 1wez h THR 55 Ca -0.48 -3.10 0.00 0.00 -0.55 0.00 0.00 66.41 62.27 1wez h THR 55 Cb 1.17 2.69 0.00 0.00 -1.73 0.00 0.00 68.15 70.28 1wez h THR 55 CO 0.57 0.88 0.00 0.61 -0.25 0.00 0.00 175.52 177.33 1wez n GLY 56 N 1.13 1.12 3.80 5.82 0.00 -1.26 -4.72 105.19 111.07 1wez n GLY 56 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.44 2.93 0.04 1.61 2.02 -1.26 -0.19 118.70 123.41 1wez s GLU 57 Ca 0.00 -0.79 -0.21 0.00 0.02 0.00 0.00 54.97 53.99 1wez s GLU 57 Cb 0.00 -2.69 0.05 0.00 0.10 0.00 0.00 34.13 31.58 1wez s GLU 57 CO 0.00 0.51 0.49 0.00 0.02 0.00 0.00 175.26 176.28 1wez s ALA 58 N -1.63 -1.23 -0.10 5.21 0.00 -0.21 -1.20 121.76 122.60 1wez s ALA 58 Ca 0.31 0.54 0.03 0.00 0.00 0.00 0.00 51.96 52.84 1wez s ALA 58 Cb -0.11 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.36 1wez s ALA 58 CO 0.23 -0.47 -0.20 -0.51 0.00 0.00 0.00 175.76 174.81 1wez s ASP 59 N -1.91 2.73 0.17 0.00 1.01 -0.84 0.20 116.67 118.02 1wez s ASP 59 Ca -0.06 -0.49 0.11 0.00 0.71 0.00 0.00 52.55 52.82 1wez s ASP 59 Cb -0.01 -1.25 -0.04 0.00 1.01 0.00 0.00 42.92 42.63 1wez s ASP 59 CO -0.01 0.11 -0.25 -0.69 0.21 0.00 0.00 175.17 174.53 1wez s VAL 60 N 0.54 2.31 0.01 -1.27 1.01 0.20 -0.68 120.40 122.52 1wez s VAL 60 Ca -0.15 -1.92 0.02 0.00 0.00 0.00 0.00 61.98 59.92 1wez s VAL 60 Cb -0.17 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 1wez s VAL 60 CO 0.05 -0.04 -0.06 -0.70 0.00 0.00 0.00 175.10 174.36 1wez s GLU 61 N -2.43 0.45 0.05 2.72 -6.30 -1.07 0.23 118.70 112.34 1wez s GLU 61 Ca 0.18 -0.38 0.05 0.00 -2.50 0.00 0.00 54.97 52.32 1wez s GLU 61 Cb -0.09 -0.35 -0.02 0.00 0.00 0.00 0.00 34.13 33.66 1wez s GLU 61 CO 0.08 0.09 -0.13 -0.06 0.02 0.00 0.00 175.26 175.26 1wez s PHE 62 N -0.55 1.14 0.16 5.30 0.08 -0.43 0.17 117.98 123.84 1wez s PHE 62 Ca -0.02 -0.40 -0.14 0.00 0.12 0.00 0.00 56.93 56.49 1wez s PHE 62 Cb -0.05 -0.66 0.04 0.00 -0.57 0.00 0.00 43.02 41.78 1wez s PHE 62 CO -0.00 0.03 1.74 0.00 -0.10 0.00 0.00 175.22 176.89 1wez h ALA 63 N 4.70 0.64 -4.59 5.36 0.00 -1.87 -3.38 119.26 120.12 1wez h ALA 63 Ca -0.38 -0.12 -0.26 0.00 0.00 0.00 0.00 54.91 54.15 1wez h ALA 63 Cb 1.19 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1wez h ALA 63 CO 0.42 0.20 -0.16 0.25 0.00 0.00 0.00 179.25 179.96 1wez n THR 64 N -4.62 0.00 0.01 0.00 -2.24 -1.26 -4.82 114.28 101.35 1wez n THR 64 Ca 0.02 -0.95 -0.22 0.00 -2.27 0.00 0.00 64.05 60.63 1wez n THR 64 Cb 0.11 -0.04 -0.14 0.00 -2.10 0.00 0.00 70.33 68.16 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 