#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 -1.60 -4.34 1.61 2.88 -1.26 -5.04 113.62 105.88 1wez n SER 2 Ca 0.00 0.60 -0.46 0.00 -1.33 0.00 0.00 58.87 57.68 1wez n SER 2 Cb 0.00 1.63 -0.04 0.00 -0.75 0.00 0.00 64.21 65.05 1wez n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wez s SER 3 N -3.86 6.25 0.00 -3.46 0.01 -1.26 -4.83 113.70 106.56 1wez s SER 3 Ca 0.00 -1.77 0.00 0.00 1.31 0.00 0.00 55.95 55.49 1wez s SER 3 Cb 0.00 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.98 1wez s SER 3 CO 0.00 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.34 1wez n GLY 4 N 5.14 0.94 0.06 3.44 0.00 -1.26 -5.06 105.19 108.46 1wez n GLY 4 Ca -0.09 0.42 -0.03 0.00 0.00 0.00 0.00 46.02 46.32 1wez n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wez h SER 5 N 0.00 0.00 -5.08 1.61 0.02 -2.02 -3.50 113.55 104.58 1wez h SER 5 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1wez h SER 5 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1wez h SER 5 CO 0.00 0.67 -0.56 -0.24 -1.14 0.00 0.00 176.83 175.56 1wez n SER 6 N -4.67 -7.53 0.00 3.07 2.88 -1.26 -5.01 113.62 101.10 1wez n SER 6 Ca -0.05 0.67 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 1wez n SER 6 Cb 0.18 -5.06 0.00 0.00 -0.75 0.00 0.00 64.21 58.57 1wez n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wez n GLY 7 N -0.11 4.05 3.15 0.46 0.00 -1.26 -5.14 105.19 106.33 1wez n GLY 7 Ca 0.09 -1.20 0.06 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.40 0.19 1.61 0.15 -1.26 -5.13 113.70 108.86 1wez s SER 8 Ca 0.00 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1wez s SER 8 Cb 0.00 1.26 0.00 0.00 -1.71 0.00 0.00 66.02 65.57 1wez s SER 8 CO 0.00 -0.07 0.00 -0.24 1.20 0.00 0.00 173.24 174.13 1wez n SER 9 N 5.14 -5.38 -4.59 5.45 2.88 -1.26 -4.87 113.62 111.00 1wez n SER 9 Ca 0.08 0.63 -0.45 0.00 -1.33 0.00 0.00 58.87 57.80 1wez n SER 9 Cb 0.57 -1.83 -0.02 0.00 -0.75 0.00 0.00 64.21 62.19 1wez n SER 9 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1wez n PHE 10 N -0.16 1.24 -3.53 0.66 -0.00 -1.26 -4.99 117.46 109.43 1wez n PHE 10 Ca 0.00 0.71 -0.15 0.00 -0.00 0.00 0.00 57.45 58.01 1wez n PHE 10 Cb 0.00 -2.24 -0.12 0.00 -0.00 0.00 0.00 39.48 37.11 1wez n PHE 10 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 1wez s GLN 11 N -1.52 0.20 0.11 -4.13 0.74 -1.26 -5.13 119.66 108.67 1wez s GLN 11 Ca 0.59 0.46 -0.31 0.00 0.05 0.00 0.00 55.36 56.15 1wez s GLN 11 Cb -0.71 -0.65 -0.08 0.00 1.10 0.00 0.00 33.01 32.67 1wez s GLN 11 CO 0.60 -0.52 1.49 0.45 -0.55 0.00 0.00 175.29 176.76 1wez s SER 12 N 2.40 6.72 -0.15 6.67 0.15 -1.26 -4.93 113.70 123.29 1wez s SER 12 Ca 0.06 2.41 -0.12 0.00 0.70 0.00 0.00 55.95 59.01 1wez s SER 12 Cb -0.14 -2.58 -0.07 0.00 -1.71 0.00 0.00 66.02 61.52 1wez s SER 12 CO -0.11 -0.75 -0.05 0.71 1.20 0.00 0.00 173.24 174.23 1wez h THR 13 N 4.36 0.24 0.00 6.45 1.35 -2.00 -3.47 112.91 119.85 1wez h THR 13 Ca -0.42 -1.29 0.00 0.00 -0.55 0.00 0.00 66.41 64.15 1wez h THR 13 Cb 1.20 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1wez h THR 13 CO 0.90 0.08 -0.39 0.35 -0.25 0.00 0.00 175.52 176.21 1wez n THR 14 N -4.59 0.12 0.00 6.82 -2.24 -1.26 -5.09 114.28 108.04 1wez n THR 14 Ca -0.12 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1wez n THR 