#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 -6.52 -0.04 1.61 7.64 -1.26 -4.99 113.62 110.05 1wez n SER 2 Ca 0.00 0.96 -0.08 0.00 1.01 0.00 0.00 58.87 60.76 1wez n SER 2 Cb 0.00 -3.36 -0.03 0.00 -1.01 0.00 0.00 64.21 59.82 1wez n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wez n SER 3 N 1.29 1.49 -3.65 6.43 7.64 -1.26 -5.11 113.62 120.45 1wez n SER 3 Ca -0.05 0.24 -0.02 0.00 1.01 0.00 0.00 58.87 60.05 1wez n SER 3 Cb 0.28 -0.55 -0.06 0.00 -1.01 0.00 0.00 64.21 62.87 1wez n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wez s GLY 4 N -4.69 0.27 0.00 0.23 0.00 -1.26 -5.02 107.32 96.85 1wez s GLY 4 Ca -0.18 3.28 0.00 0.00 0.00 0.00 0.00 44.72 47.82 1wez s GLY 4 CO 0.26 1.55 0.00 1.44 0.00 0.00 0.00 173.10 176.35 1wez n SER 5 N 1.03 0.00 -4.85 1.64 7.64 -1.26 -4.85 113.62 112.97 1wez n SER 5 Ca -0.05 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.51 1wez n SER 5 Cb 0.58 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.73 1wez n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wez s SER 6 N 0.00 6.73 0.00 6.43 1.04 -1.26 -5.03 113.70 121.61 1wez s SER 6 Ca 0.00 1.31 0.00 0.00 0.48 0.00 0.00 55.95 57.74 1wez s SER 6 Cb 0.00 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1wez s SER 6 CO 0.00 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1wez n GLY 7 N -0.68 2.17 3.18 7.32 0.00 -1.26 -4.33 105.19 111.59 1wez n GLY 7 Ca 0.04 -0.41 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 1wez n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wez s SER 8 N 2.00 1.94 0.43 1.61 1.04 -1.26 -5.07 113.70 114.40 1wez s SER 8 Ca 0.00 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1wez s SER 8 Cb 0.00 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.99 1wez s SER 8 CO 0.00 0.06 0.00 -0.24 0.98 0.00 0.00 173.24 174.04 1wez n SER 9 N 1.79 -5.60 0.33 7.02 2.88 -1.26 -4.67 113.62 114.11 1wez n SER 9 Ca -0.18 1.00 -0.16 0.00 -1.33 0.00 0.00 58.87 58.20 1wez n SER 9 Cb 0.54 -3.49 -0.08 0.00 -0.75 0.00 0.00 64.21 60.43 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 -1.00 -0.78 -6.25 0.66 3.57 -2.06 -3.48 116.94 107.60 1wez h PHE 10 Ca -0.13 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.30 1wez h PHE 10 Cb 0.98 0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.98 1wez h PHE 10 CO 0.03 -0.44 -1.02 1.04 -2.23 0.00 0.00 178.31 175.69 1wez n GLN 11 N -5.40 -0.83 -1.60 1.11 1.13 -1.26 -4.54 117.38 105.99 1wez n GLN 11 Ca -0.12 1.08 -0.63 0.00 -1.94 0.00 0.00 57.00 55.38 1wez n GLN 11 Cb 0.36 -1.64 -0.10 0.00 0.11 0.00 0.00 30.24 28.97 1wez n GLN 11 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1wez n SER 12 N 1.02 1.37 -0.26 1.08 2.88 -1.26 -4.80 113.62 113.64 1wez n SER 12 Ca -0.01 0.99 -0.06 0.00 -1.33 0.00 0.00 58.87 58.46 1wez n SER 12 Cb 0.47 -0.96 0.05 0.00 -0.75 0.00 0.00 64.21 63.03 1wez n SER 12 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1wez h THR 13 N 5.68 1.24 0.00 2.46 1.35 -2.01 -3.43 112.91 118.21 1wez h THR 13 Ca -0.35 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 1wez h THR 13 Cb 1.37 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 1wez h THR 13 CO 1.01 0.29 0.00 0.35 -0.25 0.00 0.00 175.52 176.91 1wez n THR 14 N -4.40 0.00 0.00 6.82 -2.24 -1.26 -5.07 114.28 