#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wez s SER 2 N 0.00 2.95 -0.01 1.61 1.04 -1.26 -5.10 113.70 112.93 1wez s SER 2 Ca 0.00 -2.63 0.01 0.00 0.48 0.00 0.00 55.95 53.81 1wez s SER 2 Cb 0.00 -0.68 0.01 0.00 0.10 0.00 0.00 66.02 65.45 1wez s SER 2 CO 0.00 -0.25 -0.02 -0.94 0.98 0.00 0.00 173.24 173.01 1wez s SER 3 N 0.46 0.38 0.00 7.02 1.04 -1.26 -4.98 113.70 116.36 1wez s SER 3 Ca 0.22 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.60 1wez s SER 3 Cb -0.16 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 65.85 1wez s SER 3 CO -0.05 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.76 1wez n GLY 4 N 3.45 1.50 0.00 7.32 0.00 -1.26 -5.15 105.19 111.05 1wez n GLY 4 Ca -0.18 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1wez n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wez n SER 5 N 0.00 0.00 -3.50 1.61 2.88 -1.26 -4.66 113.62 108.69 1wez n SER 5 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1wez n SER 5 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1wez n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wez s SER 6 N 0.00 -0.25 0.00 -3.46 0.01 -1.26 -5.13 113.70 103.62 1wez s SER 6 Ca 0.00 0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.63 1wez s SER 6 Cb 0.00 1.18 0.00 0.00 0.21 0.00 0.00 66.02 67.41 1wez s SER 6 CO 0.00 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.20 1wez n GLY 7 N 3.88 0.54 3.15 3.44 0.00 -1.26 -5.13 105.19 109.81 1wez n GLY 7 Ca -0.14 -0.99 0.05 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 -1.04 -0.19 1.61 1.04 -1.26 -5.05 113.70 108.81 1wez s SER 8 Ca 0.00 0.63 -0.32 0.00 0.48 0.00 0.00 55.95 56.73 1wez s SER 8 Cb 0.00 1.86 0.15 0.00 0.10 0.00 0.00 66.02 68.13 1wez s SER 8 CO 0.00 -0.19 1.18 -0.44 0.98 0.00 0.00 173.24 174.76 1wez s SER 9 N 2.90 -0.18 0.13 7.02 0.01 -1.26 -5.05 113.70 117.28 1wez s SER 9 Ca 0.13 0.08 -0.20 0.00 1.31 0.00 0.00 55.95 57.26 1wez s SER 9 Cb -0.13 0.17 -0.02 0.00 0.21 0.00 0.00 66.02 66.25 1wez s SER 9 CO -0.17 -0.24 1.69 0.15 0.41 0.00 0.00 173.24 175.08 1wez h PHE 10 N 2.11 -0.18 -3.80 2.43 3.57 -2.06 -3.49 116.94 115.53 1wez h PHE 10 Ca -0.11 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1wez h PHE 10 Cb 1.18 0.11 0.00 0.00 2.79 0.00 0.00 35.95 40.03 1wez h PHE 10 CO 0.26 -0.13 -0.91 0.94 -2.23 0.00 0.00 178.31 176.25 1wez n GLN 11 N -5.23 -4.76 -3.88 1.11 7.27 -1.26 -5.05 117.38 105.58 1wez n GLN 11 Ca -0.02 3.49 -0.11 0.00 0.07 0.00 0.00 57.00 60.43 1wez n GLN 11 Cb 0.15 -3.88 -0.10 0.00 2.41 0.00 0.00 30.24 28.82 1wez n GLN 11 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1wez s SER 12 N -2.72 0.04 0.02 1.69 1.04 -1.26 -5.06 113.70 107.45 1wez s SER 12 Ca 0.00 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1wez s SER 12 Cb 0.00 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1wez s SER 12 CO 0.00 -0.33 0.00 0.35 0.98 0.00 0.00 173.24 174.24 1wez n THR 13 N 1.60 0.06 -0.08 2.02 -2.24 -1.26 -4.97 114.28 109.40 1wez n THR 13 Ca -0.22 0.02 -0.10 0.00 -2.27 0.00 0.00 64.05 61.48 1wez n THR 13 Cb 0.56 -1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 67.75 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 -2.82 1.48 0.00 4.28 -2.24 -1.26 -5.06 114.28 108.65 1wez n THR 14 Ca 0.00 