14 Cb 0.34 -0.99 0.00 0.00 -2.10 0.00 0.00 70.33 67.57 1wez n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wez n GLY 15 N 2.28 3.59 3.66 3.38 0.00 -1.26 -4.98 105.19 111.85 1wez n GLY 15 Ca 0.00 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 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 3.26 0.19 1.61 3.76 -1.26 -3.88 115.29 118.97 1wez s HIS 16 Ca 0.00 1.38 -0.04 0.00 -0.15 0.00 0.00 55.06 56.25 1wez s HIS 16 Cb 0.00 -3.35 -0.03 0.00 1.11 0.00 0.00 32.58 30.31 1wez s HIS 16 CO 0.00 -0.66 0.20 0.00 -0.85 0.00 0.00 174.74 173.43 1wez s VAL 18 N -4.08 -0.27 0.31 0.00 1.01 -0.31 -0.85 120.40 116.21 1wez s VAL 18 Ca 0.30 0.15 -0.16 0.00 0.00 0.00 0.00 61.98 62.27 1wez s VAL 18 Cb 0.05 -0.45 -0.09 0.00 0.00 0.00 0.00 36.38 35.89 1wez s VAL 18 CO 0.08 -0.01 0.74 -2.28 0.00 0.00 0.00 175.10 173.63 1wez s HIS 19 N 2.29 3.41 -0.03 5.22 2.46 -0.10 -0.17 115.29 128.37 1wez s HIS 19 Ca 0.04 1.25 0.04 0.00 0.47 0.00 0.00 55.06 56.87 1wez s HIS 19 Cb -0.14 -2.56 -0.00 0.00 -0.13 0.00 0.00 32.58 29.75 1wez s HIS 19 CO -0.08 0.12 -0.16 -1.64 -2.47 0.00 0.00 174.74 170.51 1wez s MET 20 N -2.85 1.58 -0.03 2.88 -1.94 0.51 -1.07 119.30 118.37 1wez s MET 20 Ca 0.53 -0.56 -0.09 0.00 -1.71 0.00 0.00 55.69 53.85 1wez s MET 20 Cb -0.11 -1.41 0.01 0.00 2.01 0.00 0.00 34.83 35.33 1wez s MET 20 CO 0.18 0.25 0.21 1.03 -0.01 0.00 0.00 175.02 176.68 1wez s ARG 21 N -0.03 0.45 -0.62 2.03 0.52 -0.42 -0.86 118.95 120.03 1wez s ARG 21 Ca -0.02 -0.10 -0.02 0.00 -0.52 0.00 0.00 55.73 55.07 1wez s ARG 21 Cb -0.10 0.20 -0.03 0.00 0.52 0.00 0.00 34.95 35.54 1wez s ARG 21 CO 0.01 -0.10 0.53 0.41 0.02 0.00 0.00 175.30 176.18 1wez n GLY 22 N 1.93 -0.19 3.91 -3.53 0.00 -0.63 0.21 105.19 106.90 1wez n GLY 22 Ca -0.19 0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.39 4.32 -0.02 0.99 1.43 0.34 -2.93 118.68 118.43 1wez s LEU 23 Ca 0.18 0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 53.37 1wez s LEU 23 Cb -0.02 -3.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.07 1wez s LEU 23 CO 0.42 0.12 1.20 -2.16 0.23 0.00 0.00 176.35 176.16 1wez s PRO 24 N -2.58 4.38 0.59 1.29 0.04 -1.26 -4.63 135.00 132.83 1wez s PRO 24 Ca 0.37 1.70 0.34 0.00 0.04 0.00 0.00 61.00 63.45 1wez s PRO 24 Cb -0.13 -3.50 1.21 0.00 0.04 0.00 0.00 34.50 32.13 1wez s PRO 24 CO 0.27 -0.38 1.45 -0.92 0.04 0.00 0.00 177.00 177.45 1wez h TYR 25 N 7.27 0.00 0.00 0.56 3.20 -1.98 1.43 116.97 127.45 1wez h TYR 25 Ca -0.37 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.41 1wez h TYR 25 Cb 1.18 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.46 1wez h TYR 25 CO 0.71 0.00 -0.35 0.00 -1.64 0.00 0.00 178.16 176.88 1wez h ARG 26 N 0.00 0.23 -5.70 1.82 2.47 -2.05 -3.46 114.38 107.69 1wez h ARG 26 Ca 0.59 -0.25 -0.69 0.00 -1.26 0.00 0.00 59.98 58.37 1wez h ARG 26 Cb 2.99 0.07 0.08 0.00 -1.65 0.00 0.00 29.97 31.46 1wez h ARG 26 CO -0.01 0.98 -0.22 0.00 0.56 0.00 0.00 179.97 181.28 1wez n ALA 27 N -2.56 -3.14 -2.22 0.04 0.00 0.49 -4.95 120.51 108.17 1wez n ALA 27 Ca -0.10 0.49 -0.13 0.00 0.00 0.00 0.00 53.44 53.71 1wez n ALA 27 Cb 0.56 -1.60 -0.10 0.00 0.00 0.00 0.00 19.45 18.31 1wez n ALA 27 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1wez s THR 28 N -0.48 0.75 0.25 0.00 -1.32 -1.26 -4.89 115.64 