108.13 1wez n THR 14 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1wez n THR 14 Cb 0.14 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 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 -0.45 3.30 3.61 3.38 0.00 -1.26 -4.89 105.19 108.88 1wez n GLY 15 Ca 0.00 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 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 2.57 0.17 1.61 3.76 -1.26 -3.44 115.29 118.69 1wez s HIS 16 Ca 0.00 0.76 -0.02 0.00 -0.15 0.00 0.00 55.06 55.64 1wez s HIS 16 Cb 0.00 -4.18 -0.03 0.00 1.11 0.00 0.00 32.58 29.48 1wez s HIS 16 CO 0.00 -1.78 0.13 0.00 -0.85 0.00 0.00 174.74 172.25 1wez s VAL 18 N -4.08 -0.10 0.17 0.00 1.01 0.39 -1.60 120.40 116.18 1wez s VAL 18 Ca 0.29 0.35 -0.16 0.00 0.00 0.00 0.00 61.98 62.46 1wez s VAL 18 Cb 0.06 -0.14 -0.07 0.00 0.00 0.00 0.00 36.38 36.23 1wez s VAL 18 CO 0.06 0.14 0.61 -2.28 0.00 0.00 0.00 175.10 173.63 1wez s HIS 19 N 1.78 3.62 -0.01 5.22 2.46 -1.03 0.96 115.29 128.27 1wez s HIS 19 Ca -0.00 1.16 0.07 0.00 0.47 0.00 0.00 55.06 56.76 1wez s HIS 19 Cb -0.12 -2.45 -0.02 0.00 -0.13 0.00 0.00 32.58 29.86 1wez s HIS 19 CO -0.03 0.39 -0.23 -1.64 -2.47 0.00 0.00 174.74 170.76 1wez s MET 20 N -1.98 1.84 0.03 2.88 -1.94 0.52 -2.10 119.30 118.54 1wez s MET 20 Ca 0.40 -0.84 -0.15 0.00 -1.71 0.00 0.00 55.69 53.39 1wez s MET 20 Cb -0.15 -1.80 0.02 0.00 2.01 0.00 0.00 34.83 34.91 1wez s MET 20 CO 0.20 0.49 0.32 1.03 -0.01 0.00 0.00 175.02 177.05 1wez s ARG 21 N -0.61 0.78 -1.07 2.03 0.52 -0.15 -1.18 118.95 119.27 1wez s ARG 21 Ca 0.09 -0.39 -0.03 0.00 -0.52 0.00 0.00 55.73 54.88 1wez s ARG 21 Cb -0.09 0.34 -0.03 0.00 0.52 0.00 0.00 34.95 35.69 1wez s ARG 21 CO -0.01 -0.24 0.91 0.41 0.02 0.00 0.00 175.30 176.39 1wez n GLY 22 N 0.77 -0.68 3.92 -3.53 0.00 0.62 0.21 105.19 106.49 1wez n GLY 22 Ca -0.19 0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -5.73 4.07 0.58 0.99 1.43 0.27 -2.66 118.68 117.63 1wez s LEU 23 Ca 0.21 0.57 -0.16 0.00 -1.03 0.00 0.00 54.13 53.72 1wez s LEU 23 Cb -0.03 -3.40 -0.04 0.00 0.03 0.00 0.00 46.19 42.75 1wez s LEU 23 CO 0.70 -0.21 1.05 -2.16 0.23 0.00 0.00 176.35 175.96 1wez s PRO 24 N -3.78 3.41 0.31 1.29 0.04 -1.26 -4.58 135.00 130.44 1wez s PRO 24 Ca 0.42 1.18 0.04 0.00 0.04 0.00 0.00 61.00 62.67 1wez s PRO 24 Cb -0.10 -2.05 0.53 0.00 0.04 0.00 0.00 34.50 32.92 1wez s PRO 24 CO 0.32 -0.74 1.81 1.88 0.04 0.00 0.00 177.00 180.31 1wez h TYR 25 N 0.53 0.51 -0.81 0.56 0.05 -1.99 -2.63 116.97 113.18 1wez h TYR 25 Ca -0.47 -0.08 -0.53 0.00 0.05 0.00 0.00 58.73 57.71 1wez h TYR 25 Cb 1.22 -0.14 -0.22 0.00 1.01 0.00 0.00 36.73 38.60 1wez h TYR 25 CO 0.59 0.59 0.67 0.54 -1.05 0.00 0.00 178.16 179.51 1wez n ARG 26 N -4.21 2.31 -4.16 4.88 1.74 -1.26 -4.88 116.66 111.08 1wez n ARG 26 Ca 0.00 -2.53 -0.34 0.00 -0.77 0.00 0.00 57.85 54.21 1wez n ARG 26 Cb 0.32 -2.00 -0.14 0.00 -1.02 0.00 0.00 32.46 29.62 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 -2.91 2.78 0.21 7.54 0.00 -1.00 -5.05 121.76 123.33 1wez s ALA 27 Ca 0.50 -1.07 0.10 0.00 0.00 0.00 0.00 51.96 51.49 1wez s ALA 27 Cb 0.39 -1.57 -0.05 0.00 0.00 0.00 0.00 23.12 21.90 1wez s ALA 27 CO -0.03 -0.20 -0.19 -0.08 0.00 0.00 0.00 175.76 175.26 1wez s THR 28 N 1.09 2.04 0.22 0.00 -1.32 -1.26 -4.96 115.64 111.45 