0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1wez n THR 14 Cb 0.23 -2.27 0.00 0.00 -2.10 0.00 0.00 70.33 66.19 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 1.59 3.42 3.61 3.38 0.00 -1.26 -4.92 105.19 111.00 1wez n GLY 15 Ca -0.15 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 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 2.49 0.18 1.61 3.76 -1.26 -3.79 115.29 118.28 1wez s HIS 16 Ca 0.00 0.72 -0.04 0.00 -0.15 0.00 0.00 55.06 55.59 1wez s HIS 16 Cb 0.00 -4.23 -0.03 0.00 1.11 0.00 0.00 32.58 29.43 1wez s HIS 16 CO 0.00 -1.87 0.19 0.00 -0.85 0.00 0.00 174.74 172.21 1wez s VAL 18 N -4.07 -0.14 0.36 0.00 1.01 0.56 -1.30 120.40 116.81 1wez s VAL 18 Ca 0.28 0.39 -0.15 0.00 0.00 0.00 0.00 61.98 62.50 1wez s VAL 18 Cb 0.05 -0.18 -0.09 0.00 0.00 0.00 0.00 36.38 36.17 1wez s VAL 18 CO 0.06 0.16 0.78 -2.28 0.00 0.00 0.00 175.10 173.82 1wez s HIS 19 N 2.08 3.38 0.12 5.22 2.46 -0.93 0.06 115.29 127.69 1wez s HIS 19 Ca 0.03 1.24 0.08 0.00 0.47 0.00 0.00 55.06 56.88 1wez s HIS 19 Cb -0.12 -2.56 -0.04 0.00 -0.13 0.00 0.00 32.58 29.73 1wez s HIS 19 CO -0.04 0.02 -0.19 -1.64 -2.47 0.00 0.00 174.74 170.42 1wez s MET 20 N -3.20 1.15 0.14 2.88 -1.94 0.50 -1.65 119.30 117.18 1wez s MET 20 Ca 0.55 -1.24 -0.20 0.00 -1.71 0.00 0.00 55.69 53.09 1wez s MET 20 Cb -0.10 -1.31 0.05 0.00 2.01 0.00 0.00 34.83 35.48 1wez s MET 20 CO 0.20 0.29 0.51 0.50 -0.01 0.00 0.00 175.02 176.51 1wez s ARG 21 N -2.24 1.17 -1.08 2.03 3.52 -1.09 -2.12 118.95 119.14 1wez s ARG 21 Ca 0.09 -0.55 -0.13 0.00 -0.13 0.00 0.00 55.73 55.02 1wez s ARG 21 Cb -0.08 0.53 -0.04 0.00 -1.56 0.00 0.00 34.95 33.80 1wez s ARG 21 CO 0.05 -0.48 0.85 0.41 -0.81 0.00 0.00 175.30 175.32 1wez n GLY 22 N -0.25 -1.10 3.90 8.12 0.00 -0.99 0.61 105.19 115.48 1wez n GLY 22 Ca -0.17 0.53 -0.31 0.00 0.00 0.00 0.00 46.02 46.07 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 -5.83 4.30 0.55 0.99 1.43 -0.59 -3.50 118.68 116.04 1wez s LEU 23 Ca 0.45 0.25 -0.17 0.00 -1.03 0.00 0.00 54.13 53.62 1wez s LEU 23 Cb -0.11 -2.89 -0.06 0.00 0.03 0.00 0.00 46.19 43.17 1wez s LEU 23 CO 0.80 0.18 1.04 -2.16 0.23 0.00 0.00 176.35 176.44 1wez s PRO 24 N -2.46 3.53 0.64 1.29 0.04 -1.26 -4.61 135.00 132.17 1wez s PRO 24 Ca 0.34 1.23 0.42 0.00 0.04 0.00 0.00 61.00 63.03 1wez s PRO 24 Cb -0.13 -2.06 2.21 0.00 0.04 0.00 0.00 34.50 34.56 1wez s PRO 24 CO 0.27 -0.64 2.30 -0.92 0.04 0.00 0.00 177.00 178.05 1wez h TYR 25 N 0.85 0.00 -0.92 0.56 3.20 -2.00 -1.15 116.97 117.50 1wez h TYR 25 Ca -0.48 0.00 -0.59 0.00 3.14 0.00 0.00 58.73 60.80 1wez h TYR 25 Cb 1.22 0.00 -0.30 0.00 1.54 0.00 0.00 36.73 39.19 1wez h TYR 25 CO 0.58 0.00 0.57 0.54 -1.64 0.00 0.00 178.16 178.22 1wez n ARG 26 N -3.17 2.63 -4.23 1.82 5.12 -1.26 -4.91 116.66 112.67 1wez n ARG 26 Ca -0.02 -3.32 -0.33 0.00 -1.93 0.00 0.00 57.85 52.24 1wez n ARG 26 Cb 0.11 -2.23 -0.15 0.00 -1.16 0.00 0.00 32.46 29.03 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 -3.64 2.48 0.46 7.54 0.00 -0.44 -4.98 121.76 123.18 1wez s ALA 27 Ca 0.60 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 51.44 1wez s ALA 27 Cb 0.48 -1.