#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 -6.21 0.00 1.61 7.64 -1.26 -2.01 113.62 113.39 1wez n SER 2 Ca 0.00 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1wez n SER 2 Cb 0.00 -2.60 0.00 0.00 -1.01 0.00 0.00 64.21 60.60 1wez n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wez n SER 3 N -0.06 0.00 0.00 6.43 2.88 -1.26 -4.69 113.62 116.92 1wez n SER 3 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1wez n SER 3 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 1wez n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wez n GLY 4 N 0.00 4.72 3.65 0.46 0.00 -0.85 -5.18 105.19 107.99 1wez n GLY 4 Ca 0.00 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 1wez n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wez s SER 5 N 0.00 0.05 -0.28 1.61 0.01 -1.26 -4.92 113.70 108.91 1wez s SER 5 Ca 0.00 -0.99 -0.20 0.00 1.31 0.00 0.00 55.95 56.06 1wez s SER 5 Cb 0.00 0.66 0.12 0.00 0.21 0.00 0.00 66.02 67.01 1wez s SER 5 CO 0.00 -1.28 0.93 -0.44 0.41 0.00 0.00 173.24 172.86 1wez s SER 6 N -3.04 -0.57 0.00 2.44 0.01 -1.26 -4.95 113.70 106.33 1wez s SER 6 Ca 0.21 0.99 0.00 0.00 1.31 0.00 0.00 55.95 58.46 1wez s SER 6 Cb -0.02 1.13 0.00 0.00 0.21 0.00 0.00 66.02 67.34 1wez s SER 6 CO 0.11 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.20 1wez n GLY 7 N 3.13 1.42 3.45 3.44 0.00 -1.26 -5.18 105.19 110.19 1wez n GLY 7 Ca -0.16 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 -0.49 -0.08 1.61 0.15 -1.26 -5.18 113.70 108.44 1wez s SER 8 Ca 0.00 -0.00 -0.32 0.00 0.70 0.00 0.00 55.95 56.33 1wez s SER 8 Cb 0.00 0.51 0.12 0.00 -1.71 0.00 0.00 66.02 64.95 1wez s SER 8 CO 0.00 -0.83 1.21 -0.55 1.20 0.00 0.00 173.24 174.27 1wez s SER 9 N -2.64 -0.12 0.24 5.45 0.15 -1.26 -5.14 113.70 110.38 1wez s SER 9 Ca 0.03 -0.09 -0.30 0.00 0.70 0.00 0.00 55.95 56.29 1wez s SER 9 Cb -0.01 0.19 -0.10 0.00 -1.71 0.00 0.00 66.02 64.38 1wez s SER 9 CO -0.11 -0.32 1.46 0.12 1.20 0.00 0.00 173.24 175.59 1wez s PHE 10 N -2.51 3.00 -0.39 3.44 5.36 -1.26 -4.95 117.98 120.68 1wez s PHE 10 Ca 0.11 0.97 0.12 0.00 -0.96 0.00 0.00 56.93 57.18 1wez s PHE 10 Cb 0.02 -3.85 0.39 0.00 -0.34 0.00 0.00 43.02 39.24 1wez s PHE 10 CO -0.04 -2.81 0.87 0.94 -1.46 0.00 0.00 175.22 172.73 1wez n GLN 11 N 2.50 1.58 -3.12 10.12 7.27 -1.26 -5.01 117.38 129.45 1wez n GLN 11 Ca 0.08 -3.64 -0.10 0.00 0.07 0.00 0.00 57.00 53.41 1wez n GLN 11 Cb 0.40 -1.67 0.01 0.00 2.41 0.00 0.00 30.24 31.39 1wez n GLN 11 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1wez n SER 12 N 0.01 -6.81 0.00 1.69 3.41 -1.26 -5.01 113.62 105.65 1wez n SER 12 Ca 0.22 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.35 1wez n SER 12 Cb 0.68 -2.83 0.00 0.00 -0.26 0.00 0.00 64.21 61.81 1wez n SER 12 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1wez n THR 13 N 0.67 0.00 -0.30 6.66 -2.24 -1.26 -4.96 114.28 112.86 1wez n THR 13 Ca -0.01 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.91 1wez n THR 13 Cb 0.43 -0.72 0.31 0.00 -2.10 0.00 0.00 70.33 68.25 1wez n THR 13 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1wez h THR 14 N 0.00 0.32 0.00 4.28 1.35 -1.94 -3.46 112.91 113.46 1wez h THR 14 Ca 0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1wez h THR 14 Cb 0.00 