1wez s THR 28 Ca 0.01 -2.13 -0.19 0.00 -1.21 0.00 0.00 61.69 58.17 1wez s THR 28 Cb -0.15 -2.05 0.20 0.00 -1.51 0.00 0.00 72.50 69.00 1wez s THR 28 CO -0.01 -0.38 1.56 -0.33 -2.21 0.00 0.00 174.62 173.25 1wez h GLU 29 N 2.83 -0.04 -1.00 7.08 5.08 -1.97 1.39 114.58 127.95 1wez h GLU 29 Ca -0.41 0.00 0.38 0.00 -1.00 0.00 0.00 59.36 58.33 1wez h GLU 29 Cb 1.22 0.01 -0.17 0.00 0.50 0.00 0.00 28.75 30.31 1wez h GLU 29 CO 0.56 -0.02 0.50 -0.91 -1.00 0.00 0.00 179.01 178.13 1wez h ASN 30 N -0.04 0.30 -0.02 1.42 4.21 -1.99 1.17 115.58 120.63 1wez h ASN 30 Ca 0.31 0.24 -0.06 0.00 1.21 0.00 0.00 56.30 58.00 1wez h ASN 30 Cb 0.58 0.25 0.00 0.00 -1.12 0.00 0.00 38.32 38.03 1wez h ASN 30 CO -0.92 -0.34 -0.23 0.44 -1.29 0.00 0.00 177.43 175.08 1wez h ASP 31 N 0.09 0.24 0.00 5.81 3.32 0.13 -2.57 116.42 123.45 1wez h ASP 31 Ca 0.79 -0.71 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1wez h ASP 31 Cb 1.99 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 41.47 1wez h ASP 31 CO -0.73 0.92 0.11 0.40 -1.72 0.00 0.00 179.24 178.21 1wez h ILE 32 N -0.41 0.00 0.21 0.35 2.04 0.33 1.19 117.51 121.21 1wez h ILE 32 Ca -0.02 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.49 1wez h ILE 32 Cb 0.93 0.75 0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1wez h ILE 32 CO 0.05 0.00 -1.69 1.88 0.00 0.00 0.00 178.15 178.39 1wez h TYR 33 N 0.00 0.79 0.00 1.37 0.05 0.86 -3.29 116.97 116.75 1wez h TYR 33 Ca 0.00 -0.58 0.00 0.00 0.05 0.00 0.00 58.73 58.20 1wez h TYR 33 Cb 0.21 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.92 1wez h TYR 33 CO 0.00 1.65 -0.42 -0.91 -1.05 0.00 0.00 178.16 177.44 1wez h ASN 34 N 0.12 0.00 0.98 3.88 2.35 -0.50 -2.77 115.58 119.64 1wez h ASN 34 Ca -0.32 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 1wez h ASN 34 Cb 2.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.49 1wez h ASN 34 CO 0.20 0.04 0.00 0.33 -1.65 0.00 0.00 177.43 176.36 1wez n PHE 35 N -2.42 0.32 0.06 1.19 7.35 0.39 -3.03 117.46 121.31 1wez n PHE 35 Ca 0.03 0.10 0.01 0.00 -0.76 0.00 0.00 57.45 56.83 1wez n PHE 35 Cb 0.47 -0.67 -0.00 0.00 0.35 0.00 0.00 39.48 39.63 1wez n PHE 35 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1wez n PHE 36 N -1.77 0.00 -1.34 -5.13 3.72 -1.21 -4.79 117.46 106.95 1wez n PHE 36 Ca 0.05 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.14 1wez n PHE 36 Cb 0.31 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.94 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 -0.91 4.43 -0.24 4.37 0.01 -1.05 -3.74 113.70 116.57 1wez s SER 37 Ca 0.01 1.97 -0.29 0.00 1.31 0.00 0.00 55.95 58.95 1wez s SER 37 Cb 0.01 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.69 1wez s SER 37 CO 0.04 -2.09 1.32 -2.16 0.41 0.00 0.00 173.24 170.76 1wez s PRO 38 N -4.55 4.02 0.20 12.44 0.04 -1.26 -5.01 135.00 140.86 1wez s PRO 38 Ca 0.65 1.43 -0.23 0.00 0.04 0.00 0.00 61.00 62.89 1wez s PRO 38 Cb -0.20 -3.85 0.06 0.00 0.04 0.00 0.00 34.50 30.55 1wez s PRO 38 CO 0.51 -0.99 0.95 -0.51 0.04 0.00 0.00 177.00 177.01 1wez s LEU 39 N 4.14 -0.11 -0.33 -3.56 1.43 -1.25 -5.01 118.68 113.99 1wez s LEU 39 Ca 0.57 -0.58 -0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1wez s LEU 39 Cb -0.19 2.24 0.12 0.00 0.03 0.00 0.00 46.19 48.40 1wez s LEU 39 CO 