108.69 1wez s THR 28 Ca 0.74 -1.98 -0.08 0.00 -1.21 0.00 0.00 61.69 59.16 1wez s THR 28 Cb -1.04 -1.95 0.32 0.00 -1.51 0.00 0.00 72.50 68.32 1wez s THR 28 CO 0.54 -0.63 1.61 -0.33 -2.21 0.00 0.00 174.62 173.59 1wez h GLU 29 N 2.78 0.03 -0.96 7.08 5.08 -1.96 1.49 114.58 128.13 1wez h GLU 29 Ca -0.36 -0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.19 1wez h GLU 29 Cb 1.19 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.35 1wez h GLU 29 CO 0.63 0.02 0.61 -0.91 -1.00 0.00 0.00 179.01 178.37 1wez h ASN 30 N 0.04 0.60 0.07 1.42 2.35 -1.99 0.22 115.58 118.28 1wez h ASN 30 Ca 0.42 0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 56.23 1wez h ASN 30 Cb 0.70 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.03 1wez h ASN 30 CO -0.78 0.23 -0.03 0.44 -1.65 0.00 0.00 177.43 175.64 1wez h ASP 31 N 0.59 -0.08 -0.72 5.81 3.32 0.13 -3.08 116.42 122.40 1wez h ASP 31 Ca 0.52 -0.48 0.21 0.00 0.02 0.00 0.00 57.03 57.30 1wez h ASP 31 Cb 1.04 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 1wez h ASP 31 CO -0.27 0.61 0.80 0.40 -1.72 0.00 0.00 179.24 179.06 1wez h ILE 32 N -0.94 0.20 -0.06 0.35 2.04 0.11 1.50 117.51 120.72 1wez h ILE 32 Ca -0.01 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.64 1wez h ILE 32 Cb 0.55 0.36 0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1wez h ILE 32 CO 0.02 0.00 -0.80 1.88 0.00 0.00 0.00 178.15 179.25 1wez h TYR 33 N 0.00 0.92 -0.00 1.37 0.05 -0.57 -3.13 116.97 115.60 1wez h TYR 33 Ca 0.34 -0.46 0.00 0.00 0.05 0.00 0.00 58.73 58.67 1wez h TYR 33 Cb 1.94 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 39.56 1wez h TYR 33 CO 0.00 1.28 -0.36 -1.71 -1.05 0.00 0.00 178.16 176.32 1wez n ASN 34 N -4.01 0.45 0.04 3.88 5.15 0.38 -3.00 115.26 118.15 1wez n ASN 34 Ca -0.09 -0.18 0.14 0.00 -0.60 0.00 0.00 54.58 53.84 1wez n ASN 34 Cb 0.76 0.08 0.54 0.00 -0.53 0.00 0.00 39.78 40.63 1wez n ASN 34 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1wez n PHE 35 N -1.39 0.34 0.04 1.20 7.35 0.42 -3.32 117.46 122.09 1wez n PHE 35 Ca 0.07 0.10 0.00 0.00 -0.76 0.00 0.00 57.45 56.86 1wez n PHE 35 Cb 0.33 -0.66 -0.00 0.00 0.35 0.00 0.00 39.48 39.50 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 -1.78 0.00 -1.48 -5.13 3.72 -1.21 -4.67 117.46 106.91 1wez n PHE 36 Ca 0.06 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.14 1wez n PHE 36 Cb 0.37 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.99 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 -0.92 4.60 -0.22 4.37 0.01 -1.16 -3.70 113.70 116.68 1wez s SER 37 Ca 0.00 2.03 -0.29 0.00 1.31 0.00 0.00 55.95 59.01 1wez s SER 37 Cb 0.01 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.68 1wez s SER 37 CO 0.03 -1.98 1.31 -2.16 0.41 0.00 0.00 173.24 170.85 1wez s PRO 38 N -4.32 4.08 0.23 12.44 0.04 -1.26 -5.02 135.00 141.19 1wez s PRO 38 Ca 0.67 1.51 -0.21 0.00 0.04 0.00 0.00 61.00 63.00 1wez s PRO 38 Cb -0.21 -3.83 0.06 0.00 0.04 0.00 0.00 34.50 30.56 1wez s PRO 38 CO 0.47 -0.91 0.94 -0.51 0.04 0.00 0.00 177.00 177.04 1wez s LEU 39 N 3.95 -0.07 -0.34 -3.56 1.43 -1.24 -5.02 118.68 113.83 1wez s LEU 39 Ca 0.57 -0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 52.96 1wez s LEU 39 Cb -0.20 2.33 0.13 0.00 0.03 0.00 0.00 46.19 48.47 1wez s LEU 39 CO 0.19 -1.15 0.19 0.20 0.23 0.00 0.00 176.35 176.01 1wez s ASN 40 N -3.16 3.19 -0.12 2.29 0.01 -1.26 -5.04 114.94 110.84 1wez s ASN 40 Ca 0.17 -2.00 -0.29 0.00 -0.71 0.00 0.00 52.86 50.02 1wez s ASN 40 Cb -0.03 -0.46 -0.02 0.00 0.41 0.00 0.00 41.25 41.15 1wez s ASN 40 CO 0.06 -0.34 1.26 -2.16 -1.51 0.00 0.00 177.10 174.41 1wez s PRO 41 N 1.26 4.27 0.40 -0.60 0.04 -1.26 -4.81 135.00 134.30 1wez s PRO 41 Ca 0.16 1.69 0.24 0.00 0.04 0.00 0.00 61.00 63.12 1wez s PRO 41 Cb -0.21 -3.70 1.31 0.00 0.04 0.00 0.00 34.50 31.94 1wez s PRO 41 CO -0.08 -0.63 1.63 0.52 0.04 0.00 0.00 177.00 178.48 1wez h MET 42 N 7.99 0.14 -1.18 4.56 2.86 -0.64 -3.42 114.93 125.25 1wez h MET 42 Ca -0.29 -0.01 0.18 0.00 -2.06 0.00 0.00 59.70 57.51 1wez h MET 42 Cb 1.12 -0.03 -0.30 0.00 0.06 0.00 0.00 31.60 32.45 1wez h MET 42 CO 0.94 0.09 0.81 -0.98 1.06 0.00 0.00 176.91 178.84 1wez s ARG 43 N -5.44 0.16 -0.34 1.72 1.70 -1.26 -5.01 118.95 110.48 1wez s ARG 43 Ca -0.08 0.14 -0.09 0.00 -0.47 0.00 0.00 55.73 55.22 1wez s ARG 43 Cb 0.30 0.08 0.02 0.00 -0.57 0.00 0.00 34.95 34.78 1wez s ARG 43 CO 0.80 -0.03 0.16 0.08 -1.08 0.00 0.00 175.30 175.24 1wez s VAL 44 N -0.26 4.38 -0.19 4.99 1.01 -1.26 -3.68 120.40 125.40 1wez s VAL 44 Ca 0.06 -0.77 -0.19 0.00 0.00 0.00 0.00 61.98 61.09 1wez s VAL 44 Cb -0.04 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 1wez s VAL 44 CO -0.11 -0.11 0.54 -2.28 0.00 0.00 0.00 175.10 173.13 1wez s HIS 45 N 1.54 3.39 -0.44 5.22 5.04 -0.23 -4.96 115.29 124.86 1wez s HIS 45 Ca 0.02 0.82 -0.09 0.00 -1.54 0.00 0.00 55.06 54.28 1wez s HIS 45 Cb -0.18 -2.68 0.10 0.00 0.04 0.00 0.00 32.58 29.86 1wez s HIS 45 CO 0.05 -0.08 0.30 0.42 -2.34 0.00 0.00 174.74 173.10 1wez s ILE 46 N 1.54 4.18 0.06 0.89 -1.09 -1.26 -1.82 121.20 123.69 1wez s ILE 46 Ca 0.25 -1.62 -0.30 0.00 -2.23 0.00 0.00 60.65 56.75 1wez s ILE 46 Cb -0.15 -3.66 -0.09 0.00 -1.58 0.00 0.00 42.46 36.97 1wez s ILE 46 CO 0.10 -0.65 1.94 -0.70 -1.23 0.00 0.00 174.94 174.41 1wez s GLU 47 N 1.38 4.14 0.06 2.79 2.12 -1.18 -4.97 118.70 123.04 1wez s GLU 47 Ca 0.04 2.62 0.01 0.00 0.36 0.00 0.00 54.97 58.01 1wez s GLU 47 Cb -0.25 -4.02 -0.04 0.00 0.26 0.00 0.00 34.13 30.09 1wez s GLU 47 CO 0.00 -0.93 0.14 0.42 -0.54 0.00 0.00 175.26 174.35 1wez s ILE 48 N 4.02 4.95 0.55 -3.70 -1.09 -1.26 -2.70 121.20 121.97 1wez s ILE 48 Ca 0.87 -0.55 -0.04 0.00 -2.23 0.00 0.00 60.65 58.70 1wez s ILE 48 Cb -0.44 -3.39 0.12 0.00 -1.58 0.00 0.00 42.46 37.17 1wez s ILE 48 CO 0.40 0.16 0.75 0.61 -1.23 0.00 0.00 174.94 175.64 1wez n GLY 49 N 0.46 0.06 2.69 6.18 0.00 0.36 -4.86 105.19 110.08 1wez n GLY 49 Ca -0.07 -1.91 -0.36 0.00 0.00 0.00 0.00 46.02 43.67 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 -2.47 2.48 0.00 1.61 -0.04 -1.26 -3.03 135.00 132.29 1wez n PRO 50 Ca 0.11 -1.98 0.00 0.00 -0.04 0.00 0.00 63.50 61.60 1wez n PRO 50 Cb 0.40 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.03 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 5.30 0.00 0.00 3.54 5.75 -1.26 -4.99 116.55 124.89 1wez n ASP 51 Ca 0.55 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.33 1wez n ASP 51 Cb 0.28 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 1wez n ASP 51 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wez n GLY 52 N 0.00 1.49 3.68 