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 1wez s ALA 27 CO 0.02 -0.25 0.08 0.25 0.00 0.00 0.00 175.76 175.86 1wez n THR 28 N 4.45 0.00 -0.21 0.00 -2.24 -1.26 -4.93 114.28 110.10 1wez n THR 28 Ca -0.20 -2.41 -0.02 0.00 -2.27 0.00 0.00 64.05 59.16 1wez n THR 28 Cb 0.51 0.69 0.19 0.00 -2.10 0.00 0.00 70.33 69.62 1wez n THR 28 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1wez h GLU 29 N 0.00 0.99 0.00 -0.78 5.08 -1.97 0.23 114.58 118.12 1wez h GLU 29 Ca -0.37 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1wez h GLU 29 Cb 1.25 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1wez h GLU 29 CO 0.60 0.76 -0.02 -0.97 -1.00 0.00 0.00 179.01 178.38 1wez h ASN 30 N 0.98 0.00 0.04 1.42 -0.73 -1.99 0.11 115.58 115.41 1wez h ASN 30 Ca 0.24 0.00 -0.30 0.00 1.87 0.00 0.00 56.30 58.11 1wez h ASN 30 Cb 0.09 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.64 1wez h ASN 30 CO -0.03 0.02 -1.65 0.47 -0.37 0.00 0.00 177.43 175.87 1wez n ASP 31 N -3.35 1.96 0.32 1.15 8.00 -0.04 -3.57 116.55 121.01 1wez n ASP 31 Ca -0.02 0.33 0.20 0.00 0.71 0.00 0.00 54.79 56.00 1wez n ASP 31 Cb 0.12 -0.90 1.08 0.00 -0.02 0.00 0.00 41.12 41.40 1wez n ASP 31 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1wez h ILE 32 N -0.62 0.17 0.07 0.53 2.04 -0.09 0.79 117.51 120.39 1wez h ILE 32 Ca -0.41 0.00 -0.26 0.00 1.00 0.00 0.00 64.86 65.19 1wez h ILE 32 Cb 1.59 0.95 0.02 0.00 -0.74 0.00 0.00 36.82 38.65 1wez h ILE 32 CO -0.13 0.00 -1.07 1.88 0.00 0.00 0.00 178.15 178.83 1wez h TYR 33 N 0.00 0.95 0.00 1.37 0.05 -0.93 -3.18 116.97 115.23 1wez h TYR 33 Ca 0.01 -0.56 0.00 0.00 0.05 0.00 0.00 58.73 58.22 1wez h TYR 33 Cb 0.11 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.76 1wez h TYR 33 CO 0.00 1.40 -0.41 0.09 -1.05 0.00 0.00 178.16 178.19 1wez n ASN 34 N -3.89 0.73 0.20 3.88 4.13 -0.20 -2.80 115.26 117.31 1wez n ASN 34 Ca -0.12 0.27 0.08 0.00 1.68 0.00 0.00 54.58 56.48 1wez n ASN 34 Cb 0.90 -0.16 0.38 0.00 -1.54 0.00 0.00 39.78 39.36 1wez n ASN 34 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1wez h PHE 35 N 0.00 0.00 0.00 3.10 3.04 0.50 -3.05 116.94 120.53 1wez h PHE 35 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1wez h PHE 35 Cb 0.74 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.25 1wez h PHE 35 CO 0.00 0.30 -1.61 1.19 -2.02 0.00 0.00 178.31 176.17 1wez n PHE 36 N -3.43 0.00 -1.67 0.41 3.72 -1.20 -4.94 117.46 110.34 1wez n PHE 36 Ca 0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 1wez n PHE 36 Cb 0.48 -0.32 0.02 0.00 -0.94 0.00 0.00 39.48 38.71 1wez n PHE 36 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1wez n SER 37 N -1.97 2.09 -4.67 4.37 2.88 -1.12 -3.50 113.62 111.69 1wez n SER 37 Ca -0.02 1.06 -0.43 0.00 -1.33 0.00 0.00 58.87 58.16 1wez n SER 37 Cb 0.44 -1.46 -0.02 0.00 -0.75 0.00 0.00 64.21 62.42 1wez n SER 37 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1wez s PRO 38 N -2.22 4.29 0.03 -1.46 0.04 -1.26 -5.01 135.00 129.41 1wez s PRO 38 Ca 0.63 1.69 -0.29 0.00 0.04 0.00 0.00 61.00 63.07 1wez s PRO 38 Cb -0.51 -3.67 0.10 0.00 0.04 0.00 0.00 34.50 30.46 1wez s PRO 38 CO 0.57 -0.59 1.17 -0.51 0.04 0.00 0.00 177.00 177.68 1wez s LEU 39 N 2.90 -0.10 -0.33 -3.56 1.43 -1.23 -4.99 118.68 112.80 1wez s LEU 39 Ca 0.56 -0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.43 1wez s LEU 39 Cb -0.24 1.65 0.12 0.00 0.03 0.00 0.00 46.19 47.76 1wez s LEU 39 CO 0.18 -0.50 0.18 0.20 0.23 0.00 0.00 176.35 176.64 1wez s ASN 