0.21 -1.04 0.18 0.20 0.23 0.00 0.00 176.35 176.12 1wez s ASN 40 N -3.09 3.28 -0.14 2.29 0.01 -1.26 -5.01 114.94 111.01 1wez s ASN 40 Ca 0.15 -1.89 -0.29 0.00 -0.71 0.00 0.00 52.86 50.12 1wez s ASN 40 Cb -0.02 -0.46 -0.02 0.00 0.41 0.00 0.00 41.25 41.16 1wez s ASN 40 CO 0.04 -0.36 1.26 -2.16 -1.51 0.00 0.00 177.10 174.38 1wez s PRO 41 N 1.39 4.25 0.35 -0.60 0.04 -1.26 -4.78 135.00 134.39 1wez s PRO 41 Ca 0.14 1.68 0.15 0.00 0.04 0.00 0.00 61.00 63.02 1wez s PRO 41 Cb -0.20 -3.73 1.18 0.00 0.04 0.00 0.00 34.50 31.78 1wez s PRO 41 CO -0.13 -0.67 1.58 0.52 0.04 0.00 0.00 177.00 178.34 1wez h MET 42 N 8.11 0.01 -1.33 4.56 2.86 0.14 -3.42 114.93 125.86 1wez h MET 42 Ca -0.28 -0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.50 1wez h MET 42 Cb 1.11 -0.00 -0.27 0.00 0.06 0.00 0.00 31.60 32.50 1wez h MET 42 CO 0.95 0.01 0.70 -0.98 1.06 0.00 0.00 176.91 178.65 1wez s ARG 43 N -5.66 0.31 -0.29 1.72 1.70 -1.24 -4.98 118.95 110.52 1wez s ARG 43 Ca -0.10 0.21 0.00 0.00 -0.47 0.00 0.00 55.73 55.37 1wez s ARG 43 Cb 0.33 0.15 0.06 0.00 -0.57 0.00 0.00 34.95 34.91 1wez s ARG 43 CO 0.78 -0.07 -0.04 0.08 -1.08 0.00 0.00 175.30 174.97 1wez s VAL 44 N -0.46 2.66 0.03 4.99 1.01 -1.26 -2.28 120.40 125.10 1wez s VAL 44 Ca 0.04 -1.52 -0.25 0.00 0.00 0.00 0.00 61.98 60.26 1wez s VAL 44 Cb -0.03 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 1wez s VAL 44 CO -0.07 -0.10 0.77 -2.28 0.00 0.00 0.00 175.10 173.42 1wez s HIS 45 N 1.18 3.72 -0.29 5.22 5.04 -0.39 -4.92 115.29 124.85 1wez s HIS 45 Ca -0.06 1.46 -0.05 0.00 -1.54 0.00 0.00 55.06 54.88 1wez s HIS 45 Cb -0.20 -2.83 0.02 0.00 0.04 0.00 0.00 32.58 29.61 1wez s HIS 45 CO -0.03 0.24 0.03 0.42 -2.34 0.00 0.00 174.74 173.06 1wez s ILE 46 N 0.08 3.49 -0.13 0.89 -1.09 -1.26 -2.40 121.20 120.78 1wez s ILE 46 Ca 0.39 -0.93 -0.29 0.00 -2.23 0.00 0.00 60.65 57.59 1wez s ILE 46 Cb -0.20 -2.83 -0.01 0.00 -1.58 0.00 0.00 42.46 37.84 1wez s ILE 46 CO 0.23 0.07 1.00 -0.70 -1.23 0.00 0.00 174.94 174.31 1wez s GLU 47 N 1.41 4.38 -0.10 2.79 2.12 -1.19 -5.03 118.70 123.08 1wez s GLU 47 Ca 0.00 1.36 -0.04 0.00 0.36 0.00 0.00 54.97 56.66 1wez s GLU 47 Cb -0.18 -3.56 -0.04 0.00 0.26 0.00 0.00 34.13 30.62 1wez s GLU 47 CO -0.00 -0.38 0.04 0.42 -0.54 0.00 0.00 175.26 174.80 1wez s ILE 48 N 2.25 4.60 0.00 -3.70 -1.09 -1.26 -2.40 121.20 119.60 1wez s ILE 48 Ca 0.47 -0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.76 1wez s ILE 48 Cb -0.17 -2.97 0.00 0.00 -1.58 0.00 0.00 42.46 37.74 1wez s ILE 48 CO 0.15 0.59 0.05 0.61 -1.23 0.00 0.00 174.94 175.11 1wez n GLY 49 N 2.27 0.25 0.00 6.18 0.00 0.31 -4.85 105.19 109.36 1wez n GLY 49 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.14 0.00 -1.58 1.61 -0.04 -1.25 -4.90 135.00 128.70 1wez n PRO 50 Ca 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.42 1wez n PRO 50 Cb 0.00 -0.