0.85 0.48 -0.75 4.78 2.76 -1.95 -3.35 115.15 117.96 1wez h HIS 65 Ca -0.16 -0.35 0.15 0.00 -2.20 0.00 0.00 60.37 57.81 1wez h HIS 65 Cb 0.53 -0.02 -0.10 0.00 1.55 0.00 0.00 27.41 29.37 1wez h HIS 65 CO 0.00 1.68 0.27 0.93 -1.30 0.00 0.00 177.93 179.51 1wez h GLU 66 N -0.12 0.37 0.00 5.26 4.39 -1.97 1.41 114.58 123.93 1wez h GLU 66 Ca -0.37 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1wez h GLU 66 Cb 1.91 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.48 1wez h GLU 66 CO 0.07 0.25 0.00 -0.44 -1.16 0.00 0.00 179.01 177.73 1wez h ASP 67 N 0.38 0.00 0.00 1.42 5.19 -1.98 1.41 116.42 122.85 1wez h ASP 67 Ca 0.42 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.65 1wez h ASP 67 Cb 0.68 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.16 1wez h ASP 67 CO -0.44 0.00 -1.01 0.00 -3.12 0.00 0.00 179.24 174.67 1wez h ALA 68 N 2.01 0.21 0.00 3.45 0.00 0.16 -3.12 119.26 121.97 1wez h ALA 68 Ca 0.00 -1.07 -0.03 0.00 0.00 0.00 0.00 54.91 53.81 1wez h ALA 68 Cb 0.05 0.59 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1wez h ALA 68 CO 0.00 0.57 -0.14 0.28 0.00 0.00 0.00 179.25 179.95 1wez h VAL 69 N -0.99 0.41 -0.17 0.00 2.07 0.09 -2.33 116.25 115.33 1wez h VAL 69 Ca -0.28 -0.82 -0.20 0.00 0.82 0.00 0.00 66.70 66.22 1wez h VAL 69 Cb 1.25 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1wez h VAL 69 CO -0.17 0.14 -0.68 0.00 0.02 0.00 0.00 177.57 176.88 1wez h ALA 70 N 1.86 0.47 -0.19 1.67 0.00 0.18 -3.02 119.26 120.23 1wez h ALA 70 Ca -0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 54.91 54.23 1wez h ALA 70 Cb 0.58 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1wez h ALA 70 CO 0.02 0.70 -0.36 0.00 0.00 0.00 0.00 179.25 179.62 1wez h ALA 71 N 0.74 1.04 -0.39 0.00 0.00 -1.37 -2.52 119.26 116.76 1wez h ALA 71 Ca -0.02 -0.40 0.11 0.00 0.00 0.00 0.00 54.91 54.60 1wez h ALA 71 Cb 1.28 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1wez h ALA 71 CO 0.14 0.59 0.51 0.52 0.00 0.00 0.00 179.25 181.01 1wez h MET 72 N 0.34 0.00 -0.65 0.00 2.86 -1.29 0.34 114.93 116.53 1wez h MET 72 Ca 0.04 0.00 0.19 0.00 -2.06 0.00 0.00 59.70 57.87 1wez h MET 72 Cb 0.79 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.42 1wez h MET 72 CO 0.06 0.00 0.50 0.00 1.06 0.00 0.00 176.91 178.53 1wez h ALA 73 N 1.34 2.56 -0.77 6.32 0.00 -1.53 1.45 119.26 128.63 1wez h ALA 73 Ca 0.18 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.79 1wez h ALA 73 Cb 1.20 0.05 -0.17 0.00 0.00 0.00 0.00 