#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wbp n HIS 68 N 0.00 0.00 -0.35 -0.72 8.25 -1.26 -5.08 115.22 116.06 1wbp n HIS 68 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 1wbp n HIS 68 Cb 0.00 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 1wbp n HIS 68 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1wbp n LEU 69 N 0.00 -0.89 -4.84 2.41 7.94 -1.26 -4.43 117.00 115.94 1wbp n LEU 69 Ca 0.00 1.59 -0.37 0.00 -1.11 0.00 0.00 56.01 56.12 1wbp n LEU 69 Cb 0.00 -0.24 -0.07 0.00 0.53 0.00 0.00 43.42 43.64 1wbp n LEU 69 CO 0.00 -1.27 -0.15 -0.69 -1.11 0.00 0.00 177.39 174.17 1wbp s VAL 70 N -5.22 5.46 0.08 1.96 1.01 -1.26 -5.10 120.40 117.33 1wbp s VAL 70 Ca -0.10 0.25 -0.14 0.00 0.00 0.00 0.00 61.98 61.98 1wbp s VAL 70 Cb 0.09 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 33.06 1wbp s VAL 70 CO 0.52 0.57 0.33 -1.59 0.00 0.00 0.00 175.10 174.93 1wbp s LYS 71 N -0.66 0.93 0.33 2.72 -2.85 -1.26 -5.12 119.74 113.83 1wbp s LYS 71 Ca 0.14 -0.65 -0.29 0.00 -1.00 0.00 0.00 55.97 54.17 1wbp s LYS 71 Cb -0.12 0.40 -0.12 0.00 -2.06 0.00 0.00 37.83 35.93 1wbp s LYS 71 CO 0.03 -0.33 1.38 -0.89 0.10 0.00 0.00 175.35 175.64 1wbp n ILE 72 N 0.13 1.74 -0.59 3.79 2.08 -1.26 -2.18 119.36 123.07 1wbp n ILE 72 Ca -0.17 -0.44 0.00 0.00 0.56 0.00 0.00 62.75 62.71 1wbp n ILE 72 Cb 0.62 -1.68 0.00 0.00 -0.75 0.00 0.00 39.64 37.83 1wbp n ILE 72 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1wbp n GLY 73 N 1.06 0.76 3.94 7.39 0.00 -0.83 -5.03 105.19 112.49 1wbp n GLY 73 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1wbp n GLY 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wbp s ASP 74 N -2.66 3.13 -0.09 1.61 1.11 -0.93 -4.84 116.67 114.01 1wbp s ASP 74 Ca 0.00 0.12 -0.06 0.00 0.18 0.00 0.00 52.55 52.79 1wbp s ASP 74 Cb 0.00 -0.15 0.03 0.00 1.07 0.00 0.00 42.92 43.87 1wbp s ASP 74 CO 0.00 -2.71 0.21 -0.22 1.18 0.00 0.00 175.17 173.64 1wbp s LEU 75 N -5.83 0.83 0.06 1.23 0.20 -1.26 -2.23 118.68 111.69 1wbp s LEU 75 Ca 0.74 0.44 0.04 0.00 0.69 0.00 0.00 54.13 56.05 1wbp s LEU 75 Cb -0.03 0.68 -0.03 0.00 -0.43 0.00 0.00 46.19 46.38 1wbp s LEU 75 CO 0.52 -0.12 -0.13 -0.36 -0.29 0.00 0.00 176.35 175.98 1wbp s PHE 76 N 0.70 1.08 -1.23 5.38 0.08 -0.81 -4.77 117.98 118.40 1wbp s PHE 76 Ca -0.05 -0.46 -0.08 0.00 0.12 0.00 0.00 56.93 56.46 1wbp s PHE 76 Cb -0.06 -0.61 0.06 0.00 -0.57 0.00 0.00 43.02 41.83 1wbp s PHE 76 CO -0.04 0.02 0.42 -1.71 -0.10 0.00 0.00 175.22 173.81 1wbp n ASN 77 N 1.38 -3.68 -1.73 1.36 5.15 -1.26 -1.44 115.26 115.05 1wbp n ASN 77 Ca -0.21 -0.30 -0.16 0.00 -0.60 0.00 0.00 54.58 53.31 1wbp n ASN 77 Cb 0.54 -3.06 -0.05 0.00 -0.53 0.00 0.00 39.78 36.68 1wbp n ASN 77 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wbp n GLY 78 N -1.11 1.01 0.00 8.20 0.00 -1.26 -4.63 105.19 107.40 1wbp n GLY 78 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1wbp n GLY 78 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1wbp n ARG 79 N -2.31 0.36 -3.34 1.61 1.85 -0.71 -4.96 116.66 109.17 1wbp n ARG 79 Ca -0.17 0.00 -0.46 0.00 -1.00 0.00 0.00 57.85 56.22 1wbp n ARG 79 Cb 0.57 -0.03 -0.05 0.00 -1.05 0.00 0.00 32.46 31.90 1wbp n ARG 79 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1wbp s TYR 80 N 0.00 3.32 -0.61 2.89 1.51 -0.52 -1.03 117.35 122.90 1wbp s TYR 80 Ca 0.00 -1.42 -0.24 0.00 -1.01 0.00 0.00 57.07 54.40 1wbp s TYR 80 Cb 0.00 -3.77 0.05 0.00 -0.11 0.00 0.00 41.96 38.14 1wbp s TYR 80 CO 0.00 -1.01 0.98 -1.58 -1.11 0.00 0.00 175.55 172.82 1wbp s HIS 81 N 1.43 2.70 0.29 2.71 2.46 -0.40 -1.93 115.29 122.55 1wbp s HIS 81 Ca 0.05 -0.26 -0.30 0.00 0.47 0.00 0.00 55.06 55.02 1wbp s HIS 81 Cb -0.28 -4.21 -0.12 0.00 -0.13 0.00 0.00 32.58 27.84 1wbp s HIS 81 CO 0.01 -1.54 1.56 1.33 -2.47 0.00 0.00 174.74 173.63 1wbp n VAL 82 N 6.09 1.08 -0.08 0.89 0.24 -0.95 -1.06 118.33 124.53 1wbp n VAL 82 Ca -0.01 -0.27 -0.16 0.00 -2.04 0.00 0.00 64.34 61.86 1wbp n VAL 82 Cb 0.47 -1.88 -0.06 0.00 -1.47 0.00 0.00 33.84 30.89 1wbp n VAL 82 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1wbp n ILE 83 N 1.99 0.92 -3.69 1.34 2.08 0.22 -1.96 119.36 120.26 1wbp n ILE 83 Ca 0.09 -0.26 -0.04 0.00 0.56 0.00 0.00 62.75 63.09 1wbp n ILE 83 Cb 0.36 -1.55 -0.01 0.00 -0.75 0.00 0.00 39.64 37.68 1wbp n ILE 83 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1wbp s ARG 84 N -2.31 1.03 0.11 0.38 1.70 -0.82 -4.82 118.95 114.21 1wbp s ARG 84 Ca -0.23 -0.54 -0.21 0.00 -0.47 0.00 0.00 55.73 54.28 1wbp s ARG 84 Cb 0.08 0.37 -0.07 0.00 -0.57 0.00 0.00 34.95 34.76 1wbp s ARG 84 CO 0.31 -0.47 0.64 0.21 -1.08 0.00 0.00 175.30 174.91 1wbp s LYS 85 N -3.16 4.31 0.00 3.89 2.20 -1.26 0.13 119.74 125.85 1wbp s LYS 85 Ca 0.11 0.87 0.14 0.00 -0.36 0.00 0.00 55.97 56.73 1wbp s LYS 85 Cb -0.01 -3.23 0.17 0.00 -1.51 0.00 0.00 37.83 33.26 1wbp s LYS 85 CO -0.01 0.61 1.03 1.28 -0.36 0.00 0.00 175.35 177.90 1wbp n LEU 86 N 1.63 2.40 0.00 5.43 4.77 0.62 -4.80 117.00 127.04 1wbp n LEU 86 Ca -0.09 -1.23 0.00 0.00 -0.03 0.00 0.00 56.01 54.67 1wbp n LEU 86 Cb 0.50 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1wbp n LEU 86 CO 0.43 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 1wbp n GLY 87 N 0.79 4.02 2.93 -0.72 0.00 -1.25 -4.96 105.19 106.01 1wbp n GLY 87 Ca 0.10 -1.60 -0.13 0.00 0.00 0.00 0.00 46.02 44.39 1wbp n GLY 87 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1wbp s TRP 88 N -2.06 -0.10 0.37 1.61 -2.14 -1.26 -1.95 118.94 113.42 1wbp s TRP 88 Ca 0.00 0.28 0.06 0.00 2.66 0.00 0.00 56.10 59.10 1wbp s TRP 88 Cb 0.00 -0.03 0.06 0.00 -3.10 0.00 0.00 33.47 30.40 1wbp s TRP 88 CO 0.00 -0.08 0.49 0.41 -2.66 0.00 0.00 176.95 175.11 1wbp n GLY 89 N 3.44 2.06 0.48 3.67 0.00 -0.73 -4.99 105.19 109.13 1wbp n GLY 89 Ca -0.17 -2.20 0.13 0.00 0.00 0.00 0.00 46.02 43.77 1wbp n GLY 89 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1wbp n HIS 90 N -1.76 0.08 0.00 1.61 -0.00 -1.26 -4.13 115.22 109.75 1wbp n HIS 90 Ca 0.09 -0.04 0.00 0.00 0.46 0.00 0.00 57.72 58.23 1wbp n HIS 90 Cb 0.39 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.26 1wbp n HIS 90 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1wbp n PHE 91 N 0.17 0.00 -4.10 1.57 3.72 -1.26 -5.00 117.46 112.55 1wbp n PHE 91 Ca 0.18 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.54 1wbp n PHE 91 Cb 0.33 0.02 -0.01 0.00 -0.94 0.00 0.00 39.48 38.88 1wbp n PHE 91 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1wbp n SER 92 N -2.61 1.77 -3.68 4.37 3.41 -1.26 0.03 113.62 115.65 1wbp n SER 92 Ca 0.00 -1.34 -0.11 0.00 -0.26 0.00 0.00 58.87 57.16 1wbp n SER 92 Cb 0.45 0.09 -0.09 0.00 -0.26 0.00 0.00 64.21 64.41 1wbp n SER 92 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1wbp s THR 93 N -1.46 -0.01 -0.04 6.66 2.01 -1.09 -1.77 115.64 119.94 1wbp s THR 93 Ca 0.01 0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.08 1wbp s THR 93 Cb 0.00 -0.80 -0.02 0.00 0.01 0.00 0.00 72.50 71.69 1wbp s THR 93 CO 0.01 0.01 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.09 1wbp s VAL 94 N 0.86 2.86 0.07 3.82 1.01 -0.82 0.19 120.40 128.39 1wbp s VAL 94 Ca -0.05 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.21 1wbp s VAL 94 Cb -0.05 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 1wbp s VAL 94 CO -0.07 0.59 -0.21 0.26 0.00 0.00 0.00 175.10 175.67 1wbp s TRP 95 N -0.71 1.83 -0.45 5.22 0.52 -0.13 -0.28 118.94 124.93 1wbp s TRP 95 Ca 0.11 -0.39 -0.19 0.00 0.02 0.00 0.00 56.10 55.65 1wbp s TRP 95 Cb -0.10 -1.05 0.03 0.00 -1.15 0.00 0.00 33.47 31.19 1wbp s TRP 95 CO 0.00 0.14 0.58 -1.17 0.02 0.00 0.00 176.95 176.53 1wbp s LEU 96 N -1.48 4.73 0.16 2.99 2.96 0.34 0.16 118.68 128.54 1wbp s LEU 96 Ca 0.07 -0.60 0.07 0.00 -0.22 0.00 0.00 54.13 53.45 1wbp s LEU 96 Cb -0.09 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 44.00 1wbp s LEU 96 CO 0.03 -0.76 -0.15 -0.94 -1.32 0.00 0.00 176.35 173.20 1wbp s SER 97 N 2.16 2.34 -0.07 3.68 1.04 -0.88 0.68 113.70 122.65 1wbp s SER 97 Ca 0.18 -0.89 -0.17 0.00 0.48 0.00 0.00 55.95 55.55 1wbp s SER 97 Cb -0.16 -0.11 -0.05 0.00 0.10 0.00 0.00 66.02 65.80 1wbp s SER 97 CO 0.15 -0.13 0.44 0.86 0.98 0.00 0.00 173.24 175.55 1wbp s TRP 98 N -2.39 3.61 -0.51 5.02 -0.11 -0.22 -1.45 118.94 122.89 1wbp s TRP 98 Ca 0.15 0.93 -0.19 0.00 1.22 0.00 0.00 56.10 58.20 1wbp s TRP 98 Cb -0.04 -2.44 0.06 0.00 -1.50 0.00 0.00 33.47 29.56 1wbp s TRP 98 CO 0.05 0.38 0.64 0.34 -4.62 0.00 0.00 176.95 173.74 1wbp s ASP 99 N -0.13 6.23 0.30 5.86 3.68 0.52 -1.28 116.67 131.85 1wbp s ASP 99 Ca 0.25 -0.89 -0.02 0.00 2.13 0.00 0.00 52.55 54.01 1wbp s ASP 99 Cb -0.16 -2.30 0.44 0.00 -1.45 0.00 0.00 42.92 39.45 1wbp s ASP 99 CO 0.11 -0.91 1.96 0.40 0.13 0.00 0.00 175.17 176.86 1wbp h ILE 100 N 5.87 1.21 0.15 4.11 2.04 -1.37 -1.03 117.51 128.50 1wbp h ILE 100 Ca -0.27 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 1wbp h ILE 100 Cb 1.09 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1wbp h ILE 100 CO 0.97 0.21 -0.07 -0.61 0.00 0.00 0.00 178.15 178.65 1wbp h GLN 101 N 1.10 -0.19 -0.99 2.37 4.15 -1.92 -3.23 115.11 116.40 1wbp h GLN 101 Ca 0.29 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.70 1wbp h GLN 101 Cb -0.10 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 1wbp h GLN 101 CO -0.06 -0.13 0.04 0.41 -1.93 0.00 0.00 178.83 177.16 1wbp n GLY 102 N -0.06 2.03 2.73 2.39 0.00 -1.24 -4.88 105.19 106.16 1wbp n GLY 102 Ca -0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 1wbp n GLY 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wbp n LYS 103 N 0.26 -0.99 -4.10 1.61 5.02 -0.41 -4.85 118.16 114.71 1wbp n LYS 103 Ca 0.04 0.02 -0.10 0.00 -2.02 0.00 0.00 58.31 56.25 1wbp n LYS 103 Cb 0.52 -0.61 -0.09 0.00 -0.02 0.00 0.00 35.03 34.83 1wbp n LYS 103 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1wbp s LYS 104 N -3.57 1.13 0.22 1.97 -2.85 -1.10 -4.97 119.74 110.57 1wbp s LYS 104 Ca 0.01 -1.41 -0.13 0.00 -1.00 0.00 0.00 55.97 53.44 1wbp s LYS 104 Cb -0.01 0.31 -0.08 0.00 -2.06 0.00 0.00 37.83 36.00 1wbp s LYS 104 CO 0.17 -0.38 0.60 -0.06 0.10 0.00 0.00 175.35 175.77 1wbp s PHE 105 N -4.06 3.50 0.22 1.78 0.08 -1.26 -0.35 117.98 117.89 1wbp s PHE 105 Ca 0.27 1.04 -0.01 0.00 0.12 0.00 0.00 56.93 58.35 1wbp s PHE 105 Cb 0.05 -2.38 -0.04 0.00 -0.57 0.00 0.00 43.02 40.09 1wbp s PHE 105 CO 0.05 0.30 0.18 0.14 -0.10 0.00 0.00 175.22 175.79 1wbp s VAL 106 N -1.70 0.00 -0.21 -0.44 -7.23 -0.53 -4.51 120.40 105.79 1wbp s VAL 106 Ca 0.45 -1.95 -0.02 0.00 -1.81 0.00 0.00 61.98 58.64 1wbp s VAL 106 Cb -0.13 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.33 1wbp s VAL 106 CO 0.20 0.00 -0.08 0.00 -0.31 0.00 0.00 175.10 174.90 1wbp s ALA 107 N -4.04 2.68 -0.38 1.32 0.00 0.11 -2.07 121.76 119.38 1wbp s ALA 107 Ca 0.38 -1.21 -0.10 0.00 0.00 0.00 0.00 51.96 51.03 1wbp s ALA 107 Cb 0.06 -1.57 0.04 0.00 0.00 0.00 0.00 23.12 21.65 1wbp s ALA 107 CO 0.14 -0.45 0.20 1.41 0.00 0.00 0.00 175.76 177.06 1wbp s MET 108 N 1.42 2.75 -0.27 0.00 0.00 0.12 -1.04 119.30 