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.96 1wez n PRO 50 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1wez n ASP 51 N -0.38 -0.64 0.00 3.54 5.68 -1.26 -4.96 116.55 118.53 1wez n ASP 51 Ca 0.00 -2.05 0.00 0.00 -0.50 0.00 0.00 54.79 52.24 1wez n ASP 51 Cb 0.00 0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 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 -0.32 -0.08 3.69 6.12 0.00 -1.26 -5.12 105.19 108.22 1wez n GLY 52 Ca -0.18 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 4.21 1.06 1.61 0.52 -1.26 -4.82 118.95 120.28 1wez s ARG 53 Ca 0.00 2.26 -0.13 0.00 -0.52 0.00 0.00 55.73 57.34 1wez s ARG 53 Cb 0.00 -3.58 0.22 0.00 0.52 0.00 0.00 34.95 32.11 1wez s ARG 53 CO 0.00 -0.70 1.08 0.14 0.02 0.00 0.00 175.30 175.84 1wez s VAL 54 N 2.54 1.97 -0.06 3.52 -7.23 -1.26 0.12 120.40 119.99 1wez s VAL 54 Ca 0.72 0.00 0.09 0.00 -1.81 0.00 0.00 61.98 60.98 1wez s VAL 54 Cb -0.38 -2.42 -0.13 0.00 0.56 0.00 0.00 36.38 34.00 1wez s VAL 54 CO 0.31 0.00 0.12 0.35 -0.31 0.00 0.00 175.10 175.57 1wez n THR 55 N -4.39 0.35 0.00 5.32 -2.24 -1.01 -4.32 114.28 107.99 1wez n THR 55 Ca 0.05 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1wez n THR 55 Cb 0.57 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 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 2.20 1.05 3.60 3.38 0.00 -1.26 -4.80 105.19 109.35 1wez n GLY 56 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.67 2.16 0.18 1.61 2.02 -1.26 -0.28 118.70 122.47 1wez s GLU 57 Ca 0.00 -1.25 -0.21 0.00 0.02 0.00 0.00 54.97 53.52 1wez s GLU 57 Cb 0.00 -2.20 0.05 0.00 0.10 0.00 0.00 34.13 32.08 1wez s GLU 57 CO 0.00 0.43 0.59 0.00 0.02 0.00 0.00 175.26 176.30 1wez s ALA 58 N -1.79 -1.38 -0.09 5.21 0.00 -0.33 -3.14 121.76 120.26 1wez s ALA 58 Ca 0.26 0.19 -0.00 0.00 0.00 0.00 0.00 51.96 52.41 1wez s ALA 58 Cb -0.09 0.86 0.02 0.00 0.00 0.00 0.00 23.12 23.92 1wez s ALA 58 CO 0.16 -0.81 -0.06 -0.51 0.00 0.00 0.00 175.76 174.55 1wez s ASP 59 N -2.80 1.78 -0.15 0.00 1.11 -1.01 0.20 116.67 115.80 1wez s ASP 59 Ca 0.04 -0.21 -0.03 0.00 0.18 0.00 0.00 52.55 52.53 1wez s ASP 59 Cb -0.02 -0.67 -0.03 0.00 1.07 0.00 0.00 42.92 43.28 1wez s ASP 59 CO -0.08 -0.11 -0.04 -0.69 1.18 0.00 0.00 175.17 175.43 1wez s VAL 60 N 1.54 3.84 -0.01 -1.27 1.01 0.27 -1.26 120.40 124.52 1wez s VAL 60 Ca 0.00 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.65 1wez s VAL 60 Cb -0.13 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 1wez s VAL 60 CO -0.05 0.50 -0.12 -0.70 0.00 0.00 0.00 175.10 174.73 1wez s GLU 61 N 0.28 2.42 0.07 2.72 2.56 -0.96 0.15 118.70 125.94 1wez s GLU 61 Ca -0.04 -0.77 0.04 0.00 0.00 0.00 0.00 54.97 54.21 1wez s GLU 61 Cb -0.14 -2.38 -0.03 0.00 2.00 0.00 0.00 34.13 33.58 1wez s GLU 61 CO 0.03 0.60 -0.12 -0.06 -0.56 0.00 0.00 175.26 175.14 1wez s PHE 62 N -0.87 1.11 0.02 5.30 0.08 -0.89 0.18 117.98 122.90 1wez s PHE 62 Ca 0.14 -0.50 -0.25 0.00 0.12 0.00 0.00 56.93 56.44 1wez s PHE 62 Cb -0.11 -0.62 -0.18 0.00 -0.57 0.00 0.00 43.02 41.54 1wez s PHE 62 CO 0.04 0.03 1.44 0.00 -0.10 0.00 0.00 175.22 176.63 1wez h ALA 63 N 4.17 -0.01 -5.60 5.36 0.00 -1.86 -3.40 119.26 117.92 1wez h ALA 63 Ca -0.39 -0.15 -0.53 0.00 0.00 0.00 0.00 54.91 53.83 1wez h ALA 63 Cb 1.19 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 1wez h ALA 63 CO 0.43 -0.36 -0.27 0.25 0.00 0.00 0.00 179.25 179.30 1wez n THR 64 N -4.95 0.00 0.04 0.00 -2.24 -1.26 -4.85 114.28 101.02 1wez n THR 64 Ca -0.08 -1.99 -0.20 0.00 -2.27 0.00 0.00 64.05 59.50 1wez n THR 64 Cb 0.17 -0.02 -0.14 0.00 -2.10 0.00 0.00 70.33 68.24 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 0.71 0.52 -0.65 4.78 2.76 -1.94 -3.35 115.15 117.98 