17.79 18.88 1wez h ALA 73 CO -0.00 -0.84 0.35 1.63 0.00 0.00 0.00 179.25 180.40 1wez n LYS 74 N -4.19 3.28 -2.47 0.00 4.76 0.12 -4.89 118.16 114.77 1wez n LYS 74 Ca 0.13 -2.91 -0.41 0.00 -2.87 0.00 0.00 58.31 52.25 1wez n LYS 74 Cb 0.75 -2.17 -0.04 0.00 -1.84 0.00 0.00 35.03 31.74 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 -0.98 7.22 0.00 4.39 -4.77 0.50 -3.58 116.67 119.44 1wez s ASP 75 Ca 0.53 2.17 0.00 0.00 -3.30 0.00 0.00 52.55 51.95 1wez s ASP 75 Cb 0.43 -2.61 0.00 0.00 -1.09 0.00 0.00 42.92 39.65 1wez s ASP 75 CO 0.12 -0.24 0.00 0.29 0.70 0.00 0.00 175.17 176.04 1wez n LYS 76 N 2.13 0.00 -1.30 2.11 5.02 -1.14 -4.92 118.16 120.06 1wez n LYS 76 Ca 0.02 0.00 -0.51 0.00 -2.02 0.00 0.00 58.31 55.80 1wez n LYS 76 Cb 0.45 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.39 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 -1.91 -2.17 7.82 0.00 -1.24 -3.53 120.51 119.48 1wez n ALA 77 Ca 0.00 0.43 -0.43 0.00 0.00 0.00 0.00 53.44 53.44 1wez n ALA 77 Cb 0.00 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 17.96 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 1.35 6.39 0.43 0.00 4.22 -1.26 -4.37 114.94 121.70 1wez s ASN 78 Ca 0.78 1.48 0.15 0.00 -2.14 0.00 0.00 52.86 53.13 1wez s ASN 78 Cb -1.11 -2.53 1.04 0.00 1.28 0.00 0.00 41.25 39.92 1wez s ASN 78 CO 0.56 -1.27 1.94 -0.03 -2.04 0.00 0.00 177.10 176.26 1wez h MET 79 N 10.64 0.41 0.00 3.55 4.05 -1.85 -3.41 114.93 128.32 1wez h MET 79 Ca -0.32 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.08 1wez h MET 79 Cb 1.14 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.85 1wez h MET 79 CO 1.01 0.27 0.00 1.04 0.23 0.00 0.00 176.91 179.47 1wez n GLN 80 N -4.48 0.00 -0.33 0.39 6.02 -1.26 -5.00 117.38 112.73 1wez n GLN 80 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 1wez n GLN 80 Cb 0.48 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.74 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 -1.70 0.00 -4.29 1.08 1.44 -1.26 -5.09 115.22 105.40 1wez n HIS 81 Ca 0.00 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.53 1wez n HIS 81 Cb 0.00 0.04 -0.14 0.00 0.12 0.00 0.00 29.99 30.01 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 0.66 -0.66 -1.40 1.81 -1.26 -5.07 118.95 113.03 1wez s ARG 82 Ca 0.00 -0.39 -0.26 0.00 -1.72 0.00 0.00 55.73 53.36 1wez s ARG 82 Cb 0.00 -0.62 0.04 0.00 -0.45 0.00 0.00 34.95 33.92 1wez s ARG 82 CO 0.00 0.16 1.15 0.71 -0.68 0.00 0.00 175.30 176.64 1wez s TYR 83 N -0.39 2.51 0.11 -0.53 2.02 -1.26 -3.38 117.35 116.43 1wez s TYR 83 Ca 0.02 -0.04 -0.18 0.00 -0.37 0.00 0.00 57.07 56.50 1wez s TYR 83 Cb -0.04 -4.45 -0.07 0.00 -0.40 0.00 0.00 41.96 36.99 1wez s TYR 83 CO -0.00 -1.78 0.57 0.14 -1.57 0.00 0.00 175.55 172.92 1wez s VAL 84 N 4.97 4.77 -0.09 0.71 -7.23 -1.14 -4.73 120.40 117.65 1wez s VAL 84 Ca 0.33 1.09 -0.13 0.00 -1.81 0.00 0.00 61.98 61.46 1wez s VAL 84 Cb -0.10 -3.84 -0.05 0.00 0.56 0.00 0.00 36.38 32.95 1wez s VAL 84 CO 0.17 0.42 0.32 -1.61 -0.31 0.00 0.00 175.10 174.09 1wez s GLU 85 N -1.47 3.99 -0.12 4.82 0.41 0.55 -2.87 118.70 124.00 1wez s GLU 85 Ca 0.33 0.20 0.03 0.00 -0.41 0.00 0.00 54.97 55.11 1wez s GLU 85 Cb -0.18 -3.31 0.01 0.00 -1.78 0.00 0.00 34.13 28.87 1wez s GLU 85 CO 0.19 0.50 -0.21 -0.51 -0.49 0.00 0.00 175.26 174.74 1wez s LEU 86 N -0.36 2.02 -0.29 1.80 1.43 -1.26 -0.85 118.68 121.17 1wez s LEU 86 Ca 0.20 -0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1wez s LEU 86 Cb -0.14 -1.36 0.04 0.00 0.03 0.00 0.00 46.19 44.76 1wez s LEU 86 CO 0.08 0.08 -0.01 -0.36 0.23 0.00 0.00 176.35 176.37 1wez s PHE 87 N 0.74 3.21 -0.52 0.29 0.40 -0.61 -4.93 117.98 116.56 1wez s PHE 87 Ca -0.10 -1.73 -0.28 0.00 -0.60 0.00 0.00 56.93 54.22 1wez s PHE 87 Cb -0.16 -2.11 0.00 0.00 0.51 0.00 0.00 43.02 41.27 1wez s PHE 87 CO 0.01 -0.77 1.54 -1.17 0.70 0.00 0.00 175.22 175.52 1wez s LEU 88 N 1.29 3.42 -0.34 -0.37 2.96 -1.26 -1.36 118.68 123.01 1wez s LEU 88 Ca -0.03 0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 54.33 1wez s LEU 88 Cb -0.19 -3.08 0.07 0.00 0.50 0.00 0.00 46.19 43.49 1wez s LEU 88 CO -0.02 -1.79 0.08 0.20 -1.32 0.00 0.00 176.35 173.50 1wez s ASN 89 N 5.19 5.06 0.11 3.68 0.01 0.64 -5.01 114.94 124.62 1wez s ASN 89 Ca 0.59 -1.51 -0.03 0.00 -0.71 0.00 0.00 52.86 51.20 1wez s ASN 89 Cb -0.13 -1.77 -0.03 0.00 0.41 0.00 0.00 41.25 39.73 1wez s ASN 89 CO 0.26 -0.36 0.08 -0.55 -1.51 0.00 0.00 177.10 175.02 1wez s SER 90 N 1.45 0.29 -0.12 -1.22 0.15 -1.25 0.18 113.70 113.18 1wez s SER 90 Ca -0.00 -1.05 0.09 0.00 0.70 0.00 0.00 55.95 55.69 1wez s SER 90 Cb -0.21 0.30 -0.24 0.00 -1.71 0.00 0.00 66.02 64.17 1wez s SER 90 CO -0.02 -0.72 0.37 0.41 1.20 0.00 0.00 173.24 174.48 1wez n THR 91 N -0.06 1.58 -1.17 6.45 -1.04 -1.24 -4.94 114.28 113.86 1wez n THR 91 Ca -0.09 -0.76 0.14 0.00 -2.04 0.00 0.00 64.05 61.30 1wez n THR 91 Cb 0.63 -1.07 -0.05 0.00 -1.82 0.00 0.00 70.33 68.02 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 -2.76 -3.32 -2.54 2.41 0.00 -1.26 -4.84 120.51 108.20 1wez n ALA 