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 66.49 1wez h THR 14 CO 0.00 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 1wez n GLY 15 N -1.37 3.74 3.60 5.82 0.00 -1.26 -4.90 105.19 110.82 1wez n GLY 15 Ca 0.22 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 1wez n GLY 15 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wez s HIS 16 N 0.00 2.18 -0.01 1.61 3.76 -1.26 -3.82 115.29 117.75 1wez s HIS 16 Ca 0.00 0.65 -0.04 0.00 -0.15 0.00 0.00 55.06 55.52 1wez s HIS 16 Cb 0.00 -4.23 -0.00 0.00 1.11 0.00 0.00 32.58 29.46 1wez s HIS 16 CO 0.00 -2.37 0.07 0.00 -0.85 0.00 0.00 174.74 171.60 1wez s VAL 18 N -0.84 1.46 0.51 0.00 1.01 0.49 -0.61 120.40 122.43 1wez s VAL 18 Ca -0.09 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 60.90 1wez s VAL 18 Cb -0.05 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1wez s VAL 18 CO 0.00 0.12 0.85 -2.28 0.00 0.00 0.00 175.10 173.80 1wez s HIS 19 N 1.47 3.57 0.07 5.22 2.46 -0.93 0.14 115.29 127.30 1wez s HIS 19 Ca -0.01 0.97 0.06 0.00 0.47 0.00 0.00 55.06 56.55 1wez s HIS 19 Cb -0.16 -2.43 -0.03 0.00 -0.13 0.00 0.00 32.58 29.83 1wez s HIS 19 CO -0.08 -0.38 -0.17 -1.64 -2.47 0.00 0.00 174.74 170.00 1wez s MET 20 N -4.79 1.00 -0.08 2.88 -1.94 0.62 -1.37 119.30 115.62 1wez s MET 20 Ca 0.50 -0.99 -0.11 0.00 -1.71 0.00 0.00 55.69 53.37 1wez s MET 20 Cb -0.10 -1.12 0.03 0.00 2.01 0.00 0.00 34.83 35.64 1wez s MET 20 CO 0.46 0.26 0.29 1.03 -0.01 0.00 0.00 175.02 177.06 1wez s ARG 21 N -1.64 0.45 -0.73 2.03 0.52 0.35 -2.39 118.95 117.54 1wez s ARG 21 Ca 0.03 0.18 -0.01 0.00 -0.52 0.00 0.00 55.73 55.41 1wez s ARG 21 Cb -0.10 0.21 -0.02 0.00 0.52 0.00 0.00 34.95 35.57 1wez s ARG 21 CO 0.03 -0.09 0.62 0.41 0.02 0.00 0.00 175.30 176.29 1wez n GLY 22 N 2.34 -0.20 3.88 -3.53 0.00 -0.49 0.23 105.19 107.43 1wez n GLY 22 Ca -0.16 0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 -4.70 4.12 0.64 0.99 1.43 0.56 -2.99 118.68 118.73 1wez s LEU 23 Ca 0.11 0.91 -0.13 0.00 -1.03 0.00 0.00 54.13 53.98 1wez s LEU 23 Cb -0.01 -3.69 -0.02 0.00 0.03 0.00 0.00 46.19 42.50 1wez s LEU 23 CO 0.47 -0.12 1.05 -2.16 0.23 0.00 0.00 176.35 175.82 1wez s PRO 24 N -3.03 3.17 0.35 1.29 0.04 -1.26 -4.53 135.00 131.03 1wez s PRO 24 Ca 0.47 1.06 0.07 0.00 0.04 0.00 0.00 61.00 62.64 1wez s PRO 24 Cb -0.11 -2.02 0.64 0.00 0.04 0.00 0.00 34.50 33.05 1wez s PRO 24 CO 0.23 -0.92 1.85 -0.92 0.04 0.00 0.00 177.00 177.28 1wez h TYR 25 N -0.12 0.36 -0.92 0.56 3.20 -1.97 -2.70 116.97 115.37 1wez h TYR 25 Ca -0.45 -0.05 -0.51 0.00 3.14 0.00 0.00 58.73 60.86 1wez h TYR 25 Cb 1.21 -0.10 -0.20 0.00 1.54 0.00 0.00 36.73 39.18 1wez h TYR 25 CO 0.61 0.49 0.61 0.54 -1.64 0.00 0.00 178.16 178.77 1wez n ARG 26 N -4.22 2.29 -3.91 1.82 5.12 -1.26 -4.85 116.66 111.65 1wez n ARG 26 Ca -0.00 -2.43 -0.35 0.00 -1.93 0.00 0.00 57.85 53.14 1wez n ARG 26 Cb 0.31 -1.99 -0.14 0.00 -1.16 0.00 0.00 32.46 29.48 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 -2.60 2.80 0.18 7.54 0.00 -1.02 -4.98 121.76 123.69 1wez s ALA 27 Ca 0.49 -1.58 0.08 0.00 0.00 0.00 0.00 51.96 50.95 1wez s ALA 27 Cb 0.37 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 1wez s ALA 27 CO -0.10 -1.01 -0.04 0.95 0.00 0.00 0.00 175.76 175.56 1wez s THR 28 N 1.33 3.50 0.40 0.00 -4.23 -1.26 -4.96 115.64 110.41 1wez