1wez h HIS 65 Ca -0.32 -0.38 0.12 0.00 -2.20 0.00 0.00 60.37 57.59 1wez h HIS 65 Cb 1.15 -0.02 -0.12 0.00 1.55 0.00 0.00 27.41 29.97 1wez h HIS 65 CO 0.00 1.38 -0.30 0.93 -1.30 0.00 0.00 177.93 178.64 1wez h GLU 66 N -0.36 -0.11 -1.13 5.26 3.07 -1.99 1.47 114.58 120.79 1wez h GLU 66 Ca -0.19 0.01 0.33 0.00 -0.50 0.00 0.00 59.36 59.01 1wez h GLU 66 Cb 1.68 0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 29.56 1wez h GLU 66 CO 0.13 -0.07 0.81 -0.44 -1.40 0.00 0.00 179.01 178.04 1wez h ASP 67 N -0.11 0.01 0.11 1.42 5.19 -1.99 0.54 116.42 121.60 1wez h ASP 67 Ca 0.27 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.68 1wez h ASP 67 Cb 0.55 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.06 1wez h ASP 67 CO -0.72 0.00 -0.05 0.00 -3.12 0.00 0.00 179.24 175.35 1wez h ALA 68 N 1.44 -0.50 -0.97 3.45 0.00 0.19 -1.27 119.26 121.60 1wez h ALA 68 Ca 0.54 -0.03 0.26 0.00 0.00 0.00 0.00 54.91 55.68 1wez h ALA 68 Cb 2.15 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 19.86 1wez h ALA 68 CO -0.01 -0.48 0.51 0.28 0.00 0.00 0.00 179.25 179.54 1wez h VAL 69 N -0.29 0.43 -0.66 0.00 2.07 -0.42 1.29 116.25 118.67 1wez h VAL 69 Ca -0.02 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.36 1wez h VAL 69 Cb 0.12 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.82 1wez h VAL 69 CO 0.03 0.08 0.44 0.00 0.02 0.00 0.00 177.57 178.13 1wez h ALA 70 N 1.77 0.84 -0.04 1.67 0.00 -0.01 -1.36 119.26 122.13 1wez h ALA 70 Ca 0.64 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.36 1wez h ALA 70 Cb 1.31 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1wez h ALA 70 CO -0.54 0.26 -0.65 0.00 0.00 0.00 0.00 179.25 178.32 1wez h ALA 71 N 1.25 0.84 0.00 0.00 0.00 0.20 -2.65 119.26 118.90 1wez h ALA 71 Ca 0.24 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1wez h ALA 71 Cb -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1wez h ALA 71 CO -0.06 0.78 0.00 -1.33 0.00 0.00 0.00 179.25 178.64 1wez n MET 72 N -3.81 0.17 0.32 0.00 2.81 0.36 -1.58 117.12 115.38 1wez n MET 72 Ca -0.02 0.52 0.20 0.00 -1.81 0.00 0.00 57.70 56.59 1wez n MET 72 Cb 0.65 -1.91 1.05 0.00 -0.71 0.00 0.00 33.22 32.30 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 2.14 1.08 -0.95 3.04 0.00 -0.97 -0.51 119.26 123.09 1wez h ALA 73 Ca 0.00 -0.01 -0.61 0.00 0.00 0.00 0.00 54.91 54.29 1wez h ALA 73 Cb 0.19 -0.00 -0.30 0.00 0.00 0.00 0.00 17.79 17.68 1wez h ALA 73 CO 0.00 0.01 0.64 1.63 0.00 0.00 0.00 179.25 181.53 1wez n LYS 74 N -3.21 2.64 -2.88 0.00 4.76 -0.62 -4.89 118.16 113.96 1wez n LYS 74 Ca -0.02 -3.31 -0.42 0.00 -2.87 0.00 0.00 58.31 51.69 1wez n LYS 74 Cb 0.13 -2.24 -0.04 0.00 -1.84 0.00 0.00 35.03 31.04 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 -1.92 6.93 0.00 4.39 1.47 -0.20 -3.77 116.67 123.58 1wez s ASP 75 Ca 0.61 1.15 0.00 0.00 1.18 0.00 0.00 52.55 55.49 1wez s ASP 75 Cb 0.49 -2.45 0.00 0.00 -0.34 0.00 0.00 42.92 40.62 1wez s ASP 75 CO 0.02 -0.44 0.00 0.29 0.68 0.00 0.00 175.17 175.72 1wez n LYS 76 N 5.47 0.00 -1.58 2.11 5.02 -1.13 -4.96 118.16 123.10 1wez n LYS 76 Ca 0.05 0.00 -0.62 0.00 -2.02 0.00 0.00 58.31 55.72 1wez n LYS 76 Cb 0.48 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.41 1wez n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wez