122.28 1wbp s MET 108 Ca 0.05 -1.16 -0.24 0.00 0.00 0.00 0.00 55.69 54.34 1wbp s MET 108 Cb -0.14 -3.70 -0.00 0.00 0.00 0.00 0.00 34.83 30.99 1wbp s MET 108 CO -0.06 -0.74 0.81 0.21 0.00 0.00 0.00 175.02 175.24 1wbp s LYS 109 N 1.51 4.10 -0.51 4.11 2.20 0.59 -0.96 119.74 130.78 1wbp s LYS 109 Ca 0.01 0.80 -0.03 0.00 -0.36 0.00 0.00 55.97 56.39 1wbp s LYS 109 Cb -0.20 -3.68 0.13 0.00 -1.51 0.00 0.00 37.83 32.58 1wbp s LYS 109 CO 0.05 -0.58 0.32 0.08 -0.36 0.00 0.00 175.35 174.86 1wbp s VAL 110 N 2.89 3.51 0.43 4.02 1.01 0.13 -0.84 120.40 131.55 1wbp s VAL 110 Ca 0.34 -2.47 -0.26 0.00 0.00 0.00 0.00 61.98 59.59 1wbp s VAL 110 Cb -0.15 -3.35 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 1wbp s VAL 110 CO 0.09 -0.78 1.43 -0.69 0.00 0.00 0.00 175.10 175.15 1wbp s VAL 111 N 0.59 2.11 0.56 2.92 1.01 -0.05 -2.68 120.40 124.86 1wbp s VAL 111 Ca 0.12 0.10 -0.21 0.00 0.00 0.00 0.00 61.98 62.00 1wbp s VAL 111 Cb -0.22 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1wbp s VAL 111 CO -0.04 0.02 1.29 -0.54 0.00 0.00 0.00 175.10 175.83 1wbp s LYS 112 N -2.34 3.12 0.56 2.72 1.02 0.10 -4.01 119.74 120.93 1wbp s LYS 112 Ca 0.59 2.05 0.27 0.00 0.02 0.00 0.00 55.97 58.90 1wbp s LYS 112 Cb -0.44 -2.16 1.51 0.00 -0.52 0.00 0.00 37.83 36.23 1wbp s LYS 112 CO 0.57 -1.15 2.03 0.66 -0.92 0.00 0.00 175.35 176.55 1wbp h SER 113 N 1.31 0.00 -1.05 2.83 4.64 -1.89 -3.40 113.55 115.99 1wbp h SER 113 Ca -0.51 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.40 1wbp h SER 113 Cb 1.30 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 63.49 1wbp h SER 113 CO 0.57 0.00 -0.59 0.00 -0.87 0.00 0.00 176.83 175.94 1wbp n ALA 114 N -2.45 -2.42 0.13 5.18 0.00 -1.26 -4.69 120.51 115.00 1wbp n ALA 114 Ca 0.05 0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.48 1wbp n ALA 114 Cb 0.46 -0.99 -0.07 0.00 0.00 0.00 0.00 19.45 18.85 1wbp n ALA 114 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1wbp h GLU 115 N 0.28 -0.60 0.19 0.00 4.81 -1.96 -2.65 114.58 114.64 1wbp h GLU 115 Ca -0.24 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.04 1wbp h GLU 115 Cb 0.96 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 1wbp h GLU 115 CO 0.32 -0.40 -0.25 1.25 -0.73 0.00 0.00 179.01 179.20 1wbp h HIS 116 N -0.62 -0.67 -0.78 0.92 2.76 -1.97 -2.06 115.15 112.73 1wbp h HIS 116 Ca -0.02 0.01 0.18 0.00 -2.20 0.00 0.00 60.37 58.34 1wbp h HIS 116 Cb 0.58 0.27 -0.13 0.00 1.55 0.00 0.00 27.41 29.68 1wbp h HIS 116 CO -0.33 -0.36 0.05 1.88 -1.30 0.00 0.00 177.93 177.87 1wbp h TYR 117 N -0.50 0.04 -0.44 5.26 0.05 -1.88 0.40 116.97 119.91 1wbp h TYR 117 Ca 0.01 0.05 -0.06 0.00 0.05 0.00 0.00 58.73 58.79 1wbp h TYR 117 Cb 0.49 0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.32 1wbp h TYR 117 CO -0.20 -0.23 0.03 1.15 -1.05 0.00 0.00 178.16 177.86 1wbp h THR 118 N 0.13 1.22 -0.19 -2.88 2.02 -1.22 -0.38 112.91 111.61 1wbp h THR 118 Ca 0.44 -0.88 -0.04 0.00 0.77 0.00 0.00 66.41 66.70 1wbp h THR 118 Cb 0.79 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1wbp h THR 118 CO -0.66 0.31 -0.02 -0.08 0.37 0.00 0.00 175.52 175.44 1wbp h GLU 119 N 0.66 0.36 0.00 6.66 4.81 0.45 -2.98 114.58 124.53 1wbp h GLU 119 Ca 0.14 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1wbp h GLU 119 Cb 0.37 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1wbp h GLU 119 CO 0.01 0.59 0.00 1.79 -0.73 0.00 0.00 179.01 180.67 1wbp h THR 120 N 0.09 0.00 -0.15 0.32 1.35 -1.02 -3.03 112.91 110.48 1wbp h THR 120 Ca 0.05 -0.69 -0.13 0.00 -0.55 0.00 0.00 66.41 65.09 1wbp h THR 120 Cb 0.44 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 68.51 1wbp h THR 120 CO 0.01 0.00 -0.47 0.00 -0.25 0.00 0.00 175.52 174.81 1wbp h ALA 121 N 2.21 0.91 -0.26 6.62 0.00 -0.98 -2.75 119.26 125.01 1wbp h ALA 121 Ca 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1wbp h ALA 121 Cb 0.79 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1wbp h ALA 121 CO 0.00 0.65 0.11 -0.07 0.00 0.00 0.00 179.25 179.94 1wbp h LEU 122 N 0.31 0.36 -0.76 0.00 3.38 -1.40 -2.69 115.31 114.51 1wbp h LEU 122 Ca 0.02 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 57.91 1wbp h LEU 122 Cb 0.95 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.54 1wbp h LEU 122 CO 0.08 0.43 0.42 0.44 0.09 0.00 0.00 178.44 179.90 1wbp h ASP 123 N 0.28 0.60 0.01 -0.43 3.32 -1.56 0.84 116.42 119.47 1wbp h ASP 123 Ca 0.09 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1wbp h ASP 123 Cb 0.18 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 1wbp h ASP 123 CO -0.01 0.36 -0.00 -0.08 -1.72 0.00 0.00 179.24 177.78 1wbp h GLU 124 N 0.73 0.00 0.05 3.56 4.81 -1.19 -1.30 114.58 121.24 1wbp h GLU 124 Ca 0.36 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.32 1wbp h GLU 124 Cb 0.31 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1wbp h GLU 124 CO -0.23 0.00 -1.39 0.82 -0.73 0.00 0.00 179.01 177.48 1wbp h ILE 125 N 0.00 1.27 0.08 2.32 2.04 -0.67 -0.73 117.51 121.83 1wbp h ILE 125 Ca -0.00 -2.98 0.01 0.00 1.00 0.00 0.00 64.86 62.89 1wbp h ILE 125 Cb 0.01 2.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.78 1wbp h ILE 125 CO 0.00 0.80 -0.17 0.03 0.00 0.00 0.00 178.15 178.81 1wbp h ARG 126 N 0.03 -0.31 0.71 2.37 3.08 -0.10 -0.35 114.38 119.81 1wbp h ARG 126 Ca -0.17 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 1wbp h ARG 126 Cb 1.94 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 32.05 1wbp h ARG 126 CO 0.13 -0.21 -0.42 -0.07 -1.07 0.00 0.00 179.97 178.34 1wbp h LEU 127 N -0.32 -1.05 -1.80 3.04 3.38 -1.42 -2.17 115.31 114.98 1wbp h LEU 127 Ca 0.03 0.06 0.26 0.00 0.09 0.00 0.00 57.88 58.31 1wbp h LEU 127 Cb 0.35 0.30 -0.05 0.00 0.09 0.00 0.00 40.66 41.34 1wbp h LEU 127 CO -0.10 -0.65 0.66 -0.07 0.09 0.00 0.00 178.44 178.37 1wbp h LEU 128 N -1.05 0.16 -0.29 1.67 3.38 -1.08 0.39 115.31 118.49 1wbp h LEU 128 Ca -0.10 0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.70 1wbp h LEU 128 Cb 0.84 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1wbp h LEU 128 CO 0.11 0.05 -0.65 0.11 0.09 0.00 0.00 178.44 178.15 1wbp h LYS 129 N 0.15 0.77 -0.13 1.13 1.57 -0.83 -1.11 116.57 118.11 1wbp h LYS 129 Ca 0.48 -0.54 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1wbp h LYS 129 Cb 1.63 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 34.02 1wbp h LYS 129 CO -0.09 1.17 0.08 1.03 -0.57 0.00 0.00 179.45 181.07 1wbp h SER 130 N 0.56 0.16 -0.33 0.86 0.87 0.30 0.16 113.55 116.13 1wbp h SER 130 Ca -0.01 -0.05 0.10 0.00 -1.23 0.00 0.00 61.79 60.59 1wbp h SER 130 Cb 1.25 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.16 1wbp h SER 130 CO 0.13 0.17 0.28 0.58 -0.53 0.00 0.00 176.83 177.46 1wbp h VAL 131 N 0.14 0.63 0.18 2.23 2.07 -0.72 0.44 116.25 121.22 1wbp h VAL 131 Ca 0.05 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.23 1wbp h VAL 131 Cb 0.04 0.79 0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1wbp h VAL 131 CO -0.01 0.00 -1.62 -0.09 0.02 0.00 0.00 177.57 175.88 1wbp h ARG 132 N 0.00 0.38 0.08 1.57 2.43 0.25 -3.41 114.38 115.68 1wbp h ARG 132 Ca 0.16 -0.66 -0.37 0.00 -0.81 0.00 0.00 59.98 58.30 1wbp h ARG 132 Cb 0.72 0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 30.48 1wbp h ARG 132 CO -0.00 1.29 -2.16 0.09 -1.51 0.00 0.00 179.97 177.68 1wbp n ASN 133 N -3.58 2.07 -0.32 -3.80 3.02 0.40 -4.45 115.26 108.59 1wbp n ASN 133 Ca -0.20 0.09 0.26 0.00 -0.03 0.00 0.00 54.58 54.70 1wbp n ASN 133 Cb 1.07 -0.70 0.41 0.00 -0.61 0.00 0.00 39.78 39.95 1wbp n ASN 133 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1wbp n SER 134 N -3.40 0.06 0.00 6.41 7.64 0.15 -3.96 113.62 120.52 1wbp n SER 134 Ca -0.37 0.67 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1wbp n SER 134 Cb 1.03 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.90 1wbp n SER 134 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1wbp n ASP 135 N -3.45 0.00 0.27 6.43 -0.08 -1.26 -4.91 116.55 113.56 1wbp n ASP 135 Ca 0.24 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.67 1wbp n ASP 135 Cb 0.99 0.00 0.76 0.00 2.34 0.00 0.00 41.12 45.21 1wbp n ASP 135 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1wbp h PRO 136 N 0.00 0.00 0.00 -0.67 0.13 -1.78 -2.81 132.00 126.87 1wbp h PRO 136 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wbp h PRO 136 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wbp h PRO 136 CO 0.00 0.08 0.00 0.09 -0.23 0.00 0.00 178.00 177.94 1wbp n ASN 137 N -3.35 0.10 -4.68 1.44 3.02 -1.26 -4.74 115.26 105.78 1wbp n ASN 137 Ca -0.01 0.51 -0.41 0.00 -0.03 0.00 0.00 54.58 54.64 1wbp n ASN 137 Cb 0.26 -0.54 -0.04 0.00 -0.61 0.00 0.00 39.78 38.85 1wbp n ASN 137 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1wbp s ASP 138 N -3.19 7.00 0.39 6.41 2.15 -1.06 -4.90 116.67 123.46 1wbp s ASP 138 Ca 0.13 1.23 0.28 0.00 0.43 0.00 0.00 52.55 54.62 1wbp s ASP 138 Cb 0.18 -2.46 1.08 0.00 -0.30 0.00 0.00 42.92 41.42 1wbp s ASP 138 CO 0.52 -0.36 1.82 1.55 -0.17 0.00 0.00 175.17 178.53 1wbp h PRO 139 N 7.22 0.00 -0.07 4.34 0.13 -1.89 -2.58 132.00 139.14 1wbp h PRO 139 Ca -0.31 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.75 1wbp h PRO 139 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1wbp h PRO 139 CO 0.82 0.00 -0.27 -0.91 -0.23 0.00 0.00 178.00 177.42 1wbp h ASN 140 N 0.00 0.13 -1.02 1.44 2.35 -1.90 -3.02 115.58 113.55 1wbp h ASN 140 Ca 0.00 -0.04 0.35 0.00 -0.55 0.00 0.00 56.30 56.06 1wbp h ASN 140 Cb 0.50 -0.03 -0.15 0.00 0.05 0.00 0.00 38.32 38.68 1wbp h ASN 140 CO 0.00 0.40 0.58 -0.09 -1.65 0.00 0.00 177.43 176.67 1wbp h ARG 141 N 0.12 0.24 0.00 0.81 2.43 -1.75 0.30 114.38 116.53 1wbp h ARG 141 Ca 0.02 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1wbp h ARG 141 Cb 0.55 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1wbp h ARG 141 CO 0.04 0.16 0.00 0.39 -1.51 0.00 0.00 179.97 179.05 1wbp n GLU 142 N -5.07 0.26 0.00 0.20 -0.58 -1.14 -2.26 120.64 112.05 1wbp n GLU 142 Ca 0.33 0.08 0.14 0.00 -0.42 0.00 0.00 57.16 57.29 1wbp n GLU 142 Cb 1.07 -1.50 0.56 0.00 -0.57 0.00 0.00 31.44 31.00 1wbp n GLU 142 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1wbp n MET 143 N -1.12 1.22 -4.56 3.49 2.81 0.11 -4.83 117.12 114.24 1wbp n MET 143 Ca 0.07 -0.61 -0.26 0.00 -1.81 0.00 0.00 57.70 55.08 1wbp n MET 143 Cb 0.06 -1.49 -0.14 0.00 -0.71 0.00 0.00 33.22 30.94 1wbp n MET 143 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1wbp s VAL 144 N -2.20 1.86 0.12 2.03 1.01 -0.96 -0.12 120.40 122.14 1wbp s VAL 144 Ca 0.35 -1.41 -0.31 0.00 0.00 0.00 0.00 61.98 60.60 1wbp s VAL 144 Cb 0.21 -1.63 -0.10 0.00 0.00 0.00 0.00 36.38 34.86 1wbp s VAL 144 CO 0.41 0.15 1.68 0.68 0.00 0.00 0.00 175.10 178.01 1wbp s VAL 145 N -0.94 2.72 -0.04 2.92 -7.23 -0.61 -4.80 120.40 112.43 1wbp s VAL 145 Ca 0.09 0.33 -0.13 0.00 -1.81 0.00 0.00 61.98 60.46 1wbp s VAL 145 Cb -0.10 -3.21 -0.05 0.00 0.56 0.00 0.00 36.38 33.58 1wbp s VAL 145 CO 0.03 0.01 0.35 -1.10 -0.31 0.00 0.00 175.10 174.08 1wbp s GLN 146 N 2.15 