s THR 28 Ca -0.01 -1.55 0.22 0.00 -1.18 0.00 0.00 61.69 59.16 1wez s THR 28 Cb -0.18 -2.76 0.41 0.00 1.34 0.00 0.00 72.50 71.31 1wez s THR 28 CO -0.02 -0.13 1.67 -0.33 -0.54 0.00 0.00 174.62 175.27 1wez h GLU 29 N 2.71 0.22 -0.82 3.99 5.08 -1.98 1.63 114.58 125.41 1wez h GLU 29 Ca -0.47 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 1wez h GLU 29 Cb 1.21 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 1wez h GLU 29 CO 0.57 0.15 0.45 -0.97 -1.00 0.00 0.00 179.01 178.20 1wez h ASN 30 N 0.23 1.03 -0.30 1.42 -0.73 -1.99 0.19 115.58 115.44 1wez h ASN 30 Ca 0.74 -0.10 -0.17 0.00 1.87 0.00 0.00 56.30 58.64 1wez h ASN 30 Cb 2.03 -0.26 -0.00 0.00 0.27 0.00 0.00 38.32 40.35 1wez h ASN 30 CO -0.46 0.84 -0.48 0.44 -0.37 0.00 0.00 177.43 177.40 1wez h ASP 31 N 1.15 0.94 0.15 1.15 3.32 0.18 -1.74 116.42 121.58 1wez h ASP 31 Ca 0.29 -0.52 -0.03 0.00 0.02 0.00 0.00 57.03 56.79 1wez h ASP 31 Cb 0.04 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 1wez h ASP 31 CO -0.05 1.28 -0.13 0.40 -1.72 0.00 0.00 179.24 179.02 1wez h ILE 32 N 0.63 1.01 -0.01 0.35 2.04 -0.05 1.49 117.51 122.97 1wez h ILE 32 Ca 0.02 -0.46 -0.26 0.00 1.00 0.00 0.00 64.86 65.16 1wez h ILE 32 Cb 1.09 1.25 0.02 0.00 -0.74 0.00 0.00 36.82 38.44 1wez h ILE 32 CO 0.11 0.13 -1.02 1.88 0.00 0.00 0.00 178.15 179.25 1wez h TYR 33 N 0.00 1.03 0.00 1.37 0.05 -0.33 -2.94 116.97 116.15 1wez h TYR 33 Ca -0.00 -0.55 0.00 0.00 0.05 0.00 0.00 58.73 58.23 1wez h TYR 33 Cb 0.24 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 37.86 1wez h TYR 33 CO 0.00 1.39 -0.40 -0.97 -1.05 0.00 0.00 178.16 177.13 1wez h ASN 34 N 0.40 0.00 1.72 3.88 -0.73 -0.62 -2.61 115.58 117.63 1wez h ASN 34 Ca -0.12 -0.10 0.00 0.00 1.87 0.00 0.00 56.30 57.95 1wez h ASN 34 Cb 1.67 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.26 1wez h ASN 34 CO 0.20 0.05 0.00 0.15 -0.37 0.00 0.00 177.43 177.46 1wez h PHE 35 N 0.00 0.00 -0.01 0.67 3.57 0.21 -3.18 116.94 118.21 1wez h PHE 35 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1wez h PHE 35 Cb 0.80 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.54 1wez h PHE 35 CO 0.00 0.00 -0.18 1.19 -2.23 0.00 0.00 178.31 177.09 1wez n PHE 36 N -2.85 0.00 -1.37 0.41 3.72 -1.12 -4.84 117.46 111.42 1wez n PHE 36 Ca 0.04 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.12 1wez n PHE 36 Cb 0.47 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.09 1wez n PHE 36 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1wez s SER 37 N -1.24 4.57 -0.25 4.37 0.15 -0.99 -3.72 113.70 116.60 1wez s SER 37 Ca 0.07 1.90 -0.29 0.00 0.70 0.00 0.00 55.95 58.33 1wez s SER 37 Cb 0.07 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.84 1wez s SER 37 CO 0.22 -1.99 1.32 -2.16 1.20 0.00 0.00 173.24 171.83 1wez s PRO 38 N -4.65 4.00 0.18 5.44 0.04 -1.26 -5.01 135.00 133.74 1wez s PRO 38 Ca 0.63 1.42 -0.24 0.00 0.04 0.00 0.00 61.00 62.85 1wez s PRO 38 Cb -0.19 -3.86 0.05 0.00 0.04 0.00 0.00 34.50 30.54 1wez s PRO 38 CO 0.52 -1.02 0.91 -0.51 0.04 0.00 0.00 177.00 176.94 1wez s LEU 39 N 4.20 -0.19 -0.35 -3.56 1.43 -1.24 -5.00 118.68 113.97 1wez s LEU 39 Ca 0.57 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 53.21 1wez s LEU 39 Cb -0.19 2.28 0.13 0.00 0.03 0.00 0.00 46.19 48.44 1wez s LEU 39 CO 