n ALA 77 N 0.00 -2.92 -2.01 7.82 0.00 -1.25 -4.07 120.51 118.08 1wez n ALA 77 Ca 0.00 0.57 -0.42 0.00 0.00 0.00 0.00 53.44 53.58 1wez n ALA 77 Cb 0.00 -1.81 -0.03 0.00 0.00 0.00 0.00 19.45 17.61 1wez n ALA 77 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1wez s ASN 78 N 0.92 6.61 0.00 0.00 2.47 -1.26 -4.43 114.94 119.25 1wez s ASN 78 Ca 0.95 2.15 -0.25 0.00 0.42 0.00 0.00 52.86 56.14 1wez s ASN 78 Cb -1.33 -2.53 -0.19 0.00 -1.45 0.00 0.00 41.25 35.74 1wez s ASN 78 CO 0.64 -0.99 1.35 -0.03 -3.72 0.00 0.00 177.10 174.36 1wez h MET 79 N 9.79 0.03 0.00 0.43 1.85 -1.84 -3.45 114.93 121.74 1wez h MET 79 Ca -0.39 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.69 1wez h MET 79 Cb 1.18 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.20 1wez h MET 79 CO 0.96 0.43 0.00 1.04 -0.40 0.00 0.00 176.91 178.94 1wez n GLN 80 N -4.87 0.00 -0.23 0.39 1.13 -1.26 -4.98 117.38 107.56 1wez n GLN 80 Ca -0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 1wez n GLN 80 Cb 0.22 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.57 1wez n GLN 80 CO 0.00 0.00 0.00 -2.39 -1.44 0.00 0.00 177.06 173.23 1wez n HIS 81 N -1.70 0.00 -4.27 1.08 1.44 -1.26 -5.10 115.22 105.42 1wez n HIS 81 Ca 0.00 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.56 1wez n HIS 81 Cb 0.00 -0.00 -0.10 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 1.17 -0.43 -1.40 1.81 -1.26 -5.09 118.95 113.75 1wez s ARG 82 Ca 0.00 -1.57 -0.11 0.00 -1.72 0.00 0.00 55.73 52.33 1wez s ARG 82 Cb 0.00 -0.37 0.08 0.00 -0.45 0.00 0.00 34.95 34.20 1wez s ARG 82 CO 0.00 -0.12 0.29 0.71 -0.68 0.00 0.00 175.30 175.51 1wez s TYR 83 N -3.58 3.32 0.04 -0.53 2.02 -1.26 -3.06 117.35 114.29 1wez s TYR 83 Ca 0.25 -1.40 -0.19 0.00 -0.37 0.00 0.00 57.07 55.36 1wez s TYR 83 Cb 0.06 -3.03 -0.06 0.00 -0.40 0.00 0.00 41.96 38.53 1wez s TYR 83 CO 0.05 -0.84 0.55 0.14 -1.57 0.00 0.00 175.55 173.88 1wez s VAL 84 N 1.47 4.83 -0.14 0.71 -7.23 -1.09 -4.69 120.40 114.27 1wez s VAL 84 Ca 0.03 1.17 -0.19 0.00 -1.81 0.00 0.00 61.98 61.19 1wez s VAL 84 Cb -0.23 -3.88 -0.04 0.00 0.56 0.00 0.00 36.38 32.79 1wez s VAL 84 CO 0.03 0.51 0.50 -1.61 -0.31 0.00 0.00 175.10 174.23 1wez s GLU 85 N -0.80 4.30 -0.16 4.82 2.02 0.55 -2.82 118.70 126.61 1wez s GLU 85 Ca 0.29 0.47 -0.00 0.00 0.02 0.00 0.00 54.97 55.74 1wez s GLU 85 Cb -0.19 -3.47 -0.00 0.00 0.10 0.00 0.00 34.13 30.57 1wez s GLU 85 CO 0.18 0.07 -0.14 -0.51 0.02 0.00 0.00 175.26 174.87 1wez s LEU 86 N 0.92 2.50 -0.30 1.80 1.43 -1.26 -0.98 118.68 122.79 1wez s LEU 86 Ca 0.26 -0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 52.85 1wez s LEU 86 Cb -0.15 -1.58 0.03 0.00 0.03 0.00 0.00 46.19 44.53 1wez s LEU 86 CO 0.10 0.07 0.02 -0.36 0.23 0.00 0.00 176.35 176.41 1wez s PHE 87 N 0.93 3.20 -0.15 0.29 0.40 -0.89 -4.86 117.98 116.89 1wez s PHE 87 Ca -0.03 -1.54 -0.29 0.00 -0.60 0.00 0.00 56.93 54.47 1wez s PHE 87 Cb -0.15 -2.16 -0.05 0.00 0.51 0.00 0.00 43.02 41.17 1wez s PHE 87 CO -0.02 -0.73 1.87 -1.17 0.70 0.00 0.00 175.22 175.87 1wez s LEU 88 N 1.35 3.93 -0.25 -0.37 2.96 -1.26 -2.47 118.68 122.56 1wez s LEU 88 Ca -0.02 1.99 -0.00 0.00 -0.22 0.00 0.00 54.13 55.88 1wez s LEU 88 Cb -0.19 -3.53 0.07 0.00 0.50 0.00 0.00 46.19 43.05 1wez s LEU 88 CO -0.00 -1.39 0.01 0.20 -1.32 