3.88 -0.34 4.82 -1.52 -1.26 -5.02 119.66 122.38 1wbp s GLN 146 Ca 0.75 0.29 -0.25 0.00 -1.95 0.00 0.00 55.36 54.20 1wbp s GLN 146 Cb -0.43 -3.24 0.01 0.00 -0.22 0.00 0.00 33.01 29.12 1wbp s GLN 146 CO 0.33 0.64 0.86 -1.17 -0.25 0.00 0.00 175.29 175.70 1wbp s LEU 147 N -0.84 4.05 -0.08 2.90 2.96 -1.26 -4.46 118.68 121.95 1wbp s LEU 147 Ca 0.22 0.62 -0.23 0.00 -0.22 0.00 0.00 54.13 54.52 1wbp s LEU 147 Cb -0.15 -3.17 -0.19 0.00 0.50 0.00 0.00 46.19 43.17 1wbp s LEU 147 CO 0.11 -0.74 0.87 -0.07 -1.32 0.00 0.00 176.35 175.20 1wbp h LEU 148 N 9.76 -0.07 -7.84 -0.68 3.38 -1.33 -3.49 115.31 115.03 1wbp h LEU 148 Ca -0.24 -0.56 -0.03 0.00 0.09 0.00 0.00 57.88 57.14 1wbp h LEU 148 Cb 1.09 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.75 1wbp h LEU 148 CO 0.93 0.60 -0.04 -0.62 0.09 0.00 0.00 178.44 179.41 1wbp s ASP 149 N -5.76 -0.19 0.04 -0.43 2.15 -1.19 -4.99 116.67 106.31 1wbp s ASP 149 Ca -0.14 -0.61 -0.08 0.00 0.43 0.00 0.00 52.55 52.14 1wbp s ASP 149 Cb -0.00 0.57 -0.00 0.00 -0.30 0.00 0.00 42.92 43.18 1wbp s ASP 149 CO 0.55 -1.06 0.17 1.51 -0.17 0.00 0.00 175.17 176.18 1wbp s ASP 150 N -2.91 0.08 -0.02 -0.34 -4.77 -1.26 -0.55 116.67 106.90 1wbp s ASP 150 Ca 0.12 -0.44 -0.17 0.00 -3.30 0.00 0.00 52.55 48.77 1wbp s ASP 150 Cb -0.01 0.28 0.05 0.00 -1.09 0.00 0.00 42.92 42.16 1wbp s ASP 150 CO -0.00 -0.57 0.75 2.22 0.70 0.00 0.00 175.17 178.27 1wbp n PHE 151 N 0.61 -0.22 -4.33 2.11 1.16 -0.56 -5.00 117.46 111.23 1wbp n PHE 151 Ca -0.18 -0.38 -0.18 0.00 -1.87 0.00 0.00 57.45 54.83 1wbp n PHE 151 Cb 0.59 0.17 -0.10 0.00 -1.61 0.00 0.00 39.48 38.53 1wbp n PHE 151 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 1wbp s LYS 152 N -2.01 1.29 -0.15 3.97 1.02 -1.26 -0.43 119.74 122.17 1wbp s LYS 152 Ca 0.18 -1.55 -0.12 0.00 0.02 0.00 0.00 55.97 54.50 1wbp s LYS 152 Cb -0.00 -1.09 0.04 0.00 -0.52 0.00 0.00 37.83 36.26 1wbp s LYS 152 CO -0.01 0.18 0.38 0.96 -0.92 0.00 0.00 175.35 175.95 1wbp s ILE 153 N -2.88 -0.01 0.09 2.17 -4.36 -0.89 -4.90 121.20 110.41 1wbp s ILE 153 Ca 0.21 0.03 0.05 0.00 -0.26 0.00 0.00 60.65 60.68 1wbp s ILE 153 Cb -0.01 -0.54 -0.04 0.00 1.25 0.00 0.00 42.46 43.12 1wbp s ILE 153 CO 0.06 0.01 -0.01 -0.55 0.24 0.00 0.00 174.94 174.69 1wbp s SER 154 N 0.56 4.97 0.01 4.36 0.15 -1.26 -0.28 113.70 122.22 1wbp s SER 154 Ca -0.03 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.44 1wbp s SER 154 Cb -0.05 -1.17 -0.00 0.00 -1.71 0.00 0.00 66.02 63.09 1wbp s SER 154 CO -0.03 0.18 0.01 0.61 1.20 0.00 0.00 173.24 175.21 1wbp n GLY 155 N 0.63 4.02 0.31 9.45 0.00 -0.86 -5.00 105.19 113.74 1wbp n GLY 155 Ca -0.11 -1.75 0.10 0.00 0.00 0.00 0.00 46.02 44.26 1wbp n GLY 155 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wbp h VAL 156 N 1.03 0.20 0.00 1.61 2.07 -2.02 -3.36 116.25 115.78 1wbp h VAL 156 Ca -0.01 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1wbp h VAL 156 Cb 0.04 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1wbp h VAL 156 CO 0.01 0.01 0.00 0.59 0.02 0.00 0.00 177.57 178.21 1wbp n ASN 157 N -5.40 0.00 0.00 0.57 3.02 -1.26 -5.07 115.26 107.12 1wbp n ASN 157 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 1wbp n ASN 157 Cb 0.61 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.78 1wbp n ASN 157 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wbp n GLY 158 N 0.64 5.11 3.82 7.41 0.00 -1.26 -5.13 105.19 115.78 1wbp n GLY 158 Ca 0.00 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.72 1wbp n GLY 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wbp s THR 159 N 3.05 5.31 -0.08 2.61 -4.23 -1.26 -2.03 115.64 119.01 1wbp s THR 159 Ca 0.00 0.14 -0.02 0.00 -1.18 0.00 0.00 61.69 60.63 1wbp s THR 159 Cb 0.00 -3.32 -0.03 0.00 1.34 0.00 0.00 72.50 70.48 1wbp s THR 159 CO 0.00 0.59 0.01 -1.00 -0.54 0.00 0.00 174.62 173.67 1wbp s HIS 160 N -0.76 3.16 0.05 3.99 0.09 0.62 -4.61 115.29 117.84 1wbp s HIS 160 Ca 0.13 0.19 -0.17 0.00 -0.00 0.00 0.00 55.06 55.21 1wbp s HIS 160 Cb -0.12 -1.78 -0.06 0.00 -0.00 0.00 0.00 32.58 30.62 1wbp s HIS 160 CO 0.03 0.48 0.51 0.42 -0.00 0.00 0.00 174.74 176.17 1wbp s ILE 161 N -0.91 4.86 -0.04 0.60 -1.09 -1.26 -2.10 121.20 121.25 1wbp s ILE 161 Ca 0.14 1.05 0.05 0.00 -2.23 0.00 0.00 60.65 59.67 1wbp s ILE 161 Cb -0.11 -3.82 -0.01 0.00 -1.58 0.00 0.00 42.46 36.94 1wbp s ILE 161 CO 0.03 0.55 -0.20 0.00 -1.23 0.00 0.00 174.94 174.10 1wbp s MET 163 N -0.07 2.10 -0.19 0.00 -1.94 -0.02 -1.50 119.30 117.68 1wbp s MET 163 Ca -0.03 -0.71 -0.05 0.00 -1.71 0.00 0.00 55.69 53.20 1wbp s MET 163 Cb -0.12 -1.78 -0.03 0.00 2.01 0.00 0.00 34.83 34.91 1wbp s MET 163 CO 0.02 0.27 0.01 0.08 -0.01 0.00 0.00 175.02 175.39 1wbp s VAL 164 N 0.04 4.11 0.14 -6.03 1.01 0.29 -0.30 120.40 119.67 1wbp s VAL 164 Ca -0.06 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 61.72 1wbp s VAL 164 Cb -0.13 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1wbp s VAL 164 CO 0.03 0.44 -0.12 -0.36 0.00 0.00 0.00 175.10 175.09 1wbp s PHE 165 N 0.83 1.37 1.06 5.22 0.08 -0.21 -0.77 117.98 125.57 1wbp s PHE 165 Ca 0.01 -0.65 -0.12 0.00 0.12 0.00 0.00 56.93 56.29 1wbp s PHE 165 Cb -0.14 -0.69 0.22 0.00 -0.57 0.00 0.00 43.02 41.84 1wbp s PHE 165 CO 0.02 0.15 1.07 -1.21 -0.10 0.00 0.00 175.22 175.14 1wbp s GLU 166 N -3.29 -0.09 0.07 0.44 2.02 -1.26 0.05 118.70 116.63 1wbp s GLU 166 Ca 0.14 0.91 -0.26 0.00 0.02 0.00 0.00 54.97 55.78 1wbp s GLU 166 Cb -0.01 -1.65 -0.06 0.00 0.10 0.00 0.00 34.13 32.52 1wbp s GLU 166 CO 0.02 -3.19 0.82 0.08 0.02 0.00 0.00 175.26 173.02 1wbp s VAL 167 N -2.64 4.65 0.30 2.63 1.01 -1.26 -4.30 120.40 120.80 1wbp s VAL 167 Ca 0.67 1.76 0.10 0.00 0.00 0.00 0.00 61.98 64.51 1wbp s VAL 167 Cb -0.23 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 31.92 1wbp s VAL 167 CO 0.61 0.36 -0.13 -0.76 0.00 0.00 0.00 175.10 175.18 1wbp s LEU 168 N -0.08 2.63 0.00 3.92 1.43 -1.26 -4.47 118.68 120.85 1wbp s LEU 168 Ca 0.41 -1.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1wbp s LEU 168 Cb -0.21 -0.96 0.00 0.00 0.03 0.00 0.00 46.19 45.05 1wbp s LEU 168 CO 0.25 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.31 1wbp n GLY 169 N -0.67 0.77 3.85 -3.19 0.00 0.92 -4.84 105.19 102.04 1wbp n GLY 169 Ca -0.05 -1.86 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 1wbp n GLY 169 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wbp s HIS 170 N 1.14 3.09 0.59 1.61 3.76 -1.26 -4.50 115.29 119.73 1wbp s HIS 170 Ca 0.00 1.05 -0.06 0.00 -0.15 0.00 0.00 55.06 55.90 1wbp s HIS 170 Cb 0.00 -3.14 0.01 0.00 1.11 0.00 0.00 32.58 30.56 1wbp s HIS 170 CO 0.00 -1.48 0.90 -3.38 -0.85 0.00 0.00 174.74 169.93 1wbp s HIS 171 N -3.31 3.25 0.43 1.40 -3.43 -1.26 -1.44 115.29 110.92 1wbp s HIS 171 Ca 0.60 0.63 0.19 0.00 -0.80 0.00 0.00 55.06 55.68 1wbp s HIS 171 Cb -0.12 -2.74 1.15 0.00 -1.43 0.00 0.00 32.58 29.44 1wbp s HIS 171 CO 0.52 -0.83 2.01 -0.07 -2.00 0.00 0.00 174.74 174.37 1wbp h LEU 172 N -0.18 0.00 -0.94 5.38 3.38 -1.09 -2.87 115.31 119.01 1wbp h LEU 172 Ca -0.45 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.54 1wbp h LEU 172 Cb 1.26 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.96 1wbp h LEU 172 CO 0.61 0.18 0.62 0.25 0.09 0.00 0.00 178.44 180.18 1wbp h LEU 173 N 0.00 1.05 -0.67 1.67 5.85 -1.86 -0.70 115.31 120.66 1wbp h LEU 173 Ca -0.00 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.76 1wbp h LEU 173 Cb 0.36 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 1wbp h LEU 173 CO 0.02 0.74 0.36 0.50 -0.34 0.00 0.00 178.44 179.72 1wbp h LYS 174 N 1.23 0.65 -0.12 1.25 3.64 -1.86 0.26 116.57 121.62 1wbp h LYS 174 Ca 0.36 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.54 1wbp h LYS 174 Cb -0.07 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 1wbp h LYS 174 CO -0.10 0.43 -0.62 -1.49 -2.27 0.00 0.00 179.45 175.40 1wbp h TRP 175 N 0.67 0.54 -0.49 1.91 4.06 -1.44 0.14 115.95 121.34 1wbp h TRP 175 Ca 0.30 -0.21 -0.04 0.00 2.06 0.00 0.00 58.89 61.01 1wbp h TRP 175 Cb 0.21 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 28.25 1wbp h TRP 175 CO -0.08 0.93 0.16 0.82 -3.56 0.00 0.00 178.44 176.71 1wbp h ILE 176 N 0.31 1.22 -0.15 1.49 2.04 -0.67 0.45 117.51 122.20 1wbp h ILE 176 Ca -0.01 -0.73 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 1wbp h ILE 176 Cb 1.16 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1wbp h ILE 176 CO 0.11 0.27 -0.07 0.40 0.00 0.00 0.00 178.15 178.86 1wbp h ILE 177 N 0.66 1.15 0.12 -0.67 2.04 -0.71 -1.03 117.51 119.06 1wbp h ILE 177 Ca 0.16 -0.62 -0.27 0.00 1.00 0.00 0.00 64.86 65.13 1wbp h ILE 177 Cb 0.25 1.11 0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1wbp h ILE 177 CO -0.01 0.20 -1.13 0.50 0.00 0.00 0.00 178.15 177.71 1wbp h LYS 178 N 0.22 0.55 0.00 2.37 1.63 0.20 -2.95 116.57 118.60 1wbp h LYS 178 Ca 0.05 -0.75 0.00 0.00 -0.85 0.00 0.00 60.65 59.10 1wbp h LYS 178 Cb 0.28 0.25 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 1wbp h LYS 178 CO 0.01 1.34 0.00 -1.13 -3.45 0.00 0.00 179.45 176.22 1wbp n SER 179 N -3.89 0.00 -1.62 4.20 3.41 0.15 -4.75 113.62 111.13 1wbp n SER 179 Ca -0.14 -0.23 -0.12 0.00 -0.26 0.00 0.00 58.87 58.12 1wbp n SER 179 Cb 0.94 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.90 1wbp n SER 179 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1wbp n ASN 180 N -0.97 -3.97 -0.84 4.04 5.15 -1.11 -2.84 115.26 114.72 1wbp n ASN 180 Ca 0.05 -0.10 -0.10 0.00 -0.60 0.00 0.00 54.58 53.83 1wbp n ASN 180 Cb 0.02 -2.98 -0.03 0.00 -0.53 0.00 0.00 39.78 36.26 1wbp n ASN 180 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1wbp n TYR 181 N -3.97 -0.13 -0.00 1.20 4.01 -0.41 -4.89 117.16 112.97 1wbp n TYR 181 Ca -0.09 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.58 1wbp n TYR 181 Cb 0.58 -2.01 -0.13 0.00 -0.31 0.00 0.00 39.34 37.48 1wbp n TYR 181 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1wbp h GLN 182 N 0.00 0.00 0.00 -0.72 1.08 -1.75 -3.38 115.11 110.34 1wbp h GLN 182 Ca -0.20 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.00 1wbp h GLN 182 Cb 0.78 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.21 1wbp h GLN 182 CO 0.28 0.53 0.00 0.41 -0.95 0.00 0.00 178.83 179.10 1wbp n GLY 183 N 1.50 2.35 3.87 3.46 0.00 -1.26 -3.81 105.19 111.30 1wbp n GLY 183 Ca -0.13 -1.80 -0.31 0.00 0.00 0.00 0.00 46.02 43.78 1wbp n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wbp s LEU 184 N 0.00 3.10 0.27 0.99 1.43 0.21 -4.90 118.68 119.78 1wbp s LEU 184 Ca 0.00 1.34 -0.31 0.00 -1.03 0.00 0.00 54.13 54.14 1wbp s LEU 184 Cb 0.00 -4.29 -0.12 0.00 0.03 0.00 0.00 46.19 41.81 1wbp s LEU 184 CO 0.00 -1.09 1.55 -2.65 0.23 0.00 0.00 176.35 174.39 1wbp n PRO 185 N -2.88 2.50 -0.30 1.29 -0.02 -1.26 -4.61 135.00 129.73 1wbp n PRO 185 Ca 0.06 0.89 0.09 0.00 -2.02 0.00 0.00 63.50 62.52 1wbp n PRO 185 Cb 0.55 -2.64 0.25 0.00 -0.02 0.00 0.00 33.50 31.63 1wbp n PRO 185 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1wbp h LEU 186 N 4.77 0.47 -1.68 2.45 5.85 -1.94 1.00 115.31 126.23 1wbp