40 N -2.94 3.27 -0.13 2.29 0.01 -1.26 -5.01 114.94 111.17 1wez s ASN 40 Ca 0.13 -1.89 -0.29 0.00 -0.71 0.00 0.00 52.86 50.10 1wez s ASN 40 Cb 0.03 -0.45 -0.02 0.00 0.41 0.00 0.00 41.25 41.21 1wez s ASN 40 CO -0.02 -0.36 1.26 -2.16 -1.51 0.00 0.00 177.10 174.31 1wez s PRO 41 N 1.40 4.26 0.43 -0.60 0.04 -1.26 -4.75 135.00 134.52 1wez s PRO 41 Ca 0.15 1.68 0.24 0.00 0.04 0.00 0.00 61.00 63.11 1wez s PRO 41 Cb -0.20 -3.72 1.24 0.00 0.04 0.00 0.00 34.50 31.86 1wez s PRO 41 CO -0.13 -0.65 1.76 0.52 0.04 0.00 0.00 177.00 178.54 1wez h MET 42 N 8.05 0.26 -1.23 4.56 2.86 0.18 -3.43 114.93 126.17 1wez h MET 42 Ca -0.29 -0.02 0.18 0.00 -2.06 0.00 0.00 59.70 57.52 1wez h MET 42 Cb 1.12 -0.06 -0.26 0.00 0.06 0.00 0.00 31.60 32.46 1wez h MET 42 CO 0.95 0.17 0.81 -0.98 1.06 0.00 0.00 176.91 178.92 1wez s ARG 43 N -5.35 0.24 -0.14 1.72 1.70 -1.25 -4.97 118.95 110.91 1wez s ARG 43 Ca -0.08 0.07 0.01 0.00 -0.47 0.00 0.00 55.73 55.26 1wez s ARG 43 Cb 0.25 0.11 0.02 0.00 -0.57 0.00 0.00 34.95 34.77 1wez s ARG 43 CO 0.80 -0.07 -0.15 0.08 -1.08 0.00 0.00 175.30 174.88 1wez s VAL 44 N -1.00 1.60 -0.22 4.99 1.01 -1.26 -2.42 120.40 123.10 1wez s VAL 44 Ca 0.05 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 1wez s VAL 44 Cb -0.01 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 1wez s VAL 44 CO -0.05 0.46 0.17 -2.28 0.00 0.00 0.00 175.10 173.40 1wez s HIS 45 N 1.31 3.35 -0.46 5.22 5.04 0.15 -4.93 115.29 124.96 1wez s HIS 45 Ca 0.01 0.29 -0.08 0.00 -1.54 0.00 0.00 55.06 53.74 1wez s HIS 45 Cb -0.14 -2.25 0.12 0.00 0.04 0.00 0.00 32.58 30.35 1wez s HIS 45 CO -0.08 0.13 0.32 0.42 -2.34 0.00 0.00 174.74 173.19 1wez s ILE 46 N 0.84 4.02 -0.02 0.89 -1.09 -1.26 -1.78 121.20 122.80 1wez s ILE 46 Ca 0.09 -1.85 -0.30 0.00 -2.23 0.00 0.00 60.65 56.35 1wez s ILE 46 Cb -0.13 -3.67 -0.07 0.00 -1.58 0.00 0.00 42.46 37.02 1wez s ILE 46 CO 0.03 -0.76 1.77 -0.70 -1.23 0.00 0.00 174.94 174.04 1wez s GLU 47 N 1.30 4.17 -0.00 2.79 2.12 -1.24 -4.98 118.70 122.86 1wez s GLU 47 Ca 0.06 2.35 0.01 0.00 0.36 0.00 0.00 54.97 57.75 1wez s GLU 47 Cb -0.25 -4.05 -0.04 0.00 0.26 0.00 0.00 34.13 30.05 1wez s GLU 47 CO -0.02 -0.88 0.04 0.42 -0.54 0.00 0.00 175.26 174.28 1wez s ILE 48 N 4.17 4.44 0.85 -3.70 -1.09 -1.26 -2.29 121.20 122.32 1wez s ILE 48 Ca 0.79 -0.51 -0.11 0.00 -2.23 0.00 0.00 60.65 58.59 1wez s ILE 48 Cb -0.37 -3.01 0.19 0.00 -1.58 0.00 0.00 42.46 37.69 1wez s ILE 48 CO 0.34 0.36 1.16 0.61 -1.23 0.00 0.00 174.94 176.17 1wez n GLY 49 N 1.27 -0.85 3.27 6.18 0.00 0.11 -4.92 105.19 110.25 1wez n GLY 49 Ca -0.14 -1.80 -0.39 0.00 0.00 0.00 0.00 46.02 43.69 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 -3.37 2.29 0.00 1.61 -0.04 -1.26 -2.87 135.00 131.36 1wez n PRO 50 Ca 0.16 -2.57 0.00 0.00 -0.04 0.00 0.00 63.50 61.05 1wez n PRO 50 Cb 0.54 -3.37 0.00 0.00 -0.04 0.00 0.00 33.50 30.64 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 9.19 0.00 0.00 3.54 9.92 -1.26 -4.97 116.55 132.97 1wez n ASP 51 Ca 0.49 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.75 1wez n ASP 51 Cb 0.43 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 1wez n ASP 51 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wez n GLY 52 N 0.00 1.06 3.70 0.44 0.00 -1.14 -4.98 105.19 104.27 1wez n GLY 52 Ca 0.00 