0.00 0.00 176.35 173.85 1wez s ASN 89 N 5.36 3.79 0.18 3.68 0.01 -0.63 -5.01 114.94 122.33 1wez s ASN 89 Ca 0.84 -1.31 -0.03 0.00 -0.71 0.00 0.00 52.86 51.65 1wez s ASN 89 Cb -0.32 -1.03 -0.03 0.00 0.41 0.00 0.00 41.25 40.28 1wez s ASN 89 CO 0.34 -0.31 0.17 -0.55 -1.51 0.00 0.00 177.10 175.24 1wez s SER 90 N 1.49 0.15 -0.19 -1.22 0.15 -1.25 0.19 113.70 113.02 1wez s SER 90 Ca 0.00 -1.23 0.03 0.00 0.70 0.00 0.00 55.95 55.45 1wez s SER 90 Cb -0.18 0.39 -0.13 0.00 -1.71 0.00 0.00 66.02 64.38 1wez s SER 90 CO -0.11 -0.85 -0.15 0.41 1.20 0.00 0.00 173.24 173.74 1wez n THR 91 N -0.23 1.12 -1.59 6.45 -1.04 -1.22 -4.89 114.28 112.88 1wez n THR 91 Ca -0.02 -0.45 0.00 0.00 -2.04 0.00 0.00 64.05 61.54 1wez n THR 91 Cb 0.65 -1.14 0.00 0.00 -1.82 0.00 0.00 70.33 68.01 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 -3.03 -1.99 -1.23 2.41 0.00 -1.26 -5.03 120.51 110.39 1wez n ALA 92 Ca -0.34 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1wez n ALA 92 Cb 0.88 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.55 0.91 3.52 0.00 0.00 -1.26 -5.09 105.19 102.73 1wez n GLY 93 Ca 0.00 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.22 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 1.01 2.99 0.22 2.61 -1.32 -1.26 -5.13 115.64 114.76 1wez s THR 94 Ca 0.00 -1.56 -0.22 0.00 -1.21 0.00 0.00 61.69 58.69 1wez s THR 94 Cb 0.00 -2.42 0.04 0.00 -1.51 0.00 0.00 72.50 68.61 1wez s THR 94 CO 0.00 0.01 0.71 -0.55 -2.21 0.00 0.00 174.62 172.58 1wez s SER 95 N -2.42 -0.36 0.00 8.08 0.15 -1.26 -5.14 113.70 112.75 1wez s SER 95 Ca 0.21 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.49 1wez s SER 95 Cb -0.10 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1wez s SER 95 CO 0.12 -1.16 0.00 0.61 1.20 0.00 0.00 173.24 174.01 1wez n GLY 96 N -0.43 1.75 3.22 9.45 0.00 -1.26 -5.12 105.19 112.80 1wez n GLY 96 Ca -0.09 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 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 2.81 0.07 1.61 0.01 -1.26 -5.13 113.70 111.81 1wez s SER 97 Ca 0.00 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 56.79 1wez s SER 97 Cb 0.00 -0.88 -0.00 0.00 0.21 0.00 0.00 66.02 65.34 1wez s SER 97 CO 0.00 0.20 0.03 0.61 0.41 0.00 0.00 173.24 174.49 1wez n GLY 98 N 3.13 3.95 3.75 3.44 0.00 -1.26 -5.13 105.19 113.08 1wez n GLY 98 Ca -0.18 -1.96 -0.40 0.00 0.00 0.00 0.00 46.02 43.48 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 -2.28 4.65 -0.18 1.61 0.04 -1.26 -4.28 135.00 133.30 1wez s PRO 99 Ca 0.04 1.76 -0.15 0.00 0.04 0.00 0.00 61.00 62.69 1wez s PRO 99 Cb 0.00 -3.21 0.02 0.00 0.04 0.00 0.00 34.50 31.35 1wez s PRO 99 CO 0.03 0.22 0.26 -1.13 0.04 0.00 0.00 177.00 176.41 1wez n SER 100 N 1.41 -6.19 -4.43 6.66 3.41 -1.26 -4.47 113.62 108.75 1wez n SER 100 Ca -0.01 0.21 -0.48 0.00 -0.26 0.00 0.00 58.87 58.33 1wez n SER 100 Cb 0.45 -1.69 -0.10 0.00 -0.26 0.00 0.00 64.21 62.60 1wez n SER 100 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wez n SER 101 N 0.71 1.19 0.00 4.04 2.88 -1.26 -5.26 113.62 115.92 1wez n SER 101 Ca -0.03 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1wez n SER 101 Cb 0.56 -1.10 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 1wez n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42