h LEU 186 Ca -0.46 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1wbp h LEU 186 Cb 1.24 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1wbp h LEU 186 CO 0.79 0.16 0.00 1.55 -0.34 0.00 0.00 178.44 180.60 1wbp h PRO 187 N 0.56 0.00 0.08 5.25 0.13 -1.91 -2.27 132.00 133.83 1wbp h PRO 187 Ca 0.49 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 65.38 1wbp h PRO 187 Cb 0.77 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 1wbp h PRO 187 CO -0.41 0.00 -1.23 0.00 -0.23 0.00 0.00 178.00 176.13 1wbp h VAL 189 N -0.50 0.85 -0.54 0.00 2.07 -0.96 -1.02 116.25 116.14 1wbp h VAL 189 Ca -0.28 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.03 1wbp h VAL 189 Cb 1.60 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 1wbp h VAL 189 CO 0.00 0.14 0.28 0.11 0.02 0.00 0.00 177.57 178.13 1wbp h LYS 190 N 0.76 0.53 -0.22 1.57 1.57 -1.55 -0.58 116.57 118.65 1wbp h LYS 190 Ca 0.43 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 59.11 1wbp h LYS 190 Cb 0.47 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 1wbp h LYS 190 CO -0.29 0.35 -0.14 0.87 -0.57 0.00 0.00 179.45 179.68 1wbp h LYS 191 N 0.55 0.48 0.52 3.15 1.79 -1.43 0.21 116.57 121.84 1wbp h LYS 191 Ca 0.24 -0.22 -0.02 0.00 -2.18 0.00 0.00 60.65 58.47 1wbp h LYS 191 Cb 0.14 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 1wbp h LYS 191 CO -0.16 0.78 -0.39 0.82 -1.08 0.00 0.00 179.45 179.42 1wbp h ILE 192 N 0.18 0.21 -0.98 1.86 2.04 -1.02 -1.63 117.51 118.17 1wbp h ILE 192 Ca 0.04 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.99 1wbp h ILE 192 Cb 0.65 0.21 -0.07 0.00 -0.74 0.00 0.00 36.82 36.87 1wbp h ILE 192 CO 0.04 0.00 0.62 0.40 0.00 0.00 0.00 178.15 179.21 1wbp h ILE 193 N -0.89 1.01 -0.60 -0.67 1.08 -1.13 -0.01 117.51 116.32 1wbp h ILE 193 Ca -0.06 -0.37 0.08 0.00 -0.39 0.00 0.00 64.86 64.13 1wbp h ILE 193 Cb 0.75 -0.15 -0.07 0.00 -3.07 0.00 0.00 36.82 34.28 1wbp h ILE 193 CO 0.01 0.20 0.25 -0.61 -0.69 0.00 0.00 178.15 177.31 1wbp h GLN 194 N 1.07 0.44 -0.13 2.37 4.15 -0.47 -0.59 115.11 121.95 1wbp h GLN 194 Ca 0.45 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.81 1wbp h GLN 194 Cb 0.29 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.88 1wbp h GLN 194 CO -0.21 0.29 -0.05 1.96 -1.93 0.00 0.00 178.83 178.89 1wbp h GLN 195 N 0.45 0.25 -0.99 1.69 4.20 -0.28 -2.20 115.11 118.23 1wbp h GLN 195 Ca 0.29 -0.10 0.17 0.00 0.06 0.00 0.00 58.65 59.07 1wbp h GLN 195 Cb 0.32 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 27.99 1wbp h GLN 195 CO -0.27 0.57 0.61 0.28 -0.67 0.00 0.00 178.83 179.36 1wbp h VAL 196 N -0.08 0.77 0.00 -0.54 2.07 -0.55 0.26 116.25 118.18 1wbp h VAL 196 Ca 0.03 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 1wbp h VAL 196 Cb 0.49 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1wbp h VAL 196 CO 0.02 0.14 -0.26 -0.07 0.02 0.00 0.00 177.57 177.42 1wbp h LEU 197 N 0.78 0.00 -0.44 2.57 4.07 -0.98 -1.09 115.31 120.23 1wbp h LEU 197 Ca 0.54 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 58.32 1wbp h LEU 197 Cb 0.82 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.55 1wbp h LEU 197 CO -0.32 0.26 -0.63 1.56 -1.08 0.00 0.00 178.44 178.23 1wbp h GLN 198 N 0.00 0.55 -0.17 1.13 4.20 0.11 -0.48 115.11 120.45 1wbp h GLN 198 Ca -0.00 -0.39 -0.17 0.00 0.06 0.00 0.00 58.65 58.15 1wbp h GLN 198 Cb 0.93 0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.78 1wbp h GLN 198 CO 0.03 1.00 -0.56 0.78 -0.67 0.00 0.00 178.83 179.42 1wbp h GLY 199 N 1.05 0.75 1.40 3.46 0.00 -0.97 -2.26 103.07 106.50 1wbp h GLY 199 Ca -0.01 -0.98 -0.08 0.00 0.00 0.00 0.00 47.33 46.26 1wbp h GLY 199 CO 0.12 0.87 -0.06 1.41 0.00 0.00 0.00 176.54 178.88 1wbp h LEU 200 N 0.37 0.70 -0.08 3.11 3.38 -1.16 0.47 115.31 122.10 1wbp h LEU 200 Ca -0.02 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1wbp h LEU 200 Cb 1.18 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1wbp h LEU 200 CO 0.12 0.81 0.04 -0.78 0.09 0.00 0.00 178.44 178.72 1wbp h ASP 201 N 0.67 0.10 -0.83 -0.43 3.58 -1.03 0.43 116.42 118.90 1wbp h ASP 201 Ca 0.12 -0.09 0.04 0.00 0.42 0.00 0.00 57.03 57.52 1wbp h ASP 201 Cb 0.51 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.48 1wbp h ASP 201 CO 0.03 0.16 0.53 0.22 -2.88 0.00 0.00 179.24 177.30 1wbp h TYR 202 N 0.04 0.99 0.42 0.28 5.03 -0.93 0.38 116.97 123.16 1wbp h TYR 202 Ca 0.03 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.34 1wbp h TYR 202 Cb 0.08 -0.32 0.00 0.00 1.55 0.00 0.00 36.73 38.04 1wbp h TYR 202 CO -0.04 0.55 -0.20 -0.07 -1.32 0.00 0.00 178.16 177.08 1wbp h LEU 203 N 1.01 -0.47 -0.86 2.82 3.38 -0.52 -1.79 115.31 118.87 1wbp h LEU 203 Ca 0.34 0.02 0.22 0.00 0.09 0.00 0.00 57.88 58.55 1wbp h LEU 203 Cb 0.05 0.12 -0.15 0.00 0.09 0.00 0.00 40.66 40.78 1wbp h LEU 203 CO -0.13 -0.19 0.10 0.45 0.09 0.00 0.00 178.44 178.75 1wbp h HIS 204 N -0.86 0.10 0.00 1.13 3.86 -0.07 0.23 115.15 119.54 1wbp h HIS 204 Ca -0.06 0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1wbp h HIS 204 Cb 0.43 0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1wbp h HIS 204 CO 0.04 -0.28 0.00 2.41 0.86 0.00 0.00 177.93 180.96 1wbp n THR 205 N -5.34 0.00 0.29 2.45 -1.04 0.13 -3.62 114.28 107.15 1wbp n THR 205 Ca 0.19 0.32 0.18 0.00 -2.04 0.00 0.00 64.05 62.70 1wbp n THR 205 Cb 0.63 -1.05 0.79 0.00 -1.82 0.00 0.00 70.33 68.87 1wbp n THR 205 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1wbp h LYS 206 N 0.00 0.00 0.00 -2.82 1.79 -1.44 -3.31 116.57 110.79 1wbp h LYS 206 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1wbp h LYS 206 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1wbp h LYS 206 CO 0.00 0.01 -1.03 0.00 -1.08 0.00 0.00 179.45 177.35 1wbp n ARG 208 N -1.57 -5.22 -5.18 0.00 5.12 0.64 -4.90 116.66 105.55 1wbp n ARG 208 Ca -0.01 0.63 -0.29 0.00 -1.93 0.00 0.00 57.85 56.26 1wbp n ARG 208 Cb 0.15 -5.30 -0.16 0.00 -1.16 0.00 0.00 32.46 26.00 1wbp n ARG 208 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1wbp s ILE 209 N -3.57 1.86 -0.23 0.55 1.01 -1.17 -0.71 121.20 118.94 1wbp s ILE 209 Ca 0.15 -1.01 -0.05 0.00 0.00 0.00 0.00 60.65 59.75 1wbp s ILE 209 Cb -0.07 -1.55 -0.01 0.00 0.01 0.00 0.00 42.46 40.84 1wbp s ILE 209 CO 0.81 0.53 -0.02 -0.63 0.00 0.00 0.00 174.94 175.63 1wbp s ILE 210 N -0.52 3.55 0.36 2.92 1.01 0.07 -3.74 121.20 124.85 1wbp s ILE 210 Ca 0.08 -0.47 0.07 0.00 0.00 0.00 0.00 60.65 60.33 1wbp s ILE 210 Cb -0.09 -2.64 0.15 0.00 0.01 0.00 0.00 42.46 39.89 1wbp s ILE 210 CO -0.01 0.38 1.89 -0.74 0.00 0.00 0.00 174.94 176.46 1wbp h HIS 211 N 8.14 0.41 0.00 3.97 -0.00 -1.93 -0.72 115.15 125.02 1wbp h HIS 211 Ca -0.40 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 59.92 1wbp h HIS 211 Cb 1.16 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 28.45 1wbp h HIS 211 CO 0.60 0.47 0.00 0.25 -0.00 0.00 0.00 177.93 179.25 1wbp n THR 212 N -4.27 0.00 -2.91 6.26 -2.24 -1.26 -3.21 114.28 106.64 1wbp n THR 212 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1wbp n THR 212 Cb 0.26 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 1wbp n THR 212 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1wbp n ASP 213 N 0.00 -2.02 -4.71 3.42 -0.08 -1.26 -0.97 116.55 110.93 1wbp n ASP 213 Ca 0.00 -3.02 -0.38 0.00 -1.51 0.00 0.00 54.79 49.88 1wbp n ASP 213 Cb 0.00 1.01 -0.07 0.00 2.34 0.00 0.00 41.12 44.40 1wbp n ASP 213 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1wbp s ILE 214 N 0.19 5.22 0.22 5.18 -1.09 -1.26 -4.86 121.20 124.79 1wbp s ILE 214 Ca 0.33 0.79 -0.23 0.00 -2.23 0.00 0.00 60.65 59.30 1wbp s ILE 214 Cb 0.17 -3.75 0.04 0.00 -1.58 0.00 0.00 42.46 37.34 1wbp s ILE 214 CO -0.18 0.32 0.80 -1.59 -1.23 0.00 0.00 174.94 173.06 1wbp s LYS 215 N 0.79 1.51 0.21 2.79 -2.85 -1.26 -4.67 119.74 116.26 1wbp s LYS 215 Ca 0.22 -0.81 -0.09 0.00 -1.00 0.00 0.00 55.97 54.29 1wbp s LYS 215 Cb -0.14 0.53 0.31 0.00 -2.06 0.00 0.00 37.83 36.46 1wbp s LYS 215 CO 0.08 -0.69 1.72 -1.35 0.10 0.00 0.00 175.35 175.21 1wbp h PRO 216 N 2.00 0.32 -0.51 1.78 0.11 -1.94 -1.38 132.00 132.39 1wbp h PRO 216 Ca -0.22 -0.02 0.15 0.00 0.11 0.00 0.00 66.00 66.02 1wbp h PRO 216 Cb 1.25 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1wbp h PRO 216 CO 0.25 0.21 0.36 1.49 -0.21 0.00 0.00 178.00 180.11 1wbp h GLU 217 N 0.33 0.01 -0.74 1.05 4.81 -1.93 -1.91 114.58 116.19 1wbp h GLU 217 Ca 0.32 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1wbp h GLU 217 Cb 0.46 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1wbp h GLU 217 CO -0.37 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.01 1wbp n ASN 218 N -4.39 4.05 -4.47 1.04 3.02 -0.53 -4.77 115.26 109.21 1wbp n ASN 218 Ca 0.09 -2.03 -0.34 0.00 -0.03 0.00 0.00 54.58 52.27 1wbp n ASN 218 Cb 0.58 -0.50 -0.12 0.00 -0.61 0.00 0.00 39.78 39.12 1wbp n ASN 218 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wbp s ILE 219 N -1.06 3.97 -0.05 2.41 -1.09 -0.75 -1.24 121.20 123.39 1wbp s ILE 219 Ca 0.50 -0.32 0.04 0.00 -2.23 0.00 0.00 60.65 58.65 1wbp s ILE 219 Cb 0.26 -2.78 -0.02 0.00 -1.58 0.00 0.00 42.46 38.35 1wbp s ILE 219 CO 0.33 0.45 -0.17 -0.76 -1.23 0.00 0.00 174.94 173.56 1wbp s LEU 220 N 0.76 2.56 0.18 2.97 1.43 -0.11 -2.07 118.68 124.40 1wbp s LEU 220 Ca -0.00 -0.28 -0.26 0.00 -1.03 0.00 0.00 54.13 52.55 1wbp s LEU 220 Cb -0.14 -1.51 -0.08 0.00 0.03 0.00 0.00 46.19 44.49 1wbp s LEU 220 CO 0.02 0.32 0.81 -0.76 0.23 0.00 0.00 176.35 176.97 1wbp s LEU 221 N -0.57 4.61 0.36 1.79 1.43 -0.52 -0.50 118.68 125.28 1wbp s LEU 221 Ca 0.08 1.71 -0.09 0.00 -1.03 0.00 0.00 54.13 54.80 1wbp s LEU 221 Cb -0.11 -3.36 -0.06 0.00 0.03 0.00 0.00 46.19 42.69 1wbp s LEU 221 CO 0.01 0.20 0.69 -0.94 0.23 0.00 0.00 176.35 176.54 1wbp s SER 222 N -1.14 6.49 0.31 2.29 1.04 0.14 -0.05 113.70 122.78 1wbp s SER 222 Ca 0.37 0.99 0.09 0.00 0.48 0.00 0.00 55.95 57.87 1wbp s SER 222 Cb -0.24 -2.26 -0.05 0.00 0.10 0.00 0.00 66.02 63.58 1wbp s SER 222 CO 0.27 -0.33 0.04 0.68 0.98 0.00 0.00 173.24 174.89 1wbp s VAL 223 N -2.27 3.02 0.37 5.02 -7.23 -1.26 -4.68 120.40 113.36 1wbp s VAL 223 Ca 0.49 -1.87 -0.03 0.00 -1.81 0.00 0.00 61.98 58.75 1wbp s VAL 223 Cb -0.10 -2.86 -0.04 0.00 0.56 0.00 0.00 36.38 33.94 1wbp s VAL 223 CO 0.31 -0.26 0.62 0.54 -0.31 0.00 0.00 175.10 176.00 1wbp s ASN 224 N -3.74 6.34 0.43 4.85 2.20 -1.26 -4.99 114.94 118.77 1wbp s ASN 224 Ca 0.34 0.68 0.10 0.00 -0.94 0.00 0.00 52.86 53.04 1wbp s ASN 224 Cb -0.03 -2.13 0.93 0.00 -2.00 0.00 0.00 41.25 38.02 1wbp s ASN 224 CO 0.20 -0.34 2.04 -0.33 -2.94 0.00 0.00 177.10 175.73 1wbp h GLU 225 N 0.91 0.34 -0.67 3.55 5.08 -1.99 -1.94 114.58 119.87 1wbp h GLU 225 Ca -0.48 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 57.88 1wbp h GLU 225 Cb 1.21 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 1wbp h GLU 225 CO 0.63 0.28 0.44 0.37 -1.00 0.00 0.00 179.01 179.73 1wbp h GLN 226 N 0.35 0.76 0.07 2.33 4.15 -1.95 0.90 115.11 121.73 1wbp h GLN 226 Ca 0.09 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 1wbp h