0.21 -1.00 0.19 0.21 0.23 0.00 0.00 176.35 176.19 1wez s ASN 40 N -2.94 3.21 -0.13 2.29 2.47 -1.26 -4.99 114.94 113.59 1wez s ASN 40 Ca 0.12 -2.02 -0.29 0.00 0.42 0.00 0.00 52.86 51.09 1wez s ASN 40 Cb -0.02 -0.48 -0.02 0.00 -1.45 0.00 0.00 41.25 39.27 1wez s ASN 40 CO 0.03 -0.34 1.26 -2.16 -3.72 0.00 0.00 177.10 172.17 1wez s PRO 41 N 1.23 4.26 0.34 0.43 0.04 -1.26 -4.82 135.00 135.23 1wez s PRO 41 Ca 0.16 1.68 0.14 0.00 0.04 0.00 0.00 61.00 63.02 1wez s PRO 41 Cb -0.21 -3.71 1.12 0.00 0.04 0.00 0.00 34.50 31.74 1wez s PRO 41 CO -0.08 -0.64 1.55 -1.33 0.04 0.00 0.00 177.00 176.54 1wez n MET 42 N 6.20 -0.07 -3.56 4.56 2.81 0.54 -4.57 117.12 123.03 1wez n MET 42 Ca 0.13 1.40 -0.14 0.00 -1.81 0.00 0.00 57.70 57.28 1wez n MET 42 Cb 0.45 -2.40 -0.06 0.00 -0.71 0.00 0.00 33.22 30.50 1wez n MET 42 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1wez s ARG 43 N -5.67 0.79 -0.28 0.03 0.52 -1.24 -4.95 118.95 108.15 1wez s ARG 43 Ca -0.10 0.29 0.02 0.00 -0.52 0.00 0.00 55.73 55.42 1wez s ARG 43 Cb 0.32 0.38 0.08 0.00 0.52 0.00 0.00 34.95 36.24 1wez s ARG 43 CO 0.77 -0.23 -0.02 0.08 0.02 0.00 0.00 175.30 175.92 1wez s VAL 44 N -0.91 1.84 -0.01 3.52 1.01 -1.26 -2.09 120.40 122.49 1wez s VAL 44 Ca -0.05 -1.70 -0.22 0.00 0.00 0.00 0.00 61.98 60.02 1wez s VAL 44 Cb -0.01 -2.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 1wez s VAL 44 CO 0.04 -0.31 0.64 -2.28 0.00 0.00 0.00 175.10 173.19 1wez s HIS 45 N 1.20 3.67 -0.38 5.22 2.46 -0.08 -4.93 115.29 122.45 1wez s HIS 45 Ca 0.01 1.25 -0.04 0.00 0.47 0.00 0.00 55.06 56.74 1wez s HIS 45 Cb -0.19 -2.68 0.08 0.00 -0.13 0.00 0.00 32.58 29.66 1wez s HIS 45 CO -0.09 0.28 0.17 0.42 -2.47 0.00 0.00 174.74 173.05 1wez s ILE 46 N 0.04 3.48 -0.00 0.89 -1.09 -1.26 -2.00 121.20 121.26 1wez s ILE 46 Ca 0.33 -1.69 -0.30 0.00 -2.23 0.00 0.00 60.65 56.76 1wez s ILE 46 Cb -0.18 -3.21 -0.07 0.00 -1.58 0.00 0.00 42.46 37.42 1wez s ILE 46 CO 0.18 -0.49 1.66 -0.70 -1.23 0.00 0.00 174.94 174.37 1wez s GLU 47 N 1.25 4.19 -0.12 2.79 2.12 -0.95 -4.99 118.70 123.00 1wez s GLU 47 Ca 0.03 2.26 -0.02 0.00 0.36 0.00 0.00 54.97 57.60 1wez s GLU 47 Cb -0.22 -3.84 -0.03 0.00 0.26 0.00 0.00 34.13 30.30 1wez s GLU 47 CO -0.02 -0.80 -0.04 0.42 -0.54 0.00 0.00 175.26 174.29 1wez s ILE 48 N 3.49 3.90 0.00 -3.70 -1.09 -1.26 -1.25 121.20 121.28 1wez s ILE 48 Ca 0.74 -0.37 0.00 0.00 -2.23 0.00 0.00 60.65 58.79 1wez s ILE 48 Cb -0.36 -2.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.85 1wez s ILE 48 CO 0.31 0.54 0.00 0.61 -1.23 0.00 0.00 174.94 175.17 1wez n GLY 49 N 3.00 1.04 2.18 6.18 0.00 0.50 -4.31 105.19 113.78 1wez n GLY 49 Ca -0.18 0.00 -0.12 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 1.72 -3.10 1.61 -0.04 -1.25 -4.59 135.00 129.35 1wez n PRO 50 Ca 0.00 -0.92 -0.15 0.00 -0.04 0.00 0.00 63.50 62.38 1wez n PRO 50 Cb 0.00 -2.00 -0.03 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 2.84 -1.22 0.10 3.54 8.00 -1.26 -4.18 116.55 124.38 1wez n ASP 51 Ca 0.37 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.71 1wez n ASP 51 Cb 0.60 -1.13 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 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 -0.67 -1.10 3.88 0.44 0.00 -1.26 -5.03 105.19 101.46 1wez n GLY 52 Ca 0.04 