6.12 0.00 -1.17 -5.13 105.19 110.19 1wez n GLY 52 Ca 0.00 -0.12 -0.44 0.00 0.00 0.00 0.00 46.02 45.46 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 2.17 -0.45 1.61 1.74 -1.26 -4.29 116.66 116.18 1wez n ARG 53 Ca 0.00 0.78 -0.29 0.00 -0.77 0.00 0.00 57.85 57.57 1wez n ARG 53 Cb 0.00 -2.47 0.26 0.00 -1.02 0.00 0.00 32.46 29.23 1wez n ARG 53 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1wez n VAL 54 N 2.22 0.00 -0.03 1.55 0.24 -1.26 -0.48 118.33 120.57 1wez n VAL 54 Ca 0.12 -0.45 -0.01 0.00 -2.04 0.00 0.00 64.34 61.96 1wez n VAL 54 Cb 0.32 -0.96 -0.06 0.00 -1.47 0.00 0.00 33.84 31.66 1wez n VAL 54 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1wez n THR 55 N -5.09 0.36 0.00 3.34 -2.24 -1.10 -4.57 114.28 104.98 1wez n THR 55 Ca 0.03 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1wez n THR 55 Cb 0.55 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 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 2.38 0.87 3.78 3.38 0.00 -1.26 -4.85 105.19 109.48 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 -0.38 2.84 -0.04 1.61 2.02 -1.26 -0.51 118.70 123.00 1wez s GLU 57 Ca 0.00 -0.91 -0.17 0.00 0.02 0.00 0.00 54.97 53.91 1wez s GLU 57 Cb 0.00 -2.61 0.03 0.00 0.10 0.00 0.00 34.13 31.65 1wez s GLU 57 CO 0.00 0.48 0.38 0.00 0.02 0.00 0.00 175.26 176.14 1wez s ALA 58 N -1.77 -0.98 -0.11 5.21 0.00 -0.04 -3.08 121.76 121.00 1wez s ALA 58 Ca 0.31 0.58 0.03 0.00 0.00 0.00 0.00 51.96 52.88 1wez s ALA 58 Cb -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.01 1wez s ALA 58 CO 0.23 -0.27 -0.22 0.34 0.00 0.00 0.00 175.76 175.84 1wez s ASP 59 N -1.13 2.97 0.16 0.00 2.15 -0.76 0.19 116.67 120.25 1wez s ASP 59 Ca -0.12 -0.55 0.10 0.00 0.43 0.00 0.00 52.55 52.41 1wez s ASP 59 Cb -0.04 -1.36 -0.04 0.00 -0.30 0.00 0.00 42.92 41.17 1wez s ASP 59 CO 0.05 0.12 -0.20 -0.69 -0.17 0.00 0.00 175.17 174.28 1wez s VAL 60 N 0.55 2.65 -0.02 1.11 1.01 0.76 -1.06 120.40 125.40 1wez s VAL 60 Ca -0.14 -1.75 0.01 0.00 0.00 0.00 0.00 61.98 60.10 1wez s VAL 60 Cb -0.17 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 33.98 1wez s VAL 60 CO 0.05 -0.01 -0.02 -0.70 0.00 0.00 0.00 175.10 174.41 1wez s GLU 61 N -2.44 0.39 0.09 2.72 2.56 -1.24 -1.16 118.70 119.62 1wez s GLU 61 Ca 0.20 -0.04 0.08 0.00 0.00 0.00 0.00 54.97 55.20 1wez s GLU 61 Cb -0.09 -0.46 -0.03 0.00 2.00 0.00 0.00 34.13 35.54 1wez s GLU 61 CO 0.10 -0.04 -0.20 -0.06 -0.56 0.00 0.00 175.26 174.50 1wez s PHE 62 N 0.55 1.75 -0.01 5.30 0.08 -0.86 0.20 117.98 124.99 1wez s PHE 62 Ca -0.06 -0.41 -0.25 0.00 0.12 0.00 0.00 56.93 56.34 1wez s PHE 62 Cb -0.09 -0.98 -0.18 0.00 -0.57 0.00 0.00 43.02 41.20 1wez s PHE 62 CO -0.01 0.17 1.24 0.00 -0.10 0.00 0.00 175.22 176.53 1wez h ALA 63 N 4.26 -0.18 -5.71 5.36 0.00 -1.87 -3.38 119.26 117.73 1wez h ALA 63 Ca -0.45 -0.20 -0.32 0.00 0.00 0.00 0.00 54.91 53.94 1wez h ALA 63 Cb 1.18 0.07 0.02 0.00 0.00 0.00 0.00 17.79 19.06 1wez h ALA 63 CO 0.40 -0.39 -0.04 0.25 0.00 0.00 0.00 179.25 179.47 1wez n THR 64 N -4.98 0.00 -0.05 0.00 -2.24 -1.26 -4.79 114.28 100.96 1wez n THR 64 Ca -0.09 -1.29 -0.21 0.00 -2.27 0.00 0.00 64.05 60.20 1wez n THR 64 Cb 0.24 -0.68 -0.13 0.00 -2.10 0.00 0.00 70.33 67.66 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 0.05 0.21 -0.81 4.78 