GLN 226 Cb 0.06 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.58 1wbp h GLN 226 CO -0.01 0.51 -0.03 -0.92 -1.93 0.00 0.00 178.83 176.44 1wbp h TYR 227 N 0.79 -0.09 0.37 3.99 3.20 -1.58 -1.43 116.97 122.22 1wbp h TYR 227 Ca 0.27 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 1wbp h TYR 227 Cb 0.08 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 1wbp h TYR 227 CO -0.00 0.27 -0.48 0.82 -1.64 0.00 0.00 178.16 177.12 1wbp h ILE 228 N -0.46 0.00 0.05 1.81 2.04 -1.14 0.15 117.51 119.97 1wbp h ILE 228 Ca -0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.88 1wbp h ILE 228 Cb 0.40 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.43 1wbp h ILE 228 CO 0.02 0.00 -0.32 0.03 0.00 0.00 0.00 178.15 177.88 1wbp h ARG 229 N -0.89 -0.48 0.00 2.37 3.08 -0.93 0.13 114.38 117.66 1wbp h ARG 229 Ca -0.04 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1wbp h ARG 229 Cb 0.80 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.95 1wbp h ARG 229 CO -0.12 -0.32 0.00 -2.13 -1.07 0.00 0.00 179.97 176.33 1wbp n ARG 230 N -5.41 0.09 -0.07 0.04 0.00 -0.54 -0.41 116.66 110.35 1wbp n ARG 230 Ca -0.06 0.24 -0.06 0.00 -0.00 0.00 0.00 57.85 57.98 1wbp n ARG 230 Cb 0.33 -1.50 -0.02 0.00 0.00 0.00 0.00 32.46 31.26 1wbp n ARG 230 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1wbp h LEU 231 N 0.00 0.00 -1.07 6.15 6.46 0.18 -3.36 115.31 123.67 1wbp h LEU 231 Ca 0.00 -0.06 -0.05 0.00 -0.12 0.00 0.00 57.88 57.66 1wbp h LEU 231 Cb 0.10 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.00 1wbp h LEU 231 CO 0.00 0.80 0.15 0.00 -0.62 0.00 0.00 178.44 178.77 1wbp h ALA 232 N -0.94 1.25 0.00 1.25 0.00 -0.79 -1.85 119.26 118.18 1wbp h ALA 232 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1wbp h ALA 232 Cb 0.54 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1wbp h ALA 232 CO -0.02 0.52 0.02 0.00 0.00 0.00 0.00 179.25 179.77 1wbp n ALA 233 N -2.46 1.02 -0.00 0.00 0.00 0.45 -0.92 120.51 118.59 1wbp n ALA 233 Ca 0.04 0.19 -0.03 0.00 0.00 0.00 0.00 53.44 53.63 1wbp n ALA 233 Cb 0.21 -1.27 -0.11 0.00 0.00 0.00 0.00 19.45 18.28 1wbp n ALA 233 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wbp n GLU 234 N -2.21 0.63 0.18 0.00 1.02 -0.70 -4.31 120.64 115.25 1wbp n GLU 234 Ca -0.01 0.20 -0.15 0.00 -0.02 0.00 0.00 57.16 57.18 1wbp n GLU 234 Cb 0.05 -1.76 -0.07 0.00 -0.02 0.00 0.00 31.44 29.64 1wbp n GLU 234 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wbp h ALA 235 N 1.27 -0.69 -0.00 0.62 0.00 -1.05 -3.45 119.26 115.95 1wbp h ALA 235 Ca -0.24 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1wbp h ALA 235 Cb 1.77 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 20.09 1wbp h ALA 235 CO 0.05 -0.94 0.00 0.25 0.00 0.00 0.00 179.25 178.62 1wbp n THR 236 N -5.45 0.00 0.00 0.00 -2.24 -1.23 -5.13 114.28 100.22 1wbp n THR 236 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1wbp n THR 236 Cb 0.35 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1wbp n THR 236 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wbp n GLU 237 N 0.01 0.00 0.00 -0.78 1.02 -1.26 -5.14 120.64 114.49 1wbp n GLU 237 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1wbp n GLU 237 Cb -0.00 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.34 1wbp n GLU 237 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1wbp n ASN 477 N 0.00 0.00 -3.14 1.62 3.02 -1.26 -5.26 115.26 110.24 1wbp n ASN 477 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.35 1wbp n ASN 477 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 1wbp n ASN 477 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1wbp n PHE 478 N 0.00 -0.49 -2.50 3.10 0.99 -1.26 -5.10 117.46 112.19 1wbp n PHE 478 Ca 0.00 -3.46 0.00 0.00 -0.00 0.00 0.00 57.45 53.99 1wbp n PHE 478 Cb 0.00 -0.14 0.00 0.00 -1.00 0.00 0.00 39.48 38.34 1wbp n PHE 478 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1wbp n LEU 479 N 0.92 0.00 -4.24 4.37 4.32 -1.26 -4.50 117.00 116.61 1wbp n LEU 479 Ca 0.21 0.00 -0.36 0.00 -0.02 0.00 0.00 56.01 55.84 1wbp n LEU 479 Cb 0.60 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.27 1wbp n LEU 479 CO 0.17 0.00 -0.32 -0.69 -1.22 0.00 0.00 177.39 175.33 1wbp s VAL 480 N 1.34 3.36 -0.11 4.08 1.01 -1.26 -5.09 120.40 123.73 1wbp s VAL 480 Ca 0.00 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 60.57 1wbp s VAL 480 Cb 0.00 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 1wbp s VAL 480 CO 0.00 -0.03 1.07 0.21 0.00 0.00 0.00 175.10 176.35 1wbp s ASN 481 N 1.35 7.17 0.33 3.32 3.84 -1.26 -4.95 114.94 124.74 1wbp s ASN 481 Ca -0.02 1.60 0.25 0.00 0.21 0.00 0.00 52.86 54.90 1wbp s ASN 481 Cb -0.19 -2.55 0.66 0.00 -0.55 0.00 0.00 41.25 38.62 1wbp s ASN 481 CO -0.00 -0.52 1.72 1.55 -2.79 0.00 0.00 177.10 177.06 1wbp h PRO 482 N 7.26 0.00 -0.26 0.43 0.13 -1.98 -3.25 132.00 134.33 1wbp h PRO 482 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1wbp h PRO 482 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1wbp h PRO 482 CO 0.88 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.93 1wbp n LEU 483 N -2.65 0.41 -4.11 1.56 4.77 -1.26 -4.49 117.00 111.24 1wbp n LEU 483 Ca 0.04 -0.21 -0.33 0.00 -0.03 0.00 0.00 56.01 55.49 1wbp n LEU 483 Cb 0.45 -0.14 -0.15 0.00 -2.33 0.00 0.00 43.42 41.25 1wbp n LEU 483 CO 0.31 0.10 -0.48 -0.70 -1.33 0.00 0.00 177.39 175.28 1wbp s GLU 484 N -1.75 2.61 0.00 3.23 2.56 -1.23 -4.78 118.70 119.35 1wbp s GLU 484 Ca 0.02 -1.10 0.00 0.00 0.00 0.00 0.00 54.97 53.90 1wbp s GLU 484 Cb 0.01 -2.77 0.00 0.00 2.00 0.00 0.00 34.13 33.37 1wbp s GLU 484 CO 0.01 -0.41 0.81 -0.35 -0.56 0.00 0.00 175.26 174.76 1wbp n PRO 485 N 4.54 0.00 0.07 4.30 -0.04 -1.26 -1.61 135.00 140.99 1wbp n PRO 485 Ca -0.17 0.33 0.11 0.00 -0.04 0.00 0.00 63.50 63.73 1wbp n PRO 485 Cb 0.46 -1.57 -0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1wbp n PRO 485 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1wbp n LYS 486 N -1.31 0.51 0.00 0.54 5.02 -1.26 -3.71 118.16 117.95 1wbp n LYS 486 Ca 0.00 0.04 0.14 0.00 -2.02 0.00 0.00 58.31 56.47 1wbp n LYS 486 Cb 0.07 -1.72 0.51 0.00 -0.02 0.00 0.00 35.03 33.88 1wbp n LYS 486 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1wbp n ASN 487 N -2.40 0.46 -0.33 4.39 4.13 -0.63 -4.31 115.26 116.56 1wbp n ASN 487 Ca 0.00 -0.36 0.06 0.00 1.68 0.00 0.00 54.58 55.97 1wbp n ASN 487 Cb 0.52 -0.06 0.15 0.00 -1.54 0.00 0.00 39.78 38.85 1wbp n ASN 487 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wbp h ALA 488 N 3.39 0.71 0.00 5.41 0.00 -1.67 0.62 119.26 127.71 1wbp h ALA 488 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1wbp h ALA 488 Cb 0.43 0.68 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1wbp h ALA 488 CO 0.00 -0.42 0.00 1.49 0.00 0.00 0.00 179.25 180.32 1wbp h GLU 489 N 0.01 0.00 0.00 0.00 4.57 -1.88 -3.23 114.58 114.05 1wbp h GLU 489 Ca 0.47 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.65 1wbp h GLU 489 Cb 0.77 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.36 1wbp h GLU 489 CO -0.95 0.00 -0.02 0.87 -1.18 0.00 0.00 179.01 177.73 1wbp h LYS 490 N 0.00 0.00 -3.30 1.92 1.57 -0.16 -3.47 116.57 113.13 1wbp h LYS 490 Ca 0.00 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.39 1wbp h LYS 490 Cb 0.66 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.02 1wbp h LYS 490 CO 0.00 0.71 -0.17 1.28 -0.57 0.00 0.00 179.45 180.70 1wbp n LEU 491 N -4.66 -0.43 -3.70 2.94 4.32 0.14 -5.00 117.00 110.61 1wbp n LEU 491 Ca -0.07 0.63 -0.12 0.00 -0.02 0.00 0.00 56.01 56.43 1wbp n LEU 491 Cb 0.34 -0.52 -0.12 0.00 -1.62 0.00 0.00 43.42 41.51 1wbp n LEU 491 CO 0.24 -1.42 -0.06 -0.54 -1.22 0.00 0.00 177.39 174.38 1wbp s LYS 492 N -0.35 0.26 0.27 3.23 1.02 -1.26 -4.98 119.74 117.94 1wbp s LYS 492 Ca 0.41 0.68 0.05 0.00 0.02 0.00 0.00 55.97 57.13 1wbp s LYS 492 Cb -0.58 -0.04 -0.06 0.00 -0.52 0.00 0.00 37.83 36.63 1wbp s LYS 492 CO 0.31 -0.19 -0.01 0.14 -0.92 0.00 0.00 175.35 174.68 1wbp s VAL 493 N 1.60 1.30 0.04 3.17 -7.23 -1.26 -0.69 120.40 117.33 1wbp s VAL 493 Ca -0.07 -2.06 0.01 0.00 -1.81 0.00 0.00 61.98 58.05 1wbp s VAL 493 Cb -0.10 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 1wbp s VAL 493 CO -0.10 -0.25 -0.05 -0.54 -0.31 0.00 0.00 175.10 173.85 1wbp s LYS 494 N -3.82 0.44 -0.13 4.82 1.02 0.35 -4.78 119.74 117.65 1wbp s LYS 494 Ca 0.30 -0.78 -0.24 0.00 0.02 0.00 0.00 55.97 55.28 1wbp s LYS 494 Cb 0.06 -0.02 -0.03 0.00 -0.52 0.00 0.00 37.83 37.32 1wbp s LYS 494 CO 0.11 -0.03 0.73 0.42 -0.92 0.00 0.00 175.35 175.67 1wbp s ILE 495 N -1.88 4.98 0.49 2.17 1.01 0.83 -0.93 121.20 127.87 1wbp s ILE 495 Ca -0.10 1.46 0.02 0.00 0.00 0.00 0.00 60.65 62.03 1wbp s ILE 495 Cb -0.07 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.32 1wbp s ILE 495 CO -0.02 0.14 0.01 0.00 0.00 0.00 0.00 174.94 175.07 1wbp s ALA 496 N 1.51 3.90 -0.66 9.38 0.00 -0.37 -1.57 121.76 133.95 1wbp s ALA 496 Ca 0.36 -0.71 -0.07 0.00 0.00 0.00 0.00 51.96 51.54 1wbp s ALA 496 Cb -0.17 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.06 1wbp s ALA 496 CO 0.15 -0.06 0.66 -0.25 0.00 0.00 0.00 175.76 176.26 1wbp n ASP 497 N -1.22 -7.23 -1.81 0.00 9.92 -1.26 -4.83 116.55 110.12 1wbp n ASP 497 Ca -0.16 -0.07 -0.14 0.00 -0.53 0.00 0.00 54.79 53.89 1wbp n ASP 497 Cb 0.67 -4.52 0.14 0.00 -0.64 0.00 0.00 41.12 36.77 1wbp n ASP 497 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1wbp n LEU 498 N -1.44 5.44 -0.30 0.64 4.32 -1.26 -4.35 117.00 120.06 1wbp n LEU 498 Ca -0.03 -2.87 -0.04 0.00 -0.02 0.00 0.00 56.01 53.05 1wbp n LEU 498 Cb 0.53 -0.72 0.07 0.00 -1.62 0.00 0.00 43.42 41.68 1wbp n LEU 498 CO 0.54 0.84 1.18 1.23 -1.22 0.00 0.00 177.39 179.96 1wbp h GLY 499 N 2.19 1.18 -0.87 -0.72 0.00 -1.93 -2.78 103.07 100.14 1wbp h GLY 499 Ca 0.39 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1wbp h GLY 499 CO 0.72 0.47 -0.26 0.70 0.00 0.00 0.00 176.54 178.17 1wbp n ASN 500 N -4.46 1.96 -4.65 0.19 4.13 -1.26 -4.83 115.26 106.34 1wbp n ASN 500 Ca 0.08 -1.49 -0.30 0.00 1.68 0.00 0.00 54.58 54.55 1wbp n ASN 500 Cb 0.05 0.23 0.17 0.00 -1.54 0.00 0.00 39.78 38.70 1wbp n ASN 500 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wbp s ALA 501 N -2.31 1.09 0.17 5.41 0.00 -1.05 -4.76 121.76 120.31 1wbp s ALA 501 Ca 0.25 0.28 -0.03 0.00 0.00 0.00 0.00 51.96 52.46 1wbp s ALA 501 Cb 0.19 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.98 1wbp s ALA 501 CO 0.47 -2.86 0.27 0.00 0.00 0.00 0.00 175.76 173.64 1wbp s TRP 503 N -4.62 3.45 0.07 0.00 0.52 -0.35 -0.75 118.94 117.27 1wbp s TRP 503 Ca 0.12 0.10 -0.23 0.00 0.02 0.00 0.00 56.10 56.11 1wbp s TRP 503 Cb -0.01 -1.65 -0.14 0.00 -1.15 0.00 0.00 33.47 30.52 1wbp s TRP 503 CO 0.08 0.51 1.63 0.28 0.02 0.00 0.00 176.95 179.48 1wbp h VAL 504 N 1.65 1.11 0.00 4.03 2.07 -1.25 -2.81 116.25 121.05 1wbp h VAL 504 Ca -0.49 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1wbp h VAL 504 Cb 1.20 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1wbp h VAL 504 CO 0.68 0.09 0.00 1.41 0.02 