92 Ca -0.27 0.48 -0.27 0.00 0.00 0.00 0.00 53.44 53.38 1wez n ALA 92 Cb 1.07 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 19.32 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 -5.95 1.68 -0.22 0.00 0.00 -1.26 -5.07 107.32 96.49 1wez s GLY 93 Ca 0.00 -0.66 -0.15 0.00 0.00 0.00 0.00 44.72 43.91 1wez s GLY 93 CO 0.00 -0.56 0.37 -0.51 0.00 0.00 0.00 173.10 172.40 1wez s THR 94 N -2.21 5.21 0.19 0.90 -4.23 -1.26 -5.07 115.64 109.17 1wez s THR 94 Ca 0.43 0.62 0.04 0.00 -1.18 0.00 0.00 61.69 61.61 1wez s THR 94 Cb -0.10 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 70.00 1wez s THR 94 CO 0.33 0.24 0.26 -0.94 -0.54 0.00 0.00 174.62 173.97 1wez s SER 95 N 1.17 6.04 -0.07 3.99 1.04 -1.26 -5.11 113.70 119.50 1wez s SER 95 Ca 0.17 0.02 -0.02 0.00 0.48 0.00 0.00 55.95 56.59 1wez s SER 95 Cb -0.15 -1.72 -0.04 0.00 0.10 0.00 0.00 66.02 64.21 1wez s SER 95 CO 0.08 0.01 0.05 -0.83 0.98 0.00 0.00 173.24 173.52 1wez s GLY 96 N -3.51 1.95 0.02 7.32 0.00 -1.26 -5.11 107.32 106.73 1wez s GLY 96 Ca 0.33 -0.79 -0.08 0.00 0.00 0.00 0.00 44.72 44.18 1wez s GLY 96 CO 0.27 -0.58 0.16 -0.45 0.00 0.00 0.00 173.10 172.50 1wez s SER 97 N -1.12 0.04 0.21 1.64 0.15 -1.26 -5.14 113.70 108.21 1wez s SER 97 Ca 0.16 -0.29 -0.30 0.00 0.70 0.00 0.00 55.95 56.22 1wez s SER 97 Cb -0.12 0.24 -0.09 0.00 -1.71 0.00 0.00 66.02 64.34 1wez s SER 97 CO 0.05 -0.45 1.25 -0.83 1.20 0.00 0.00 173.24 174.46 1wez s GLY 98 N -1.70 2.62 -0.00 9.45 0.00 -1.26 -4.98 107.32 111.45 1wez s GLY 98 Ca -0.11 1.04 -0.01 0.00 0.00 0.00 0.00 44.72 45.65 1wez s GLY 98 CO -0.01 1.93 0.26 -0.56 0.00 0.00 0.00 173.10 174.73 1wez h PRO 99 N 5.10 -0.02 -4.18 2.90 0.13 -2.06 -3.49 132.00 130.37 1wez h PRO 99 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 1wez h PRO 99 Cb 1.21 0.01 0.02 0.00 0.13 0.00 0.00 31.00 32.37 1wez h PRO 99 CO 0.75 -0.02 -0.07 0.45 -0.23 0.00 0.00 178.00 178.88 1wez n SER 100 N -2.22 -4.80 -3.97 1.44 2.88 -1.26 -5.08 113.62 100.61 1wez n SER 100 Ca -0.00 -0.09 -0.08 0.00 -1.33 0.00 0.00 58.87 57.37 1wez n SER 100 Cb 0.01 -3.10 -0.09 0.00 -0.75 0.00 0.00 64.21 60.28 1wez n SER 100 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wez s SER 101 N -2.61 0.28 0.00 -3.46 0.01 -1.26 -5.35 113.70 101.32 1wez s SER 101 Ca 0.04 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.56 1wez s SER 101 Cb -0.00 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.46 1wez s SER 101 CO 0.37 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 174.05