2.76 -1.96 -3.34 115.15 116.84 1wez h HIS 65 Ca -0.18 -0.15 0.18 0.00 -2.20 0.00 0.00 60.37 58.01 1wez h HIS 65 Cb 0.83 -0.01 -0.15 0.00 1.55 0.00 0.00 27.41 29.63 1wez h HIS 65 CO 0.00 1.50 -0.10 0.93 -1.30 0.00 0.00 177.93 178.97 1wez h GLU 66 N -0.63 0.04 -0.80 5.26 4.39 -1.97 1.56 114.58 122.43 1wez h GLU 66 Ca -0.31 -0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.51 1wez h GLU 66 Cb 1.52 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 30.11 1wez h GLU 66 CO -0.06 0.02 0.52 -0.44 -1.16 0.00 0.00 179.01 177.90 1wez h ASP 67 N 0.04 0.57 0.00 1.42 5.19 -1.98 1.48 116.42 123.14 1wez h ASP 67 Ca 0.42 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.86 1wez h ASP 67 Cb 0.72 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.14 1wez h ASP 67 CO -0.79 0.31 0.00 0.00 -3.12 0.00 0.00 179.24 175.65 1wez n ALA 68 N -2.47 -0.27 -0.17 3.45 0.00 0.51 -1.18 120.51 120.39 1wez n ALA 68 Ca 0.14 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.87 1wez n ALA 68 Cb 0.42 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.60 1wez n ALA 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wez h VAL 69 N 0.00 0.51 -0.08 0.00 2.07 -0.79 0.37 116.25 118.34 1wez h VAL 69 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1wez h VAL 69 Cb 0.00 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1wez h VAL 69 CO 0.00 0.00 0.02 0.00 0.02 0.00 0.00 177.57 177.61 1wez h ALA 70 N 1.52 0.10 -0.95 1.67 0.00 0.21 -2.35 119.26 119.47 1wez h ALA 70 Ca 0.42 -0.14 0.24 0.00 0.00 0.00 0.00 54.91 55.44 1wez h ALA 70 Cb 1.74 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.44 1wez h ALA 70 CO -0.00 -0.27 0.64 0.00 0.00 0.00 0.00 179.25 179.62 1wez h ALA 71 N 0.79 2.41 0.00 0.00 0.00 0.12 1.32 119.26 123.91 1wez h ALA 71 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1wez h ALA 71 Cb 0.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1wez h ALA 71 CO 0.00 -0.72 0.00 -1.33 0.00 0.00 0.00 179.25 177.21 1wez n MET 72 N -4.46 0.06 0.26 0.00 2.81 -0.88 -1.56 117.12 113.34 1wez n MET 72 Ca 0.21 0.50 0.17 0.00 -1.81 0.00 0.00 57.70 56.77 1wez n MET 72 Cb 0.83 -1.67 0.90 0.00 -0.71 0.00 0.00 33.22 32.57 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 2.09 1.02 -0.21 3.04 0.00 0.17 0.30 119.26 125.67 1wez h ALA 73 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1wez h ALA 73 Cb 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.77 1wez h ALA 73 CO 0.00 -0.02 -0.41 1.63 0.00 0.00 0.00 179.25 180.45 1wez n LYS 74 N -2.68 1.93 -2.45 0.00 4.76 -0.60 -4.98 118.16 114.13 1wez n LYS 74 Ca -0.02 -3.39 -0.41 0.00 -2.87 0.00 0.00 58.31 51.62 1wez n LYS 74 Cb 0.08 -1.77 -0.04 0.00 -1.84 0.00 0.00 35.03 31.46 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 -3.07 7.17 0.00 4.39 -4.77 0.10 -3.31 116.67 117.18 1wez s ASP 75 Ca 0.42 2.11 0.00 0.00 -3.30 0.00 0.00 52.55 51.78 1wez s ASP 75 Cb 0.39 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.62 1wez s ASP 75 CO -0.04 -0.33 0.00 0.29 0.70 0.00 0.00 175.17 175.80 1wez n LYS 76 N 2.78 0.00 -1.44 2.11 4.76 -1.17 -4.95 118.16 120.26 1wez n LYS 76 Ca 0.05 0.00 -0.56 0.00 -2.87 0.00 0.00 58.31 54.93 1wez n LYS 76 Cb 0.46 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.57 1wez n LYS 76 