0.00 0.00 177.57 179.77 1wbp n HIS 505 N -4.99 0.08 -3.57 1.57 8.25 -1.26 -4.59 115.22 110.72 1wbp n HIS 505 Ca -0.06 0.02 -0.25 0.00 -0.26 0.00 0.00 57.72 57.17 1wbp n HIS 505 Cb 0.09 -0.54 -0.16 0.00 1.12 0.00 0.00 29.99 30.50 1wbp n HIS 505 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1wbp s LYS 506 N -3.01 0.12 0.33 -0.41 2.20 -1.06 -5.15 119.74 112.76 1wbp s LYS 506 Ca 0.13 -0.14 -0.06 0.00 -0.36 0.00 0.00 55.97 55.55 1wbp s LYS 506 Cb 0.18 -1.53 0.08 0.00 -1.51 0.00 0.00 37.83 35.04 1wbp s LYS 506 CO 0.53 -0.76 0.44 0.72 -0.36 0.00 0.00 175.35 175.91 1wbp n HIS 507 N 5.28 -3.98 0.00 4.03 8.25 -1.24 -1.21 115.22 126.35 1wbp n HIS 507 Ca -0.06 -0.39 0.00 0.00 -0.26 0.00 0.00 57.72 57.01 1wbp n HIS 507 Cb 0.47 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 31.24 1wbp n HIS 507 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1wbp n PHE 508 N -2.63 0.00 -3.70 4.41 3.72 -1.26 -4.81 117.46 113.19 1wbp n PHE 508 Ca 0.05 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.42 1wbp n PHE 508 Cb 0.19 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.72 1wbp n PHE 508 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1wbp s THR 509 N -1.04 0.00 -0.71 4.37 -1.32 -1.26 -5.05 115.64 110.63 1wbp s THR 509 Ca 0.00 -0.51 0.08 0.00 -1.21 0.00 0.00 61.69 60.05 1wbp s THR 509 Cb 0.00 -1.85 0.21 0.00 -1.51 0.00 0.00 72.50 69.35 1wbp s THR 509 CO 0.00 0.00 1.15 -1.84 -2.21 0.00 0.00 174.62 171.72 1wbp n GLU 510 N -0.44 2.66 -3.53 7.08 0.28 -1.26 -4.76 120.64 120.67 1wbp n GLU 510 Ca -0.07 -1.82 -0.40 0.00 -0.16 0.00 0.00 57.16 54.72 1wbp n GLU 510 Cb 0.61 -1.19 -0.04 0.00 1.43 0.00 0.00 31.44 32.24 1wbp n GLU 510 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1wbp s ASP 511 N -0.97 6.40 0.47 -1.84 2.15 -1.26 -5.04 116.67 116.58 1wbp s ASP 511 Ca 0.16 -3.53 0.03 0.00 0.43 0.00 0.00 52.55 49.64 1wbp s ASP 511 Cb 0.09 -2.02 -0.04 0.00 -0.30 0.00 0.00 42.92 40.65 1wbp s ASP 511 CO 0.11 -0.26 0.01 0.27 -0.17 0.00 0.00 175.17 175.13 1wbp s ILE 512 N -1.10 1.46 0.35 4.11 -4.36 -1.26 -5.07 121.20 115.32 1wbp s ILE 512 Ca 0.27 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.66 1wbp s ILE 512 Cb -0.09 -2.48 0.00 0.00 1.25 0.00 0.00 42.46 41.14 1wbp s ILE 512 CO -0.10 0.00 0.00 0.00 0.24 0.00 0.00 174.94 175.08 1wbp n GLN 513 N -1.15 -4.02 -2.18 0.37 6.02 -0.14 -4.88 117.38 111.40 1wbp n GLN 513 Ca -0.14 2.93 -0.40 0.00 -0.01 0.00 0.00 57.00 59.38 1wbp n GLN 513 Cb 0.67 -3.25 -0.02 0.00 1.02 0.00 0.00 30.24 28.66 1wbp n GLN 513 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1wbp s THR 514 N -2.28 2.87 0.00 5.09 2.01 -1.26 -4.64 115.64 117.43 1wbp s THR 514 Ca 0.00 0.86 0.00 0.00 0.31 0.00 0.00 61.69 62.86 1wbp s THR 514 Cb 0.00 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 68.97 1wbp s THR 514 CO 0.00 0.19 0.16 -1.14 -0.69 0.00 0.00 174.62 173.14 1wbp n ARG 515 N 0.74 0.00 0.33 4.92 3.00 -1.26 -0.11 116.66 124.28 1wbp n ARG 515 Ca 0.00 0.16 0.10 0.00 -0.00 0.00 0.00 57.85 58.11 1wbp n ARG 515 Cb 0.43 -0.31 0.51 0.00 0.00 0.00 0.00 32.46 33.09 1wbp n ARG 515 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1wbp h GLN 516 N 0.00 0.00 -0.30 -0.14 7.50 -1.92 0.52 115.11 120.77 1wbp h GLN 516 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1wbp h GLN 516 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 1wbp h GLN 516 CO 0.00 0.00 0.00 0.66 -1.50 0.00 0.00 178.83 177.99 1wbp n TYR 517 N -2.74 0.39 -2.38 2.96 4.01 0.84 -4.47 117.16 115.78 1wbp n TYR 517 Ca -0.01 -0.37 -0.42 0.00 -0.16 0.00 0.00 57.90 56.94 1wbp n TYR 517 Cb 0.61 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.59 1wbp n TYR 517 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1wbp s ARG 518 N -1.02 4.44 0.67 -0.72 3.52 0.18 -4.12 118.95 121.90 1wbp s ARG 518 Ca 0.24 1.83 -0.10 0.00 -0.13 0.00 0.00 55.73 57.58 1wbp s ARG 518 Cb 0.13 -3.30 0.02 0.00 -1.56 0.00 0.00 34.95 30.23 1wbp s ARG 518 CO 0.18 -0.22 1.04 -1.54 -0.81 0.00 0.00 175.30 173.94 1wbp s SER 519 N 0.76 5.45 0.19 -2.12 1.04 -1.26 -4.93 113.70 112.83 1wbp s SER 519 Ca 0.57 0.97 -0.07 0.00 0.48 0.00 0.00 55.95 57.91 1wbp s SER 519 Cb -0.31 -1.82 0.10 0.00 0.10 0.00 0.00 66.02 64.09 1wbp s SER 519 CO 0.32 -1.27 1.57 0.25 0.98 0.00 0.00 173.24 175.08 1wbp h LEU 520 N -0.51 0.86 -1.55 2.42 5.85 -1.95 -1.68 115.31 118.74 1wbp h LEU 520 Ca -0.45 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 57.92 1wbp h LEU 520 Cb 1.26 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1wbp h LEU 520 CO 0.63 1.09 0.20 1.05 -0.34 0.00 0.00 178.44 181.06 1wbp h GLU 521 N 0.71 0.50 -0.09 1.25 9.09 -1.89 -1.36 114.58 122.79 1wbp h GLU 521 Ca 0.08 -0.04 -0.22 0.00 0.05 0.00 0.00 59.36 59.23 1wbp h GLU 521 Cb 0.83 -0.11 0.01 0.00 -1.65 0.00 0.00 28.75 27.83 1wbp h GLU 521 CO 0.07 0.37 -0.82 0.28 0.05 0.00 0.00 179.01 178.96 1wbp h VAL 522 N 0.51 1.33 0.25 -1.06 2.07 -1.77 0.21 116.25 117.79 1wbp h VAL 522 Ca 0.13 -2.13 0.01 0.00 0.82 0.00 0.00 66.70 65.53 1wbp h VAL 522 Cb 0.02 2.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 1wbp h VAL 522 CO -0.02 0.66 -0.33 -0.07 0.02 0.00 0.00 177.57 177.82 1wbp h LEU 523 N 0.39 -0.92 -0.41 2.57 3.38 -0.31 -2.58 115.31 117.43 1wbp h LEU 523 Ca -0.06 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1wbp h LEU 523 Cb 1.44 0.33 0.00 0.00 0.09 0.00 0.00 40.66 42.51 1wbp h LEU 523 CO 0.15 -0.45 -0.22 2.30 0.09 0.00 0.00 178.44 180.32 1wbp n ILE 524 N -5.43 0.00 -2.67 1.22 -5.35 -0.95 -4.93 119.36 101.25 1wbp n ILE 524 Ca -0.08 -0.11 -0.05 0.00 -0.27 0.00 0.00 62.75 62.24 1wbp n ILE 524 Cb 0.34 0.26 0.02 0.00 -1.74 0.00 0.00 39.64 38.52 1wbp n ILE 524 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wbp n GLY 525 N 1.33 -0.79 1.31 3.28 0.00 -0.08 -1.31 105.19 108.92 1wbp n GLY 525 Ca 0.13 0.30 0.04 0.00 0.00 0.00 0.00 46.02 46.49 1wbp n GLY 525 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wbp n SER 526 N -2.07 4.21 -0.22 1.61 3.41 0.55 -1.34 113.62 119.77 1wbp n SER 526 Ca -0.02 -3.14 0.00 0.00 -0.26 0.00 0.00 58.87 55.45 1wbp n SER 526 Cb 0.54 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1wbp n SER 526 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wbp n GLY 527 N -0.34 -2.98 3.35 5.00 0.00 -1.26 -4.93 105.19 104.03 1wbp n GLY 527 Ca 0.28 -1.23 -0.18 0.00 0.00 0.00 0.00 46.02 44.88 1wbp n GLY 527 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1wbp s TYR 528 N -4.16 1.65 0.00 1.61 1.13 -1.26 -4.68 117.35 111.63 1wbp s TYR 528 Ca 0.00 -0.88 0.00 0.00 -1.41 0.00 0.00 57.07 54.78 1wbp s TYR 528 Cb 0.00 -0.96 0.00 0.00 -1.10 0.00 0.00 41.96 39.90 1wbp s TYR 528 CO 0.00 0.02 0.00 -1.71 -2.51 0.00 0.00 175.55 171.35 1wbp n ASN 529 N -0.46 0.00 -0.47 -0.18 4.05 -1.26 -5.04 115.26 111.91 1wbp n ASN 529 Ca -0.05 -0.80 0.41 0.00 0.45 0.00 0.00 54.58 54.59 1wbp n ASN 529 Cb 0.64 0.00 0.75 0.00 1.23 0.00 0.00 39.78 42.40 1wbp n ASN 529 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1wbp h THR 530 N 0.80 0.25 0.00 -0.44 1.35 -1.97 0.76 112.91 113.66 1wbp h THR 530 Ca 0.00 -0.01 -0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1wbp h THR 530 Cb 0.00 0.21 -0.00 0.00 -1.73 0.00 0.00 68.15 66.63 1wbp h THR 530 CO 0.00 0.01 -0.01 -0.65 -0.25 0.00 0.00 175.52 174.62 1wbp h PRO 531 N 0.03 0.00 -0.58 4.72 0.11 -1.93 -1.40 132.00 132.96 1wbp h PRO 531 Ca 0.72 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.89 1wbp h PRO 531 Cb 2.77 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 33.84 1wbp h PRO 531 CO -0.07 0.01 0.38 0.00 -0.21 0.00 0.00 178.00 178.11 1wbp h ALA 532 N 1.99 1.80 -0.40 -0.75 0.00 -1.23 -1.64 119.26 119.04 1wbp h ALA 532 Ca -0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1wbp h ALA 532 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1wbp h ALA 532 CO 0.00 0.11 -0.26 -0.44 0.00 0.00 0.00 179.25 178.66 1wbp h ASP 533 N 0.58 0.92 -0.50 0.00 3.32 -1.44 -2.71 116.42 116.59 1wbp h ASP 533 Ca 0.24 -0.43 0.01 0.00 0.02 0.00 0.00 57.03 56.88 1wbp h ASP 533 Cb 0.24 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 1wbp h ASP 533 CO -0.07 1.15 0.32 0.40 -1.72 0.00 0.00 179.24 179.32 1wbp h ILE 534 N 0.70 1.12 -0.92 0.35 1.08 -1.39 0.33 117.51 118.78 1wbp h ILE 534 Ca 0.08 -0.23 0.05 0.00 -0.39 0.00 0.00 64.86 64.38 1wbp h ILE 534 Cb 0.83 0.40 -0.06 0.00 -3.07 0.00 0.00 36.82 34.92 1wbp h ILE 534 CO 0.07 0.12 0.59 -0.25 -0.69 0.00 0.00 178.15 177.99 1wbp h TRP 535 N 0.66 1.10 0.12 1.37 2.91 -1.31 -0.26 115.95 120.55 1wbp h TRP 535 Ca 0.18 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.23 1wbp h TRP 535 Cb -0.07 -0.36 0.00 0.00 -0.51 0.00 0.00 29.16 28.22 1wbp h TRP 535 CO -0.04 0.59 -0.06 0.77 -1.03 0.00 0.00 178.44 178.67 1wbp h SER 536 N 1.10 -0.14 -0.93 2.65 0.02 -0.99 -2.61 113.55 112.66 1wbp h SER 536 Ca 0.39 -0.25 0.19 0.00 -0.84 0.00 0.00 61.79 61.28 1wbp h SER 536 Cb 0.10 0.03 -0.08 0.00 0.14 0.00 0.00 62.40 62.60 1wbp h SER 536 CO -0.15 0.18 0.60 0.74 -1.14 0.00 0.00 176.83 177.06 1wbp h THR 537 N -0.47 0.70 -0.25 -2.27 2.02 0.10 -0.59 112.91 112.16 1wbp h THR 537 Ca -0.02 -0.18 -0.08 0.00 0.77 0.00 0.00 66.41 66.90 1wbp h THR 537 Cb 0.38 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1wbp h THR 537 CO 0.03 0.10 -0.14 0.00 0.37 0.00 0.00 175.52 175.87 1wbp h ALA 538 N 1.61 0.35 -0.30 6.16 0.00 -0.93 0.14 119.26 126.30 1wbp h ALA 538 Ca 0.50 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1wbp h ALA 538 Cb 1.06 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1wbp h ALA 538 CO -0.23 0.24 0.09 0.00 0.00 0.00 0.00 179.25 179.35 1wbp h MET 540 N 0.42 0.15 -0.55 0.00 -1.53 -1.03 -2.47 114.93 109.92 1wbp h MET 540 Ca 0.10 -0.11 0.11 0.00 -3.44 0.00 0.00 59.70 56.36 1wbp h MET 540 Cb 0.13 0.02 -0.09 0.00 -0.55 0.00 0.00 31.60 31.11 1wbp h MET 540 CO -0.01 0.74 0.03 0.00 0.14 0.00 0.00 176.91 177.80 1wbp h ALA 541 N 0.41 0.55 -0.38 0.39 0.00 -0.26 0.34 119.26 120.31 1wbp h ALA 541 Ca -0.00 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1wbp h ALA 541 Cb 0.75 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1wbp h ALA 541 CO 0.03 -0.37 0.23 0.35 0.00 0.00 0.00 179.25 179.48 1wbp h PHE 542 N 0.15 0.43 -0.38 0.00 3.57 -1.07 -2.32 116.94 117.32 1wbp h PHE 542 Ca 0.28 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.74 1wbp h PHE 542 Cb 0.43 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1wbp h PHE 542 CO -0.31 0.25 -0.00 1.49 -2.23 0.00 0.00 178.31 177.51 1wbp h GLU 543 N 0.46 0.59 -0.28 1.11 4.81 -0.68 -0.17 114.58 120.43 1wbp h GLU 543 Ca 0.15 -0.14 -0.13 0.00 -0.13 0.00 0.00 59.36 59.12 1wbp h GLU 543 Cb -0.01 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1wbp h GLU 543 CO -0.06 0.62 -0.36 -0.07 -0.73 0.00 0.00 179.01 178.41 1wbp h LEU 544 N 0.57 0.65 -0.13 1.64 3.38 -0.09 0.66 115.31 121.98 1wbp h LEU 544 Ca 0.12 -0.27 -0.22 0.00 0.09 0.00 0.00 57.88 57.59 1wbp h LEU 544 Cb 0.36 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1wbp h LEU 544 