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 1.21 -1.07 1.61 1.74 -1.26 -4.54 116.66 114.34 1wez n ARG 53 Ca 0.00 0.46 -0.30 0.00 -0.77 0.00 0.00 57.85 57.24 1wez n ARG 53 Cb 0.00 -2.45 0.23 0.00 -1.02 0.00 0.00 32.46 29.22 1wez n ARG 53 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1wez s VAL 54 N -1.39 1.68 -0.05 1.55 -7.23 -1.26 0.04 120.40 113.74 1wez s VAL 54 Ca 0.78 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 61.00 1wez s VAL 54 Cb -0.40 -2.47 -0.07 0.00 0.56 0.00 0.00 36.38 34.01 1wez s VAL 54 CO 0.44 0.00 0.02 0.35 -0.31 0.00 0.00 175.10 175.60 1wez n THR 55 N -4.67 0.37 0.00 5.32 -2.24 -0.97 -4.44 114.28 107.64 1wez n THR 55 Ca 0.11 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1wez n THR 55 Cb 0.59 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 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 2.69 1.95 3.95 3.38 0.00 -1.26 -4.84 105.19 111.05 1wez n GLY 56 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.23 3.48 -0.18 1.61 2.02 -1.26 -1.54 118.70 122.59 1wez s GLU 57 Ca 0.00 -0.46 -0.26 0.00 0.02 0.00 0.00 54.97 54.28 1wez s GLU 57 Cb 0.00 -2.76 0.07 0.00 0.10 0.00 0.00 34.13 31.53 1wez s GLU 57 CO 0.00 0.28 0.67 0.00 0.02 0.00 0.00 175.26 176.23 1wez s ALA 58 N -2.13 -1.69 -0.12 5.21 0.00 -0.90 -3.70 121.76 118.44 1wez s ALA 58 Ca 0.38 1.69 -0.02 0.00 0.00 0.00 0.00 51.96 54.00 1wez s ALA 58 Cb -0.10 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 1wez s ALA 58 CO 0.33 -0.34 -0.03 0.34 0.00 0.00 0.00 175.76 176.06 1wez s ASP 59 N -0.18 4.91 0.10 0.00 2.15 -0.74 0.19 116.67 123.11 1wez s ASP 59 Ca -0.04 -0.03 0.09 0.00 0.43 0.00 0.00 52.55 53.01 1wez s ASP 59 Cb -0.03 -1.58 -0.04 0.00 -0.30 0.00 0.00 42.92 40.97 1wez s ASP 59 CO 0.04 0.26 -0.23 -0.69 -0.17 0.00 0.00 175.17 174.38 1wez s VAL 60 N -0.21 1.92 -0.00 1.11 1.01 0.11 -0.68 120.40 123.66 1wez s VAL 60 Ca 0.04 -1.57 0.03 0.00 0.00 0.00 0.00 61.98 60.48 1wez s VAL 60 Cb -0.13 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 1wez s VAL 60 CO 0.02 0.04 -0.11 -0.70 0.00 0.00 0.00 175.10 174.35 1wez s GLU 61 N -1.85 0.87 0.02 2.72 2.56 -1.01 -0.33 118.70 121.68 1wez s GLU 61 Ca 0.09 -0.43 0.01 0.00 0.00 0.00 0.00 54.97 54.64 1wez s GLU 61 Cb -0.10 -0.84 -0.01 0.00 2.00 0.00 0.00 34.13 35.18 1wez s GLU 61 CO 0.04 0.23 -0.05 -0.06 -0.56 0.00 0.00 175.26 174.86 1wez s PHE 62 N -0.34 0.42 0.08 5.30 0.08 -0.22 0.19 117.98 123.49 1wez s PHE 62 Ca 0.04 -0.30 -0.28 0.00 0.12 0.00 0.00 56.93 56.51 1wez s PHE 62 Cb -0.05 -0.27 -0.17 0.00 -0.57 0.00 0.00 43.02 41.97 1wez s PHE 62 CO -0.00 -0.07 1.67 0.00 -0.10 0.00 0.00 175.22 176.73 1wez h ALA 63 N 5.27 -0.47 -5.84 5.36 0.00 -1.85 -3.38 119.26 118.35 1wez h ALA 63 Ca -0.31 -0.10 -0.36 0.00 0.00 0.00 0.00 54.91 54.14 1wez h ALA 63 Cb 1.20 0.18 0.02 0.00 0.00 0.00 0.00 17.79 19.19 1wez h ALA 63 CO 0.45 -0.76 -0.06 0.25 0.00 0.00 0.00 179.25 179.13 1wez n THR 64 N -5.29 0.00 -0.01 0.00 -2.24 -1.26 -4.79 114.28 100.69 1wez n THR 64 Ca -0.10 -1.43 -0.22 0.00 -2.27 0.00 0.00 64.05 60.03 1wez n THR 64 Cb 0.21 -0.60 -0.14 0.00 -2.10 0.00 0.00 70.33 67.70 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 0.13 0.40 -0.38 4.78 2.76 -1.95 -3.34 115.15 117.55 1wez h HIS 65 Ca -0.20 -0.29 0.08 0.00 -2.20 0.00 0.00 60.37 57.75 