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wez n ALA 77 N 0.00 -2.12 -2.49 7.82 0.00 -1.21 -3.72 120.51 118.79 1wez n ALA 77 Ca 0.00 0.48 -0.42 0.00 0.00 0.00 0.00 53.44 53.50 1wez n ALA 77 Cb 0.00 -1.62 -0.03 0.00 0.00 0.00 0.00 19.45 17.80 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 1.45 6.24 0.32 0.00 2.20 -1.26 -4.23 114.94 119.66 1wez s ASN 78 Ca 0.86 0.06 0.05 0.00 -0.94 0.00 0.00 52.86 52.90 1wez s ASN 78 Cb -1.22 -2.55 0.86 0.00 -2.00 0.00 0.00 41.25 36.34 1wez s ASN 78 CO 0.62 -1.66 1.57 -0.03 -2.94 0.00 0.00 177.10 174.66 1wez h MET 79 N 10.32 0.01 0.00 3.55 1.85 -1.86 -3.38 114.93 125.42 1wez h MET 79 Ca -0.26 -0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.83 1wez h MET 79 Cb 1.07 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.10 1wez h MET 79 CO 1.20 0.01 0.00 1.04 -0.40 0.00 0.00 176.91 178.76 1wez n GLN 80 N -5.44 0.00 -0.60 0.39 6.02 -1.26 -4.99 117.38 111.50 1wez n GLN 80 Ca 0.26 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 57.25 1wez n GLN 80 Cb 0.85 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 32.11 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 -2.19 0.00 -4.24 1.08 1.44 -1.26 -5.09 115.22 104.96 1wez n HIS 81 Ca 0.00 -0.07 -0.18 0.00 -2.01 0.00 0.00 57.72 55.46 1wez n HIS 81 Cb 0.00 0.12 -0.15 0.00 0.12 0.00 0.00 29.99 30.07 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 0.69 -0.66 -1.40 1.81 -1.26 -5.06 118.95 113.07 1wez s ARG 82 Ca 0.02 -0.21 -0.27 0.00 -1.72 0.00 0.00 55.73 53.55 1wez s ARG 82 Cb 0.03 -0.68 0.01 0.00 -0.45 0.00 0.00 34.95 33.86 1wez s ARG 82 CO -0.01 0.07 1.43 0.71 -0.68 0.00 0.00 175.30 176.83 1wez s TYR 83 N 0.22 2.17 0.07 -0.53 2.02 -1.26 -3.56 117.35 116.47 1wez s TYR 83 Ca -0.03 0.29 -0.20 0.00 -0.37 0.00 0.00 57.07 56.76 1wez s TYR 83 Cb -0.07 -4.45 -0.07 0.00 -0.40 0.00 0.00 41.96 36.97 1wez s TYR 83 CO -0.00 -2.08 0.59 0.14 -1.57 0.00 0.00 175.55 172.63 1wez s VAL 84 N 6.49 4.73 0.05 0.71 -7.23 -1.15 -4.74 120.40 119.26 1wez s VAL 84 Ca 0.47 1.26 -0.16 0.00 -1.81 0.00 0.00 61.98 61.74 1wez s VAL 84 Cb -0.10 -3.92 -0.06 0.00 0.56 0.00 0.00 36.38 32.86 1wez s VAL 84 CO 0.19 0.53 0.48 -1.61 -0.31 0.00 0.00 175.10 174.39 1wez s GLU 85 N -0.98 4.03 -0.13 4.82 0.41 0.56 -3.05 118.70 124.37 1wez s GLU 85 Ca 0.30 0.54 0.00 0.00 -0.41 0.00 0.00 54.97 55.40 1wez s GLU 85 Cb -0.20 -3.19 0.02 0.00 -1.78 0.00 0.00 34.13 28.98 1wez s GLU 85 CO 0.19 0.65 -0.13 -0.51 -0.49 0.00 0.00 175.26 174.97 1wez s LEU 86 N -1.21 1.56 -0.33 1.80 1.43 -1.26 -1.30 118.68 119.37 1wez s LEU 86 Ca 0.27 -0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 52.88 1wez s LEU 86 Cb -0.17 -1.07 0.03 0.00 0.03 0.00 0.00 46.19 45.01 1wez s LEU 86 CO 0.16 -0.06 0.11 -0.36 0.23 0.00 0.00 176.35 176.44 1wez s PHE 87 N 1.42 3.23 -0.82 0.29 0.40 -0.24 -4.93 117.98 117.33 1wez s PHE 87 Ca 0.02 -1.24 -0.26 0.00 -0.60 0.00 0.00 56.93 54.85 1wez s PHE 87 Cb -0.13 -2.29 0.03 0.00 0.51 0.00 0.00 43.02 41.14 1wez s PHE 87 CO -0.08 -0.68 1.34 -1.17 0.70 0.00 0.00 175.22 175.33 1wez s LEU 88 N 1.45 3.26 -0.42 -0.37 1.98 -1.26 -0.92 118.68 122.40 1wez s LEU 88 Ca -0.00 -0.74 -0.10 0.00 -2.89 0.00 0.00 54.13 50.40 1wez s LEU 88 Cb -0.19 -2.56 0.07 0.00 0.66 0.00 0.00 46.19 44.17 1wez s LEU 88 CO 0.03 -1.75 0.27 