CO 0.01 0.95 -0.99 0.00 0.09 0.00 0.00 178.44 178.50 1wbp h ALA 545 N 1.09 0.37 0.00 1.53 0.00 -1.02 0.59 119.26 121.82 1wbp h ALA 545 Ca 0.05 -0.78 -0.09 0.00 0.00 0.00 0.00 54.91 54.10 1wbp h ALA 545 Cb 0.86 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1wbp h ALA 545 CO 0.07 0.95 -1.71 0.25 0.00 0.00 0.00 179.25 178.81 1wbp n THR 546 N -3.61 0.32 -0.36 0.00 -2.24 -0.11 -4.53 114.28 103.75 1wbp n THR 546 Ca -0.05 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1wbp n THR 546 Cb 0.88 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 1wbp n THR 546 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wbp n GLY 547 N 1.91 1.15 3.64 3.38 0.00 0.23 -4.06 105.19 111.44 1wbp n GLY 547 Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 1wbp n GLY 547 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wbp s ASP 548 N -3.06 4.52 0.36 1.61 1.11 -1.24 -4.72 116.67 115.25 1wbp s ASP 548 Ca 0.00 -0.65 -0.26 0.00 0.18 0.00 0.00 52.55 51.82 1wbp s ASP 548 Cb 0.00 -0.83 -0.09 0.00 1.07 0.00 0.00 42.92 43.07 1wbp s ASP 548 CO 0.00 0.01 1.10 -0.31 1.18 0.00 0.00 175.17 177.14 1wbp s TYR 549 N -2.30 3.31 0.09 4.23 4.12 -1.26 -3.44 117.35 122.11 1wbp s TYR 549 Ca 0.31 1.64 -0.14 0.00 0.02 0.00 0.00 57.07 58.89 1wbp s TYR 549 Cb -0.06 -3.25 -0.11 0.00 -1.52 0.00 0.00 41.96 37.02 1wbp s TYR 549 CO 0.20 -0.79 1.37 1.25 0.02 0.00 0.00 175.55 177.60 1wbp h LEU 550 N 2.95 0.79 -7.56 -1.29 5.85 -1.87 -3.42 115.31 110.76 1wbp h LEU 550 Ca -0.48 -0.53 -0.54 0.00 0.84 0.00 0.00 57.88 57.17 1wbp h LEU 550 Cb 1.22 -0.23 -0.38 0.00 0.37 0.00 0.00 40.66 41.64 1wbp h LEU 550 CO 0.64 1.17 -0.79 -0.36 -0.34 0.00 0.00 178.44 178.77 1wbp s PHE 551 N -4.13 1.54 -0.62 1.25 0.40 -1.26 -5.07 117.98 110.09 1wbp s PHE 551 Ca -0.12 -1.00 0.05 0.00 -0.60 0.00 0.00 56.93 55.26 1wbp s PHE 551 Cb 0.08 -1.24 0.17 0.00 0.51 0.00 0.00 43.02 42.55 1wbp s PHE 551 CO 0.85 -0.60 0.47 -1.91 0.70 0.00 0.00 175.22 174.73 1wbp n GLU 552 N 4.92 1.41 -1.44 0.44 2.13 -1.26 -4.48 120.64 122.35 1wbp n GLU 552 Ca -0.11 -4.13 -0.30 0.00 0.66 0.00 0.00 57.16 53.28 1wbp n GLU 552 Cb 0.48 -2.11 0.10 0.00 0.27 0.00 0.00 31.44 30.18 1wbp n GLU 552 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1wbp s PRO 553 N -1.10 2.05 -0.10 5.31 0.04 -1.26 -5.08 135.00 134.86 1wbp s PRO 553 Ca 0.28 0.79 -0.10 0.00 0.04 0.00 0.00 61.00 62.01 1wbp s PRO 553 Cb -0.01 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.66 1wbp s PRO 553 CO -0.17 -1.68 0.27 -1.01 0.04 0.00 0.00 177.00 174.45 1wbp s HIS 554 N -3.06 -0.29 1.07 0.56 3.76 -1.26 -5.02 115.29 111.05 1wbp s HIS 554 Ca 0.61 0.72 -0.18 0.00 -0.15 0.00 0.00 55.06 56.06 1wbp s HIS 554 Cb -0.15 0.10 0.24 0.00 1.11 0.00 0.00 32.58 33.88 1wbp s HIS 554 CO 0.55 -0.15 1.26 -1.54 -0.85 0.00 0.00 174.74 174.01 1wbp s SER 555 N 0.10 2.17 0.35 1.40 1.04 -1.26 -4.54 113.70 112.95 1wbp s SER 555 Ca -0.00 0.32 -0.17 0.00 0.48 0.00 0.00 55.95 56.57 1wbp s SER 555 Cb -0.02 -0.37 0.04 0.00 0.10 0.00 0.00 66.02 65.77 1wbp s SER 555 CO 0.00 -3.32 0.77 -0.83 0.98 0.00 0.00 173.24 170.84 1wbp s GLY 556 N -4.60 0.24 0.14 7.32 0.00 -0.17 -4.89 107.32 105.36 1wbp s GLY 556 Ca 0.74 -0.62 -0.31 0.00 0.00 0.00 0.00 44.72 44.53 1wbp s GLY 556 CO 0.54 -0.25 1.55 0.83 0.00 0.00 0.00 173.10 175.78 1wbp h GLU 557 N 2.00 -0.29 0.13 2.90 5.08 -1.99 -3.24 114.58 119.16 1wbp h GLU 557 Ca -0.28 0.02 -0.27 0.00 -1.00 0.00 0.00 59.36 57.83 1wbp h GLU 557 Cb 1.25 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1wbp h GLU 557 CO 0.35 -0.20 -1.37 0.93 -1.00 0.00 0.00 179.01 177.73 1wbp h GLU 558 N -0.31 0.27 -6.20 2.33 4.39 -1.97 -3.48 114.58 109.62 1wbp h GLU 558 Ca 0.11 -0.46 -0.50 0.00 0.34 0.00 0.00 59.36 58.86 1wbp h GLU 558 Cb 0.56 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 1wbp h GLU 558 CO -0.67 1.22 -0.39 1.52 -1.16 0.00 0.00 179.01 179.53 1wbp s TYR 559 N -2.48 3.47 0.84 4.33 -0.85 -1.22 -4.97 117.35 116.46 1wbp s TYR 559 Ca -0.19 0.13 -0.10 0.00 -0.52 0.00 0.00 57.07 56.39 1wbp s TYR 559 Cb 0.04 -1.69 0.14 0.00 0.38 0.00 0.00 41.96 40.84 1wbp s TYR 559 CO 0.78 0.41 1.17 0.95 -1.52 0.00 0.00 175.55 177.34 1wbp s THR 560 N -1.94 2.09 0.04 -3.49 -4.23 -1.26 -1.00 115.64 105.84 1wbp s THR 560 Ca 0.36 -0.20 0.12 0.00 -1.18 0.00 0.00 61.69 60.79 1wbp s THR 560 Cb -0.10 -2.89 -0.04 0.00 1.34 0.00 0.00 72.50 70.81 1wbp s THR 560 CO 0.30 0.00 1.44 -0.09 -0.54 0.00 0.00 174.62 175.73 1wbp h ARG 561 N -1.10 0.00 -0.23 3.99 2.43 -1.90 -3.04 114.38 114.52 1wbp h ARG 561 Ca -0.43 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.65 1wbp h ARG 561 Cb 1.27 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 1wbp h ARG 561 CO 0.46 0.68 -0.24 -0.44 -1.51 0.00 0.00 179.97 178.93 1wbp h ASP 562 N 0.00 0.43 0.25 -3.80 3.32 -1.93 -1.81 116.42 112.88 1wbp h ASP 562 Ca -0.01 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 1wbp h ASP 562 Cb 1.43 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1wbp h ASP 562 CO 0.09 0.68 -0.12 -0.08 -1.72 0.00 0.00 179.24 178.09 1wbp h GLU 563 N 0.39 -0.32 -0.19 3.56 4.81 -1.92 -2.32 114.58 118.58 1wbp h GLU 563 Ca 0.06 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.37 1wbp h GLU 563 Cb 0.64 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1wbp h GLU 563 CO 0.05 0.01 0.17 0.22 -0.73 0.00 0.00 179.01 178.73 1wbp h ASP 564 N -0.71 0.00 -0.27 1.04 -0.00 -1.49 0.22 116.42 115.21 1wbp h ASP 564 Ca -0.03 0.00 -0.16 0.00 -0.00 0.00 0.00 57.03 56.84 1wbp h ASP 564 Cb 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.81 1wbp h ASP 564 CO 0.06 0.00 -0.42 -0.74 -0.00 0.00 0.00 179.24 178.14 1wbp h HIS 565 N 0.00 1.00 -0.09 0.28 2.76 -1.09 -1.79 115.15 116.22 1wbp h HIS 565 Ca 0.09 -0.31 -0.18 0.00 -2.20 0.00 0.00 60.37 57.78 1wbp h HIS 565 Cb 0.42 -0.21 0.01 0.00 1.55 0.00 0.00 27.41 29.18 1wbp h HIS 565 CO 0.00 1.10 -0.63 0.82 -1.30 0.00 0.00 177.93 177.92 1wbp h ILE 566 N 0.67 1.34 -0.67 6.26 2.04 -0.31 -2.05 117.51 124.80 1wbp h ILE 566 Ca 0.05 -1.93 0.12 0.00 1.00 0.00 0.00 64.86 64.10 1wbp h ILE 566 Cb 0.99 2.21 -0.04 0.00 -0.74 0.00 0.00 36.82 39.24 1wbp h ILE 566 CO 0.10 0.59 0.45 0.00 0.00 0.00 0.00 178.15 179.28 1wbp h ALA 567 N 0.47 2.06 0.05 1.87 0.00 -0.62 0.14 119.26 123.23 1wbp h ALA 567 Ca -0.05 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.62 1wbp h ALA 567 Cb 1.28 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1wbp h ALA 567 CO 0.13 -0.23 -1.06 -0.07 0.00 0.00 0.00 179.25 178.02 1wbp h LEU 568 N 0.41 0.26 -1.23 0.00 3.38 -1.26 -1.17 115.31 115.71 1wbp h LEU 568 Ca 0.32 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1wbp h LEU 568 Cb 0.68 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1wbp h LEU 568 CO -0.09 1.15 -0.04 0.40 0.09 0.00 0.00 178.44 179.95 1wbp h ILE 569 N 0.07 1.20 0.03 1.22 2.04 -0.08 -2.34 117.51 119.66 1wbp h ILE 569 Ca -0.07 -0.82 -0.07 0.00 1.00 0.00 0.00 64.86 64.90 1wbp h ILE 569 Cb 1.77 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 1wbp h ILE 569 CO 0.16 0.28 -0.32 0.40 0.00 0.00 0.00 178.15 178.67 1wbp h ILE 570 N 0.46 1.64 -0.41 -0.67 2.04 -0.97 -0.76 117.51 118.85 1wbp h ILE 570 Ca 0.10 -2.38 0.12 0.00 1.00 0.00 0.00 64.86 63.70 1wbp h ILE 570 Cb 0.36 3.24 -0.02 0.00 -0.74 0.00 0.00 36.82 39.66 1wbp h ILE 570 CO 0.01 0.61 0.49 -0.33 0.00 0.00 0.00 178.15 178.93 1wbp h GLU 571 N -0.85 0.00 0.04 2.37 5.08 -1.13 1.89 114.58 121.97 1wbp h GLU 571 Ca -0.07 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.91 1wbp h GLU 571 Cb 1.18 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.38 1wbp h GLU 571 CO 0.01 0.00 -2.28 -0.11 -1.00 0.00 0.00 179.01 175.64 1wbp n LEU 572 N -3.60 2.70 -0.09 1.33 7.94 -0.89 0.05 117.00 124.44 1wbp n LEU 572 Ca 0.07 0.05 0.03 0.00 -1.11 0.00 0.00 56.01 55.06 1wbp n LEU 572 Cb 0.66 -0.97 0.06 0.00 0.53 0.00 0.00 43.42 43.70 1wbp n LEU 572 CO 0.26 0.84 0.53 0.18 -1.11 0.00 0.00 177.39 178.09 1wbp n LEU 573 N -3.50 2.22 -0.64 -1.96 4.77 -0.29 -4.15 117.00 113.44 1wbp n LEU 573 Ca -0.42 -2.31 0.07 0.00 -0.03 0.00 0.00 56.01 53.32 1wbp n LEU 573 Cb 0.98 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.89 1wbp n LEU 573 CO 0.28 0.58 -0.28 0.61 -1.33 0.00 0.00 177.39 177.25 1wbp n GLY 574 N -0.66 -3.02 1.35 -0.72 0.00 0.64 -4.93 105.19 97.85 1wbp n GLY 574 Ca 0.06 -1.25 -0.17 0.00 0.00 0.00 0.00 46.02 44.65 1wbp n GLY 574 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wbp n LYS 575 N -2.91 0.00 -3.24 1.61 4.81 -1.26 -4.61 118.16 112.56 1wbp n LYS 575 Ca -0.04 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.02 1wbp n LYS 575 Cb 0.29 -0.41 -0.06 0.00 0.02 0.00 0.00 35.03 34.88 1wbp n LYS 575 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1wbp s VAL 576 N -0.66 4.94 0.23 3.15 1.01 -1.26 -5.02 120.40 122.78 1wbp s VAL 576 Ca 0.24 1.19 -0.31 0.00 0.00 0.00 0.00 61.98 63.10 1wbp s VAL 576 Cb -0.27 -3.90 -0.14 0.00 0.00 0.00 0.00 36.38 32.06 1wbp s VAL 576 CO 0.25 0.43 1.24 -2.65 0.00 0.00 0.00 175.10 174.37 1wbp n PRO 577 N 2.72 1.57 0.10 2.72 -0.02 -1.26 -4.83 135.00 136.01 1wbp n PRO 577 Ca -0.07 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1wbp n PRO 577 Cb 0.51 -2.10 0.32 0.00 -0.02 0.00 0.00 33.50 32.21 1wbp n PRO 577 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1wbp h ARG 578 N 3.42 0.26 -0.10 -0.52 2.43 -1.97 -0.96 114.38 116.94 1wbp h ARG 578 Ca -0.43 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 58.60 1wbp h ARG 578 Cb 1.31 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 1wbp h ARG 578 CO 0.70 0.48 -0.19 1.57 -1.51 0.00 0.00 179.97 181.03 1wbp h LYS 579 N 0.23 0.16 0.02 0.20 2.10 -2.00 -1.77 116.57 115.50 1wbp h LYS 579 Ca 0.04 -0.04 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1wbp h LYS 579 Cb 0.55 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 1wbp h LYS 579 CO 0.04 0.35 -0.01 1.25 -2.00 0.00 0.00 179.45 179.08 1wbp h LEU 580 N 0.15 -0.02 -0.43 7.07 5.85 -1.79 -3.22 115.31 122.92 1wbp h LEU 580 Ca 0.03 -0.75 0.09 0.00 0.84 0.00 0.00 57.88 58.09 1wbp h LEU 580 Cb 0.43 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.37 1wbp h LEU 580 CO 0.03 0.79 -0.22 0.40 -0.34 0.00 0.00 178.44 179.09 1wbp h ILE 581 N -0.88 0.37 -0.45 4.05 2.04 -0.98 0.21 117.51 121.88 1wbp h ILE 581 Ca -0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 1wbp h ILE 581 Cb 0.77 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1wbp h ILE 581 CO 0.00 0.00 0.32 -0.37 0.00 0.00 0.00 178.15 178.10 1wbp h VAL 582 N -0.14 0.80 -0.02 1.67 -1.51 -1.45 -0.46 116.25 115.14 1wbp h VAL 582 Ca 0.20 -0.02 -0.15 0.00 -1.23 0.00 0.00 66.70 65.50 1wbp h VAL 582 Cb 0.46 0.74 -0.02 0.00 -2.13 0.00 0.00 31.29 30.34 1wbp h VAL 582 CO -0.51 0.01 -0.70 0.00 -1.23 0.00 0.00 177.57 175.14 1wbp h ALA 583 N 1.78 0.80 -2.41 5.19 0.00 -0.63 -3.44 119.26 120.55 1wbp h ALA 583 Ca 0.21 -0.62 -0.54 0.00 0.00 0.00 0.00 54.91 53.96 1wbp h ALA 583 Cb 0.78 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1wbp h ALA 583 