0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 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 3.75 0.56 1.61 0.52 -1.26 -4.90 118.95 117.23 1wez s ARG 53 Ca 0.00 0.20 -0.14 0.00 -0.52 0.00 0.00 55.73 55.27 1wez s ARG 53 Cb 0.00 -2.65 -0.06 0.00 0.52 0.00 0.00 34.95 32.76 1wez s ARG 53 CO 0.00 0.29 1.00 0.14 0.02 0.00 0.00 175.30 176.76 1wez s VAL 54 N -1.88 4.59 -0.13 3.52 -7.23 -1.26 0.19 120.40 118.19 1wez s VAL 54 Ca 0.46 1.09 0.18 0.00 -1.81 0.00 0.00 61.98 61.90 1wez s VAL 54 Cb -0.11 -3.77 -0.24 0.00 0.56 0.00 0.00 36.38 32.82 1wez s VAL 54 CO 0.24 -0.86 0.40 0.35 -0.31 0.00 0.00 175.10 174.91 1wez n THR 55 N -2.02 1.11 0.00 5.32 -2.24 -0.38 -4.49 114.28 111.57 1wez n THR 55 Ca 0.06 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1wez n THR 55 Cb 0.54 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 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 1.55 0.94 3.66 3.38 0.00 -1.26 -4.78 105.19 108.69 1wez n GLY 56 Ca -0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 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 2.41 -0.21 1.61 2.02 -1.26 -0.33 118.70 122.51 1wez s GLU 57 Ca 0.00 -1.11 -0.23 0.00 0.02 0.00 0.00 54.97 53.65 1wez s GLU 57 Cb 0.00 -2.36 0.06 0.00 0.10 0.00 0.00 34.13 31.94 1wez s GLU 57 CO 0.00 0.45 0.63 0.00 0.02 0.00 0.00 175.26 176.37 1wez s ALA 58 N -1.74 -1.57 -0.21 5.21 0.00 -1.01 -2.23 121.76 120.21 1wez s ALA 58 Ca 0.28 1.70 -0.06 0.00 0.00 0.00 0.00 51.96 53.88 1wez s ALA 58 Cb -0.09 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 1wez s ALA 58 CO 0.19 -0.31 0.03 -0.51 0.00 0.00 0.00 175.76 175.16 1wez s ASP 59 N 0.13 5.03 -0.08 0.00 1.01 -0.85 0.23 116.67 122.14 1wez s ASP 59 Ca -0.02 -0.16 0.01 0.00 0.71 0.00 0.00 52.55 53.09 1wez s ASP 59 Cb -0.04 -1.87 -0.03 0.00 1.01 0.00 0.00 42.92 41.99 1wez s ASP 59 CO 0.02 0.06 -0.09 -0.69 0.21 0.00 0.00 175.17 174.68 1wez s VAL 60 N 1.06 3.53 0.01 -1.27 1.01 0.37 -0.90 120.40 124.21 1wez s VAL 60 Ca 0.03 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.55 1wez s VAL 60 Cb -0.14 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1wez s VAL 60 CO 0.02 0.58 -0.22 -0.70 0.00 0.00 0.00 175.10 174.78 1wez s GLU 61 N -0.57 2.08 0.02 2.72 2.56 -0.89 0.19 118.70 124.81 1wez s GLU 61 Ca 0.08 -0.96 0.02 0.00 0.00 0.00 0.00 54.97 54.11 1wez s GLU 61 Cb -0.12 -2.13 -0.02 0.00 2.00 0.00 0.00 34.13 33.87 1wez s GLU 61 CO 0.02 0.55 -0.06 -0.06 -0.56 0.00 0.00 175.26 175.15 1wez s PHE 62 N -0.78 0.52 0.02 5.30 0.08 0.14 0.20 117.98 123.47 1wez s PHE 62 Ca 0.12 -0.33 -0.26 0.00 0.12 0.00 0.00 56.93 56.58 1wez s PHE 62 Cb -0.10 -0.32 -0.17 0.00 -0.57 0.00 0.00 43.02 41.86 1wez s PHE 62 CO 0.02 -0.06 1.38 0.00 -0.10 0.00 0.00 175.22 176.45 1wez h ALA 63 N 5.12 -0.31 -6.18 5.36 0.00 -1.88 -3.36 119.26 118.01 1wez h ALA 63 Ca -0.32 -0.16 -0.50 0.00 0.00 0.00 0.00 54.91 53.93 1wez h ALA 63 Cb 1.20 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1wez h ALA 63 CO 0.44 -0.54 -0.15 0.25 0.00 0.00 0.00 179.25 179.26 1wez n THR 64 N -5.11 0.00 0.02 0.00 -2.24 -1.26 -4.77 114.28 100.93 1wez n THR 64 Ca -0.09 -1.95 -0.21 0.00 -2.27 0.00 0.00 64.05 59.53 1wez n THR 64 Cb 0.23 -0.33 -0.14 0.00 -2.10 0.00 0.00 70.33 67.98 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 0.33 0.47 -0.54 4.78 2.76 -1.96 -3.35 115.15 117.64 1wez h HIS 65 Ca -0.29 -0.34 0.11 0.00 -2.20 0.00 0.00 60.37 57.64 1wez h HIS 65 Cb 1.20 -0.02 -0.11 0.00 1.55 0.00 0.00 27.41 30.04 1wez h HIS 65 CO 0.00 1.43 -0.22 0.93 -1.30 0.00 0.00 177.93 178.77 1wez h GLU 66 N -0.37 -0.09 -0.31 5.26 4.39 -1.99 1.31 114.58 122.79 1wez h GLU 66 Ca -0.23 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.57 1wez h GLU 66 Cb 1.68 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.34 1wez h GLU 66 CO 0.09 -0.06 0.51 0.22 -1.16 0.00 0.00 179.01 178.62 1wez h ASP 67 N -0.09 0.00 0.01 1.42 1.82 -1.99 0.48 116.42 118.07 1wez h ASP 67 Ca 0.25 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.89 1wez h ASP 67 Cb 0.48 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.49 1wez h ASP 67 CO -0.60 0.00 -0.01 0.00 -1.61 0.00 0.00 179.24 177.02 1wez h ALA 68 N 1.26 -0.04 -1.11 -0.78 0.00 0.15 -2.79 119.26 115.96 1wez h ALA 68 Ca 0.15 -0.00 0.31 0.00 0.00 0.00 0.00 54.91 55.36 1wez h ALA 68 Cb 1.17 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 1wez h ALA 68 CO -0.00 -0.03 0.73 0.28 0.00 0.00 0.00 179.25 180.23 1wez h VAL 69 N -0.34 0.45 0.46 0.00 2.07 -0.37 0.31 116.25 118.82 1wez h VAL 69 Ca -0.00 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1wez h VAL 69 Cb 0.01 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1wez h VAL 69 CO 0.00 0.05 -0.22 0.00 0.02 0.00 0.00 177.57 177.42 1wez h ALA 70 N 1.57 -0.61 -0.93 1.67 0.00 -0.18 -2.28 119.26 118.49 1wez h ALA 70 Ca 0.62 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.51 1wez h ALA 70 Cb 1.81 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 19.76 1wez h ALA 70 CO -0.25 -0.82 0.59 0.00 0.00 0.00 0.00 179.25 178.78 1wez h ALA 71 N -0.14 1.72 0.00 0.00 0.00 -0.18 0.82 119.26 121.48 1wez h ALA 71 Ca -0.06 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1wez h ALA 71 Cb 0.50 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1wez h ALA 71 CO 0.10 0.03 0.00 -1.33 0.00 0.00 0.00 179.25 178.06 1wez n MET 72 N -4.59 0.04 0.32 0.00 2.81 -0.21 -2.38 117.12 113.13 1wez n MET 72 Ca 0.18 0.31 0.16 0.00 -1.81 0.00 0.00 57.70 56.54 1wez n MET 72 Cb 0.43 -1.50 0.84 0.00 -0.71 0.00 0.00 33.22 32.28 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 2.30 1.36 -0.45 3.04 0.00 0.10 1.73 119.26 127.34 1wez h ALA 73 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1wez h ALA 73 Cb 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1wez h ALA 73 CO 0.00 -0.33 0.07 1.63 0.00 0.00 0.00 179.25 180.62 1wez n LYS 74 N -2.95 3.07 -1.52 0.00 4.76 -1.00 -4.97 118.16 115.55 1wez n LYS 74 Ca -0.02 -3.01 -0.31 0.00 -2.87 0.00 0.00 58.31 52.10 1wez n LYS 74 Cb 0.37 -1.98 -0.12 0.00 -1.84 0.00 0.00 35.03 31.46 1wez n LYS 74 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1wez n ASP 75 N -0.46 0.74 -1.35 4.39 5.68 0.59 0.56 116.55 126.70 1wez n ASP 75 Ca 0.30 -0.43 -0.02 0.00 -0.50 0.00 0.00 54.79 54.15 1wez n ASP 75 Cb 1.09 -1.15 0.01 0.00 -1.14 0.00 0.00 41.12 39.94 1wez n ASP 75 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1wez n LYS 76 N 8.09 -0.53 -4.65 0.11 4.01 -0.99 -4.92 118.16 119.28 1wez n LYS 76 Ca 0.55 0.08 -0.34 0.00 -0.51 0.00 0.00 58.31 58.10 1wez n LYS 76 Cb 0.26 -2.59 -0.12 0.00 -0.51 0.00 0.00 35.03 