0.20 -1.89 0.00 0.00 176.35 173.21 1wez s ASN 89 N 4.17 5.73 0.19 3.68 0.01 -0.03 -4.99 114.94 123.70 1wez s ASN 89 Ca 0.39 -1.37 -0.04 0.00 -0.71 0.00 0.00 52.86 51.13 1wez s ASN 89 Cb -0.06 -2.02 -0.03 0.00 0.41 0.00 0.00 41.25 39.55 1wez s ASN 89 CO 0.08 -0.52 0.18 -0.94 -1.51 0.00 0.00 177.10 174.39 1wez s SER 90 N 2.07 0.14 -0.24 -1.22 1.04 -1.25 0.17 113.70 114.41 1wez s SER 90 Ca 0.03 -1.22 -0.03 0.00 0.48 0.00 0.00 55.95 55.21 1wez s SER 90 Cb -0.22 0.40 -0.18 0.00 0.10 0.00 0.00 66.02 66.12 1wez s SER 90 CO 0.04 -0.86 -0.15 0.41 0.98 0.00 0.00 173.24 173.65 1wez n THR 91 N -0.24 1.54 -1.39 2.02 -1.04 -1.25 -4.94 114.28 108.98 1wez n THR 91 Ca -0.01 -0.54 0.16 0.00 -2.04 0.00 0.00 64.05 61.62 1wez n THR 91 Cb 0.65 -1.56 -0.09 0.00 -1.82 0.00 0.00 70.33 67.51 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 -3.38 -3.64 -2.00 2.41 0.00 -1.26 -5.05 120.51 107.59 1wez n ALA 92 Ca -0.45 0.86 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1wez n ALA 92 Cb 0.97 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 -4.26 1.97 3.61 0.00 0.00 -1.26 -5.15 105.19 100.10 1wez n GLY 93 Ca -0.08 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 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 1.83 3.26 0.11 2.61 -1.32 -1.26 -5.14 115.64 115.74 1wez s THR 94 Ca 0.00 -1.96 0.10 0.00 -1.21 0.00 0.00 61.69 58.62 1wez s THR 94 Cb 0.00 -2.72 -0.04 0.00 -1.51 0.00 0.00 72.50 68.23 1wez s THR 94 CO 0.00 -0.35 -0.26 -0.55 -2.21 0.00 0.00 174.62 171.25 1wez s SER 95 N -3.54 3.18 0.33 8.08 0.15 -1.26 -5.15 113.70 115.50 1wez s SER 95 Ca 0.30 -0.71 0.07 0.00 0.70 0.00 0.00 55.95 56.31 1wez s SER 95 Cb -0.06 -0.22 -0.02 0.00 -1.71 0.00 0.00 66.02 64.00 1wez s SER 95 CO 0.19 0.18 0.35 -0.83 1.20 0.00 0.00 173.24 174.32 1wez s GLY 96 N -1.88 1.72 -0.10 9.45 0.00 -1.26 -5.13 107.32 110.11 1wez s GLY 96 Ca 0.13 -1.59 -0.10 0.00 0.00 0.00 0.00 44.72 43.16 1wez s GLY 96 CO 0.05 -1.51 0.28 -0.45 0.00 0.00 0.00 173.10 171.47 1wez s SER 97 N -4.05 -0.29 -0.48 1.64 0.15 -1.26 -5.10 113.70 104.32 1wez s SER 97 Ca 0.42 0.56 0.05 0.00 0.70 0.00 0.00 55.95 57.68 1wez s SER 97 Cb -0.07 0.57 0.22 0.00 -1.71 0.00 0.00 66.02 65.03 1wez s SER 97 CO 0.28 -0.10 0.86 0.61 1.20 0.00 0.00 173.24 176.10 1wez n GLY 98 N 2.92 -0.52 3.81 9.45 0.00 -1.26 -5.15 105.19 114.44 1wez n GLY 98 Ca -0.13 0.45 -0.32 0.00 0.00 0.00 0.00 46.02 46.02 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 0.75 3.23 0.26 1.61 0.04 -1.26 -5.07 135.00 134.56 1wez s PRO 99 Ca 0.30 1.09 0.10 0.00 0.04 0.00 0.00 61.00 62.53 1wez s PRO 99 Cb 0.12 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 1wez s PRO 99 CO -0.14 -0.87 -0.03 0.45 0.04 0.00 0.00 177.00 176.45 1wez s SER 100 N -3.18 4.42 -0.30 6.66 0.15 -1.26 -5.13 113.70 115.07 1wez s SER 100 Ca 0.61 -0.67 -0.17 0.00 0.70 0.00 0.00 55.95 56.42 1wez s SER 100 Cb -0.15 -0.78 0.18 0.00 -1.71 0.00 0.00 66.02 63.56 1wez s SER 100 CO 0.43 0.02 1.11 -0.44 1.20 0.00 0.00 173.24 175.55 1wez s SER 101 N -3.56 -0.36 0.00 5.45 0.01 -1.26 -5.37 113.70 108.62 1wez s SER 101 Ca 0.31 0.51 0.00 0.00 1.31 0.00 0.00 55.95 58.07 1wez s SER 101 Cb -0.07 1.34 0.00 0.00 0.21 0.00 0.00 66.02 67.51 1wez s SER 101 CO 0.19 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.38