1wez h HIS 65 Cb 0.91 -0.02 -0.08 0.00 1.55 0.00 0.00 27.41 29.77 1wez h HIS 65 CO 0.00 1.70 -0.19 0.93 -1.30 0.00 0.00 177.93 179.07 1wez h GLU 66 N -0.18 -0.12 0.00 5.26 5.08 -1.98 1.14 114.58 123.78 1wez h GLU 66 Ca -0.39 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1wez h GLU 66 Cb 1.87 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.14 1wez h GLU 66 CO 0.03 -0.08 0.07 -0.44 -1.00 0.00 0.00 179.01 177.59 1wez h ASP 67 N -0.12 0.00 0.13 1.42 3.32 -1.98 0.32 116.42 119.50 1wez h ASP 67 Ca 0.19 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.89 1wez h ASP 67 Cb 0.41 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1wez h ASP 67 CO -0.45 0.00 -1.84 0.00 -1.72 0.00 0.00 179.24 175.23 1wez h ALA 68 N 1.84 0.34 -0.03 3.45 0.00 0.98 -2.98 119.26 122.87 1wez h ALA 68 Ca 0.00 -1.31 -0.01 0.00 0.00 0.00 0.00 54.91 53.60 1wez h ALA 68 Cb 0.13 0.65 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1wez h ALA 68 CO 0.00 1.17 -0.00 0.28 0.00 0.00 0.00 179.25 180.70 1wez h VAL 69 N -0.04 1.26 -0.51 0.00 2.07 0.21 0.18 116.25 119.42 1wez h VAL 69 Ca -0.39 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 1wez h VAL 69 Cb 1.96 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 33.45 1wez h VAL 69 CO 0.08 0.21 0.32 0.00 0.02 0.00 0.00 177.57 178.20 1wez h ALA 70 N 0.69 1.60 0.24 1.67 0.00 -0.68 1.00 119.26 123.77 1wez h ALA 70 Ca 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1wez h ALA 70 Cb 0.34 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1wez h ALA 70 CO 0.00 0.36 -0.12 0.00 0.00 0.00 0.00 179.25 179.49 1wez h ALA 71 N 1.65 -0.33 0.00 0.00 0.00 -1.33 -2.53 119.26 116.73 1wez h ALA 71 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1wez h ALA 71 Cb -0.04 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1wez h ALA 71 CO -0.04 -0.56 0.00 0.00 0.00 0.00 0.00 179.25 178.65 1wez n MET 72 N -5.13 0.87 0.06 0.00 0.00 0.03 -3.21 117.12 109.73 1wez n MET 72 Ca -0.09 0.00 0.07 0.00 0.00 0.00 0.00 57.70 57.67 1wez n MET 72 Cb 0.22 -1.50 0.30 0.00 0.00 0.00 0.00 33.22 32.25 1wez n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1wez n ALA 73 N -1.04 1.35 -1.43 3.17 0.00 0.34 -1.96 120.51 120.94 1wez n ALA 73 Ca 0.21 0.04 -0.35 0.00 0.00 0.00 0.00 53.44 53.34 1wez n ALA 73 Cb 0.12 -1.21 0.07 0.00 0.00 0.00 0.00 19.45 18.43 1wez n ALA 73 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wez n LYS 74 N -1.78 2.64 -2.41 0.00 4.76 -1.20 -4.98 118.16 115.19 1wez n LYS 74 Ca 0.01 -3.22 -0.39 0.00 -2.87 0.00 0.00 58.31 51.85 1wez n LYS 74 Cb 0.10 -2.24 -0.03 0.00 -1.84 0.00 0.00 35.03 31.02 1wez n LYS 74 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1wez s ASP 75 N -1.51 6.90 -1.16 4.39 2.15 -0.83 -2.64 116.67 123.97 1wez s ASP 75 Ca 0.60 2.27 0.00 0.00 0.43 0.00 0.00 52.55 55.85 1wez s ASP 75 Cb 0.48 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.48 1wez s ASP 75 CO -0.10 -0.41 0.00 0.29 -0.17 0.00 0.00 175.17 174.78 1wez n LYS 76 N 0.55 -0.85 -4.18 4.34 5.02 -0.77 -4.99 118.16 117.28 1wez n LYS 76 Ca 0.02 0.81 -0.35 0.00 -2.02 0.00 0.00 58.31 56.77 1wez n LYS 76 Cb 0.46 -4.85 -0.09 0.00 -0.02 0.00 0.00 35.03 30.53 1wez n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wez s ALA 77 N -2.48 3.38 -0.14 7.82 0.00 -1.08 -4.68 