32.08 1wez n LYS 76 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1wez s ALA 77 N -3.04 2.93 -0.66 7.82 0.00 0.19 -4.86 121.76 124.15 1wez s ALA 77 Ca 0.01 -0.90 -0.26 0.00 0.00 0.00 0.00 51.96 50.82 1wez s ALA 77 Cb -0.00 -1.22 -0.05 0.00 0.00 0.00 0.00 23.12 21.85 1wez s ALA 77 CO 0.07 0.54 2.08 1.21 0.00 0.00 0.00 175.76 179.66 1wez s ASN 78 N -0.69 4.87 -0.00 0.00 3.84 -1.26 -3.95 114.94 117.75 1wez s ASN 78 Ca 0.11 0.28 -0.24 0.00 0.21 0.00 0.00 52.86 53.22 1wez s ASN 78 Cb -0.11 -2.53 -0.16 0.00 -0.55 0.00 0.00 41.25 37.90 1wez s ASN 78 CO 0.02 -2.76 1.13 -0.03 -2.79 0.00 0.00 177.10 172.67 1wez h MET 79 N 15.12 -0.46 0.00 0.43 1.85 -1.94 -3.45 114.93 126.47 1wez h MET 79 Ca -0.15 0.03 0.00 0.00 -0.61 0.00 0.00 59.70 58.97 1wez h MET 79 Cb 1.14 0.11 0.00 0.00 0.43 0.00 0.00 31.60 33.27 1wez h MET 79 CO 1.18 -0.14 0.00 1.04 -0.40 0.00 0.00 176.91 178.58 1wez n GLN 80 N -5.15 0.00 -0.33 0.39 1.13 -1.26 -4.97 117.38 107.18 1wez n GLN 80 Ca -0.09 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.97 1wez n GLN 80 Cb 0.28 -0.02 0.00 0.00 0.11 0.00 0.00 30.24 30.60 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 -2.55 0.00 -4.20 1.08 1.44 -1.26 -5.11 115.22 104.61 1wez n HIS 81 Ca 0.00 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.57 1wez n HIS 81 Cb 0.00 0.05 -0.09 0.00 0.12 0.00 0.00 29.99 30.08 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 1.47 -0.32 -1.40 1.81 -1.26 -5.07 118.95 114.18 1wez s ARG 82 Ca 0.00 -1.74 -0.03 0.00 -1.72 0.00 0.00 55.73 52.24 1wez s ARG 82 Cb 0.00 0.32 0.05 0.00 -0.45 0.00 0.00 34.95 34.87 1wez s ARG 82 CO 0.00 -0.53 0.04 0.71 -0.68 0.00 0.00 175.30 174.84 1wez s TYR 83 N -3.82 3.29 0.02 -0.53 2.02 -1.26 -2.95 117.35 114.13 1wez s TYR 83 Ca 0.38 -1.83 -0.18 0.00 -0.37 0.00 0.00 57.07 55.07 1wez s TYR 83 Cb 0.04 -2.24 -0.06 0.00 -0.40 0.00 0.00 41.96 39.31 1wez s TYR 83 CO 0.18 -0.80 0.50 0.14 -1.57 0.00 0.00 175.55 173.99 1wez s VAL 84 N 1.27 4.91 -0.16 0.71 -7.23 -1.16 -4.64 120.40 114.09 1wez s VAL 84 Ca -0.03 1.05 -0.14 0.00 -1.81 0.00 0.00 61.98 61.05 1wez s VAL 84 Cb -0.20 -3.82 -0.05 0.00 0.56 0.00 0.00 36.38 32.87 1wez s VAL 84 CO -0.01 0.53 0.28 -1.61 -0.31 0.00 0.00 175.10 173.99 1wez s GLU 85 N -0.86 4.25 -0.15 4.82 8.01 0.63 -2.35 118.70 133.05 1wez s GLU 85 Ca 0.27 0.07 -0.05 0.00 0.01 0.00 0.00 54.97 55.27 1wez s GLU 85 Cb -0.18 -3.43 -0.03 0.00 -4.31 0.00 0.00 34.13 26.18 1wez s GLU 85 CO 0.16 0.24 0.01 -0.51 0.01 0.00 0.00 175.26 175.17 1wez s LEU 86 N 0.47 3.56 -0.30 1.80 2.01 -1.26 -0.49 118.68 124.46 1wez s LEU 86 Ca 0.16 0.02 -0.02 0.00 0.01 0.00 0.00 54.13 54.29 1wez s LEU 86 Cb -0.13 -1.87 0.05 0.00 0.01 0.00 0.00 46.19 44.25 1wez s LEU 86 CO 0.03 0.22 0.01 -0.36 1.01 0.00 0.00 176.35 177.26 1wez s PHE 87 N 0.10 3.24 -0.27 0.29 0.40 -0.47 -4.90 117.98 116.36 1wez s PHE 87 Ca 0.02 -1.77 -0.29 0.00 -0.60 0.00 0.00 56.93 54.29 1wez s PHE 87 Cb -0.13 -2.12 -0.02 0.00 0.51 0.00 0.00 43.02 41.26 1wez s PHE 87 CO 0.02 -0.78 1.59 -1.17 0.70 0.00 0.00 175.22 175.57 1wez s LEU 88 N 1.28 3.79 -0.27 -0.37 2.96 -1.26 -2.19 118.68 122.62 1wez s LEU 88 Ca -0.04 1.43 -0.00 0.00 -0.22 0.00 0.00 54.13 55.29 1wez s LEU 88 Cb -0.19 -3.53 0.08 0.00 0.50 0.00 0.00 46.19 43.04 1wez s LEU 88 CO -0.01 -1.34 0.04 0.20 -1.32 0.00 0.00 176.35 173.92 1wez s ASN 89 N 4.37 3.87 0.21 3.68 0.01 0.22 -5.03 114.94 122.28 1wez s ASN 89 Ca 0.70 -1.42 -0.04 0.00 -0.71 0.00 0.00 52.86 51.38 1wez s ASN 89 Cb -0.22 -1.01 -0.03 0.00 0.41 0.00 0.00 41.25 40.40 1wez s ASN 89 CO 0.30 -0.34 0.23 -0.55 -1.51 0.00 0.00 177.10 175.23 1wez s SER 90 N 1.50 0.08 -0.21 -1.22 0.15 -1.25 0.19 113.70 112.94 1wez s SER 90 Ca 0.03 -1.25 0.12 0.00 0.70 0.00 0.00 55.95 55.55 1wez s SER 90 Cb -0.18 0.44 -0.22 0.00 -1.71 0.00 0.00 66.02 64.35 1wez s SER 90 CO -0.14 -0.92 -0.03 0.41 1.20 0.00 0.00 173.24 173.76 1wez n THR 91 N -0.30 1.38 -1.07 6.45 -1.04 -1.26 -4.92 114.28 113.53 1wez n THR 91 Ca 0.01 -0.74 0.14 0.00 -2.04 0.00 0.00 64.05 61.42 1wez n THR 91 Cb 0.65 -0.78 -0.04 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 -2.90 -3.30 -3.05 2.41 0.00 -1.26 -4.92 120.51 107.50 1wez n ALA 92 Ca -0.36 0.34 -0.01 0.00 0.00 0.00 0.00 53.44 53.41 1wez n ALA 92 Cb 1.08 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -3.27 2.03 2.41 0.00 0.00 -1.26 -5.08 105.19 100.02 1wez n GLY 93 Ca 0.01 -2.14 -0.25 0.00 0.00 0.00 0.00 46.02 43.64 1wez n GLY 93 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wez n THR 94 N -1.03 1.15 0.14 2.61 5.66 -1.26 -4.93 114.28 116.61 1wez n THR 94 Ca 0.01 -4.82 -0.06 0.00 -3.05 0.00 0.00 64.05 56.13 1wez n THR 94 Cb 0.04 -1.61 -0.03 0.00 -1.55 0.00 0.00 70.33 67.17 1wez n THR 94 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1wez h SER 95 N 3.70 -0.34 -4.71 1.09 0.02 -2.02 -3.50 113.55 107.78 1wez h SER 95 Ca 0.13 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1wez h SER 95 Cb 0.75 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1wez h SER 95 CO 0.66 -0.04 0.00 0.61 -1.14 0.00 0.00 176.83 176.92 1wez n GLY 96 N 0.44 0.65 2.12 -3.77 0.00 -1.26 -5.06 105.19 98.32 1wez n GLY 96 Ca -0.05 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.76 1wez n GLY 96 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wez n SER 97 N 0.86 -2.26 0.00 1.61 3.41 -1.26 -5.18 113.62 110.80 1wez n SER 97 Ca 0.00 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 1wez n SER 97 Cb 0.00 2.26 0.00 0.00 -0.26 0.00 0.00 64.21 66.21 1wez n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wez n GLY 98 N -0.82 1.02 3.75 5.00 0.00 -1.26 -5.00 105.19 107.89 1wez n GLY 98 Ca 0.00 -1.60 -0.40 0.00 0.00 0.00 0.00 46.02 44.02 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 -4.31 4.65 0.23 1.61 0.04 -1.26 -4.83 135.00 131.13 1wez s PRO 99 Ca 0.00 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1wez s PRO 99 Cb 0.00 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.33 1wez s PRO 99 CO 0.00 0.22 0.00 0.43 0.04 0.00 0.00 177.00 177.69 1wez n SER 100 N 1.38 -2.08 -4.74 6.66 7.64 -1.26 -5.12 113.62 116.10 1wez n SER 100 Ca -0.01 0.45 -0.41 0.00 1.01 0.00 0.00 58.87 59.92 1wez n SER 100 Cb 0.45 2.18 -0.05 0.00 -1.01 0.00 0.00 64.21 65.78 1wez n SER 100 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wez s SER 101 N -1.52 7.47 0.00 6.43 0.01 -1.26 -5.36 113.70 119.47 1wez s SER 101 Ca 0.00 1.99 0.07 0.00 1.31 0.00 0.00 55.95 59.32 1wez s SER 101 Cb 0.00 -2.61 0.06 0.00 0.21 0.00 0.00 66.02 63.68 1wez s SER 101 CO 0.00 -0.02 0.73 0.61 0.41 0.00 0.00 173.24 174.96