121.76 124.58 1wez s ALA 77 Ca 0.00 -0.76 -0.21 0.00 0.00 0.00 0.00 51.96 50.99 1wez s ALA 77 Cb 0.00 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.38 1wez s ALA 77 CO 0.00 0.41 0.62 0.54 0.00 0.00 0.00 175.76 177.33 1wez s ASN 78 N -0.34 6.79 0.30 0.00 2.20 -1.26 0.15 114.94 122.78 1wez s ASN 78 Ca 0.08 0.95 0.03 0.00 -0.94 0.00 0.00 52.86 52.98 1wez s ASN 78 Cb -0.12 -2.36 0.49 0.00 -2.00 0.00 0.00 41.25 37.26 1wez s ASN 78 CO 0.02 -0.16 1.79 -0.03 -2.94 0.00 0.00 177.10 175.78 1wez h MET 79 N 7.07 0.52 0.00 3.55 1.85 -1.91 -3.42 114.93 122.58 1wez h MET 79 Ca -0.37 -0.15 0.00 0.00 -0.61 0.00 0.00 59.70 58.57 1wez h MET 79 Cb 1.17 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 33.14 1wez h MET 79 CO 0.76 0.64 0.00 1.04 -0.40 0.00 0.00 176.91 178.96 1wez n GLN 80 N -4.20 0.00 -0.64 0.39 6.02 -1.26 -4.98 117.38 112.71 1wez n GLN 80 Ca 0.01 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 1wez n GLN 80 Cb 0.33 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.57 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 -2.77 0.00 -3.59 1.08 1.44 -1.26 -5.09 115.22 105.03 1wez n HIS 81 Ca 0.00 -0.17 -0.21 0.00 -2.01 0.00 0.00 57.72 55.33 1wez n HIS 81 Cb 0.00 0.33 -0.16 0.00 0.12 0.00 0.00 29.99 30.28 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 0.08 -0.32 -1.40 1.81 -1.26 -5.06 118.95 112.79 1wez s ARG 82 Ca 0.00 0.20 -0.37 0.00 -1.72 0.00 0.00 55.73 53.83 1wez s ARG 82 Cb 0.00 -1.15 -0.13 0.00 -0.45 0.00 0.00 34.95 33.21 1wez s ARG 82 CO 0.00 -0.55 2.04 0.98 -0.68 0.00 0.00 175.30 177.09 1wez n TYR 83 N 5.30 1.75 -3.13 -0.53 9.36 -1.26 -3.20 117.16 125.45 1wez n TYR 83 Ca -0.06 0.37 -0.30 0.00 3.32 0.00 0.00 57.90 61.23 1wez n TYR 83 Cb 0.49 -2.50 -0.04 0.00 -0.63 0.00 0.00 39.34 36.67 1wez n TYR 83 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1wez s VAL 84 N 5.89 4.89 0.10 2.97 1.01 0.39 -4.65 120.40 131.00 1wez s VAL 84 Ca 1.06 0.40 0.05 0.00 0.00 0.00 0.00 61.98 63.49 1wez s VAL 84 Cb -0.96 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 31.67 1wez s VAL 84 CO 0.55 -0.36 0.01 -1.61 0.00 0.00 0.00 175.10 173.69 1wez s GLU 85 N -3.55 2.59 -0.08 2.72 0.41 0.20 -1.85 118.70 119.15 1wez s GLU 85 Ca 0.48 -0.84 -0.03 0.00 -0.41 0.00 0.00 54.97 54.17 1wez s GLU 85 Cb -0.11 -2.55 0.04 0.00 -1.78 0.00 0.00 34.13 29.74 1wez s GLU 85 CO 0.29 0.53 0.14 -0.51 -0.49 0.00 0.00 175.26 175.22 1wez s LEU 86 N -2.40 -0.01 -0.30 1.80 1.43 -1.26 -2.68 118.68 115.26 1wez s LEU 86 Ca 0.26 0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 53.56 1wez s LEU 86 Cb -0.11 0.16 0.04 0.00 0.03 0.00 0.00 46.19 46.30 1wez s LEU 86 CO 0.19 -0.25 0.04 -0.36 0.23 0.00 0.00 176.35 176.19 1wez s PHE 87 N 2.26 3.21 -0.09 0.29 0.40 -0.66 -4.87 117.98 118.53 1wez s PHE 87 Ca 0.04 -1.56 -0.29 0.00 -0.60 0.00 0.00 56.93 54.52 1wez s PHE 87 Cb -0.12 -2.17 -0.06 0.00 0.51 0.00 0.00 43.02 41.18 1wez s PHE 87 CO -0.05 -0.74 1.84 -1.17 0.70 0.00 0.00 175.22 175.80 1wez s LEU 88 N 1.35 4.12 -0.27 -0.37 2.96 -1.26 -2.18 118.68 123.03 1wez s LEU 88 Ca -0.02 2.18 -0.01 0.00 -0.22 0.00 0.00 54.13 56.06 1wez s LEU 88 Cb -0.19 -3.53 0.08 0.00 0.50 0.00 0.00 46.19 43.06 1wez s LEU 88 CO 0.00 -1.22 0.06 0.20 -1.32 0.00 0.00 176.35 174.08 1wez s ASN 89 N 4.73 3.69 0.21 3.68 0.01 -0.42 -5.00 114.94 121.84 1wez s ASN 89 Ca 0.82 -1.35 -0.05 0.00 -0.71 0.00 0.00 52.86 51.58 1wez s ASN 89 Cb -0.34 -0.82 -0.03 0.00 0.41 0.00 0.00 41.25 40.46 1wez s ASN 89 CO 0.34 -0.36 0.23 -0.55 -1.51 0.00 0.00 177.10 175.25 1wez s SER 90 N 1.66 0.08 -0.09 -1.22 0.15 -1.25 0.20 113.70 113.23 1wez s SER 90 Ca 0.05 -1.24 0.18 0.00 0.70 0.00 0.00 55.95 55.64 1wez s SER 90 Cb -0.17 0.44 -0.26 0.00 -1.71 0.00 0.00 66.02 64.31 1wez s SER 90 CO -0.18 -0.93 0.26 0.41 1.20 0.00 0.00 173.24 174.00 1wez n THR 91 N -0.30 0.54 -1.29 6.45 -1.04 -1.25 -4.91 114.28 112.49 1wez n THR 91 Ca 0.01 -0.58 0.05 0.00 -2.04 0.00 0.00 64.05 61.49 1wez n THR 91 Cb 0.65 -0.20 -0.01 0.00 -1.82 0.00 0.00 70.33 68.94 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 -2.38 -1.59 -3.00 2.41 0.00 -1.26 -4.98 120.51 109.70 1wez n ALA 92 Ca -0.15 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1wez n ALA 92 Cb 0.76 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.72 1wez n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wez n GLY 93 N -1.23 3.49 2.89 0.00 0.00 -1.26 -5.14 105.19 103.94 1wez n GLY 93 Ca 0.00 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 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 3.87 0.72 -0.13 2.61 -1.32 -1.26 -5.04 115.64 115.09 1wez s THR 94 Ca 0.00 -0.17 -0.14 0.00 -1.21 0.00 0.00 61.69 60.18 1wez s THR 94 Cb 0.00 -0.75 -0.05 0.00 -1.51 0.00 0.00 72.50 70.20 1wez s THR 94 CO 0.00 0.29 -0.26 -0.24 -2.21 0.00 0.00 174.62 172.20 1wez n SER 95 N 4.45 1.53 0.00 8.08 2.88 -1.26 -5.14 113.62 124.15 1wez n SER 95 Ca -0.18 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1wez n SER 95 Cb 0.51 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 1wez n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wez n GLY 96 N 1.63 0.71 3.61 0.46 0.00 -1.26 -5.16 105.19 105.18 1wez n GLY 96 Ca -0.11 -1.74 -0.03 0.00 0.00 0.00 0.00 46.02 44.15 1wez n GLY 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wez s SER 97 N -4.00 -0.15 -0.33 1.61 1.04 -1.26 -5.14 113.70 105.46 1wez s SER 97 Ca 0.00 -0.11 0.05 0.00 0.48 0.00 0.00 55.95 56.37 1wez s SER 97 Cb 0.00 0.24 0.19 0.00 0.10 0.00 0.00 66.02 66.55 1wez s SER 97 CO 0.00 -0.42 0.65 -0.83 0.98 0.00 0.00 173.24 173.62 1wez s GLY 98 N -2.61 -1.26 0.90 7.32 0.00 -1.26 -5.16 107.32 105.25 1wez s GLY 98 Ca 0.11 0.86 -0.12 0.00 0.00 0.00 0.00 44.72 45.56 1wez s GLY 98 CO -0.04 3.73 1.13 2.56 0.00 0.00 0.00 173.10 180.48 1wez s PRO 99 N 2.49 1.22 -0.30 2.90 0.04 -1.26 -5.08 135.00 135.01 1wez s PRO 99 Ca 0.13 0.32 -0.18 0.00 0.04 0.00 0.00 61.00 61.31 1wez s PRO 99 Cb -0.07 -1.85 0.17 0.00 0.04 0.00 0.00 34.50 32.79 1wez s PRO 99 CO -0.19 -2.15 1.22 -1.12 0.04 0.00 0.00 177.00 174.80 1wez s SER 100 N -4.02 -0.11 -0.11 6.66 0.01 -1.26 -5.08 113.70 109.80 1wez s SER 100 Ca 0.64 0.07 -0.02 0.00 1.31 0.00 0.00 55.95 57.95 1wez s SER 100 Cb -0.15 1.09 -0.01 0.00 0.21 0.00 0.00 66.02 67.17 1wez s SER 100 CO 0.53 -0.02 -0.04 0.77 0.41 0.00 0.00 173.24 174.90 1wez h SER 101 N 7.99 0.00 0.00 2.44 4.64 -2.10 -3.58 113.55 122.94 1wez h SER 101 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1wez h SER 101 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1wez h SER 101 CO -0.23 0.54 0.00 0.61 -0.87 0.00 0.00 176.83 176.88