CO -0.01 0.84 1.00 0.20 0.00 0.00 0.00 179.25 181.28 1wbp s GLY 584 N -4.47 1.58 0.22 0.00 0.00 -0.18 -4.58 107.32 99.89 1wbp s GLY 584 Ca -0.02 1.13 0.24 0.00 0.00 0.00 0.00 44.72 46.08 1wbp s GLY 584 CO 0.79 2.89 1.73 0.58 0.00 0.00 0.00 173.10 179.09 1wbp n LYS 585 N 5.86 0.20 0.00 2.90 2.85 -0.45 -2.88 118.16 126.65 1wbp n LYS 585 Ca 0.16 0.32 0.05 0.00 -1.05 0.00 0.00 58.31 57.79 1wbp n LYS 585 Cb 0.41 -1.81 -0.04 0.00 -0.65 0.00 0.00 35.03 32.94 1wbp n LYS 585 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1wbp n TYR 586 N -2.18 0.00 -0.34 5.58 4.01 -0.43 -4.67 117.16 119.14 1wbp n TYR 586 Ca 0.04 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.89 1wbp n TYR 586 Cb 0.31 0.00 0.23 0.00 -0.31 0.00 0.00 39.34 39.57 1wbp n TYR 586 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1wbp n SER 587 N -0.94 -0.19 0.17 7.72 7.64 -1.14 -0.60 113.62 126.28 1wbp n SER 587 Ca 0.03 1.64 0.06 0.00 1.01 0.00 0.00 58.87 61.60 1wbp n SER 587 Cb 0.19 -0.56 0.30 0.00 -1.01 0.00 0.00 64.21 63.12 1wbp n SER 587 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1wbp h LYS 588 N 0.00 0.00 0.00 1.43 1.63 -1.80 0.25 116.57 118.07 1wbp h LYS 588 Ca 0.54 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.34 1wbp h LYS 588 Cb 1.03 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.66 1wbp h LYS 588 CO -0.93 0.00 -1.02 0.39 -3.45 0.00 0.00 179.45 174.44 1wbp n GLU 589 N -2.03 0.46 -0.01 1.90 1.02 0.23 -4.57 120.64 117.64 1wbp n GLU 589 Ca -0.01 0.05 -0.02 0.00 -0.02 0.00 0.00 57.16 57.17 1wbp n GLU 589 Cb 0.42 -1.71 -0.01 0.00 -0.02 0.00 0.00 31.44 30.12 1wbp n GLU 589 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1wbp n PHE 590 N -2.33 0.00 -3.40 -0.32 3.72 0.63 -4.97 117.46 110.79 1wbp n PHE 590 Ca 0.01 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.03 1wbp n PHE 590 Cb 0.50 -0.08 -0.06 0.00 -0.94 0.00 0.00 39.48 38.90 1wbp n PHE 590 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1wbp s PHE 591 N -2.04 3.71 0.56 1.38 0.08 0.16 -1.55 117.98 120.29 1wbp s PHE 591 Ca -0.03 1.06 -0.07 0.00 0.12 0.00 0.00 56.93 58.01 1wbp s PHE 591 Cb 0.01 -2.40 0.13 0.00 -0.57 0.00 0.00 43.02 40.18 1wbp s PHE 591 CO 0.05 0.54 0.77 0.25 -0.10 0.00 0.00 175.22 176.72 1wbp n THR 592 N 2.13 0.00 -0.14 0.64 -2.24 0.37 -4.56 114.28 110.47 1wbp n THR 592 Ca -0.12 -0.71 -0.08 0.00 -2.27 0.00 0.00 64.05 60.87 1wbp n THR 592 Cb 0.52 -1.52 0.00 0.00 -2.10 0.00 0.00 70.33 67.23 1wbp n THR 592 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1wbp h LYS 593 N 0.00 0.58 -0.66 -0.78 -0.00 -1.99 -2.72 116.57 111.00 1wbp h LYS 593 Ca -0.25 -0.05 0.05 0.00 -0.00 0.00 0.00 60.65 60.40 1wbp h LYS 593 Cb 0.74 -0.12 -0.05 0.00 -0.00 0.00 0.00 32.23 32.80 1wbp h LYS 593 CO 0.20 0.42 0.37 0.87 -0.00 0.00 0.00 179.45 181.31 1wbp h LYS 594 N 0.57 0.67 0.00 0.07 1.57 -2.04 -3.46 116.57 113.95 1wbp h LYS 594 Ca 0.15 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1wbp h LYS 594 Cb -0.01 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.15 1wbp h LYS 594 CO -0.03 0.45 0.00 0.41 -0.57 0.00 0.00 179.45 179.71 1wbp n GLY 595 N -1.28 1.83 3.54 3.86 0.00 -1.02 -5.10 105.19 107.00 1wbp n GLY 595 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1wbp n GLY 595 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wbp s ASP 596 N -1.83 3.97 0.19 1.61 -0.00 -1.26 -4.83 116.67 114.53 1wbp s ASP 596 Ca 0.00 -0.82 -0.30 0.00 -0.00 0.00 0.00 52.55 51.43 1wbp s ASP 596 Cb 0.00 -0.53 -0.08 0.00 -0.00 0.00 0.00 42.92 42.30 1wbp s ASP 596 CO 0.00 0.05 1.26 -0.76 -0.00 0.00 0.00 175.17 175.72 1wbp s LEU 597 N -3.36 4.43 -0.09 1.23 1.43 -1.26 -0.48 118.68 120.57 1wbp s LEU 597 Ca 0.29 2.33 -0.05 0.00 -1.03 0.00 0.00 54.13 55.67 1wbp s LEU 597 Cb -0.06 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 1wbp s LEU 597 CO 0.16 -0.47 0.17 0.07 0.23 0.00 0.00 176.35 176.51 1wbp h LYS 598 N 5.33 -0.08 -0.06 1.70 2.10 -1.64 -3.40 116.57 120.52 1wbp h LYS 598 Ca -0.45 0.01 -0.14 0.00 -2.00 0.00 0.00 60.65 58.07 1wbp h LYS 598 Cb 1.21 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.55 1wbp h LYS 598 CO 0.76 0.03 -0.60 0.45 -2.00 0.00 0.00 179.45 178.09 1wbp h HIS 599 N -1.02 0.26 -3.44 0.07 3.86 -1.94 -3.39 115.15 109.57 1wbp h HIS 599 Ca -0.01 -0.10 -0.72 0.00 -1.16 0.00 0.00 60.37 58.38 1wbp h HIS 599 Cb 0.14 -0.05 -0.26 0.00 1.06 0.00 0.00 27.41 28.31 1wbp h HIS 599 CO 0.02 0.75 -0.44 0.42 0.86 0.00 0.00 177.93 179.55 1wbp s ILE 600 N -3.75 4.55 -0.23 2.45 1.01 -1.26 -4.86 121.20 119.12 1wbp s ILE 600 Ca -0.04 -1.21 -0.16 0.00 0.00 0.00 0.00 60.65 59.24 1wbp s ILE 600 Cb 0.12 -3.72 -0.10 0.00 0.01 0.00 0.00 42.46 38.77 1wbp s ILE 600 CO 0.79 -0.48 -0.28 0.35 0.00 0.00 0.00 174.94 175.32 1wbp n THR 601 N 5.01 1.51 -2.49 2.92 -2.24 -1.26 -4.55 114.28 113.18 1wbp n THR 601 Ca -0.11 -0.12 -0.40 0.00 -2.27 0.00 0.00 64.05 61.15 1wbp n THR 601 Cb 0.44 -2.10 -0.02 0.00 -2.10 0.00 0.00 70.33 66.54 1wbp n THR 601 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1wbp s LYS 602 N -2.61 3.59 0.00 -0.78 1.02 -1.26 -4.99 119.74 114.72 1wbp s LYS 602 Ca -0.33 -1.43 -0.21 0.00 0.02 0.00 0.00 55.97 54.02 1wbp s LYS 602 Cb 0.09 -5.40 -0.05 0.00 -0.52 0.00 0.00 37.83 31.94 1wbp s LYS 602 CO 0.46 -2.46 0.63 -0.51 -0.92 0.00 0.00 175.35 172.55 1wbp s LEU 603 N 5.52 4.42 -0.69 3.17 1.43 -1.26 -5.04 118.68 126.24 1wbp s LEU 603 Ca 0.53 1.21 -0.05 0.00 -1.03 0.00 0.00 54.13 54.79 1wbp s LEU 603 Cb 0.01 -2.98 0.18 0.00 0.03 0.00 0.00 46.19 43.43 1wbp s LEU 603 CO 0.00 0.09 0.53 -0.54 0.23 0.00 0.00 176.35 176.66 1wbp s LYS 604 N -0.17 2.83 0.65 1.70 -0.14 -1.26 -5.08 119.74 118.27 1wbp s LYS 604 Ca 0.32 -2.58 -0.18 0.00 -1.36 0.00 0.00 55.97 52.17 1wbp s LYS 604 Cb -0.19 -3.89 -0.01 0.00 -1.68 0.00 0.00 37.83 32.07 1wbp s LYS 604 CO 0.18 -1.20 1.29 -1.25 -0.76 0.00 0.00 175.35 173.61 1wbp s PRO 605 N -0.13 2.54 -0.18 -1.68 0.04 -1.26 -4.90 135.00 129.42 1wbp s PRO 605 Ca 0.18 2.05 -0.19 0.00 0.04 0.00 0.00 61.00 63.08 1wbp s PRO 605 Cb -0.17 -1.85 0.05 0.00 0.04 0.00 0.00 34.50 32.57 1wbp s PRO 605 CO -0.05 -1.60 0.52 -0.46 0.04 0.00 0.00 177.00 175.45 1wbp s TRP 606 N -1.43 -0.56 0.06 0.56 -0.00 0.11 -5.03 118.94 112.65 1wbp s TRP 606 Ca 0.82 1.35 -0.06 0.00 -0.00 0.00 0.00 56.10 58.21 1wbp s TRP 606 Cb -0.37 0.20 -0.05 0.00 -0.00 0.00 0.00 33.47 33.25 1wbp s TRP 606 CO 0.40 -0.30 0.32 0.20 -0.00 0.00 0.00 176.95 177.56 1wbp s GLY 607 N 0.14 2.26 0.18 5.86 0.00 -1.26 -3.86 107.32 110.64 1wbp s GLY 607 Ca -0.01 -0.56 -0.21 0.00 0.00 0.00 0.00 44.72 43.94 1wbp s GLY 607 CO 0.01 -0.41 1.59 -2.00 0.00 0.00 0.00 173.10 172.29 1wbp h LEU 608 N 3.54 -1.13 -0.25 0.66 5.85 -1.94 0.11 115.31 122.15 1wbp h LEU 608 Ca -0.48 0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.52 1wbp h LEU 608 Cb 1.18 0.56 -0.06 0.00 0.37 0.00 0.00 40.66 42.71 1wbp h LEU 608 CO 0.69 -0.30 -0.16 0.15 -0.34 0.00 0.00 178.44 178.48 1wbp h PHE 609 N -0.17 -0.40 -0.77 1.25 3.57 -1.94 -2.02 116.94 116.46 1wbp h PHE 609 Ca 0.23 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 1wbp h PHE 609 Cb 0.55 0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.46 1wbp h PHE 609 CO -0.62 -0.23 0.37 0.93 -2.23 0.00 0.00 178.31 176.53 1wbp h GLU 610 N -0.14 1.09 -0.14 1.11 5.08 -1.63 -2.74 114.58 117.21 1wbp h GLU 610 Ca 0.14 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1wbp h GLU 610 Cb 0.35 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1wbp h GLU 610 CO -0.34 0.84 0.03 0.28 -1.00 0.00 0.00 179.01 178.82 1wbp h VAL 611 N 1.09 0.94 -0.23 3.13 2.07 -0.16 0.67 116.25 123.76 1wbp h VAL 611 Ca 0.27 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.81 1wbp h VAL 611 Cb 0.10 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 1wbp h VAL 611 CO -0.03 0.02 -0.17 -0.07 0.02 0.00 0.00 177.57 177.34 1wbp h LEU 612 N 0.08 -0.54 0.05 2.57 3.38 -1.25 0.12 115.31 119.72 1wbp h LEU 612 Ca 0.06 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1wbp h LEU 612 Cb 0.06 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1wbp h LEU 612 CO -0.09 -0.21 -0.02 0.58 0.09 0.00 0.00 178.44 178.79 1wbp h VAL 613 N -0.16 1.29 -0.22 1.22 2.07 -1.18 -1.00 116.25 118.26 1wbp h VAL 613 Ca 0.13 -1.22 -0.19 0.00 0.82 0.00 0.00 66.70 66.25 1wbp h VAL 613 Cb 0.36 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1wbp h VAL 613 CO -0.33 0.30 -0.59 -0.33 0.02 0.00 0.00 177.57 176.65 1wbp h GLU 614 N -0.62 0.79 0.02 1.57 5.08 0.39 -2.97 114.58 118.85 1wbp h GLU 614 Ca -0.01 -0.55 -0.35 0.00 -1.00 0.00 0.00 59.36 57.45 1wbp h GLU 614 Cb 0.54 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 1wbp h GLU 614 CO 0.01 1.18 -1.96 1.17 -1.00 0.00 0.00 179.01 178.41 1wbp n LYS 615 N -4.05 0.61 -0.71 2.33 4.81 0.38 -4.51 118.16 117.02 1wbp n LYS 615 Ca -0.06 0.38 0.07 0.00 -0.87 0.00 0.00 58.31 57.83 1wbp n LYS 615 Cb 0.65 -1.63 0.34 0.00 0.02 0.00 0.00 35.03 34.41 1wbp n LYS 615 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1wbp n TYR 616 N -4.12 1.67 -4.37 5.64 4.02 -0.90 -4.95 117.16 114.15 1wbp n TYR 616 Ca -0.42 -0.60 -0.39 0.00 -0.01 0.00 0.00 57.90 56.48 1wbp n TYR 616 Cb 0.84 -0.39 -0.05 0.00 -0.02 0.00 0.00 39.34 39.72 1wbp n TYR 616 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1wbp n GLU 617 N 0.68 -2.06 -2.93 -0.72 1.02 -0.92 -4.87 120.64 110.85 1wbp n GLU 617 Ca 0.24 0.27 -0.38 0.00 -0.02 0.00 0.00 57.16 57.27 1wbp n GLU 617 Cb 0.99 -4.92 -0.06 0.00 -0.02 0.00 0.00 31.44 27.43 1wbp n GLU 617 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1wbp s TRP 618 N -3.28 3.76 0.47 -0.32 0.52 -0.43 -4.95 118.94 114.72 1wbp s TRP 618 Ca 0.78 1.64 -0.24 0.00 0.02 0.00 0.00 56.10 58.30 1wbp s TRP 618 Cb -0.44 -2.79 -0.07 0.00 -1.15 0.00 0.00 33.47 29.01 1wbp s TRP 618 CO 0.97 0.35 1.38 -1.54 0.02 0.00 0.00 176.95 178.13 1wbp s SER 619 N -1.47 5.79 0.42 2.95 1.04 -1.26 -4.22 113.70 116.95 1wbp s SER 619 Ca 0.43 2.81 0.18 0.00 0.48 0.00 0.00 55.95 59.86 1wbp s SER 619 Cb -0.20 -2.64 1.10 0.00 0.10 0.00 0.00 66.02 64.38 1wbp s SER 619 CO 0.24 -1.22 1.84 1.56 0.98 0.00 0.00 173.24 176.64 1wbp h GLN 620 N 2.13 0.38 0.04 4.02 4.20 -1.97 -0.52 115.11 123.40 1wbp h GLN 620 Ca -0.51 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.18 1wbp h GLN 620 Cb 1.27 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.96 1wbp h GLN 620 CO 0.60 0.25 -0.02 0.93 -0.67 0.00 0.00 178.83 179.93 1wbp h GLU 621 N 0.40 -0.05 -0.10 1.46 3.07 -2.00 -2.18 114.58 115.17 1wbp h GLU 621 Ca 0.49 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.34 1wbp h GLU 621 Cb 1.26 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1wbp h GLU 621 CO -0.19 0.02 -0.03 0.93 -1.40 0.00 0.00 179.01 178.34 1wbp h GLU 622 N -0.11 0.19 -0.94 2.33 4.39 -1.53 -2.88 114.58 116.04 1wbp h GLU 622 Ca -0.01 -0.07 0.09 0.00 0.34 0.00 0.00 59.36 59.71 1wbp h GLU 622 Cb 0.09 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.67 1wbp h GLU 622 CO 0.01 0.51 0.60 0.00 -1.16 0.00 0.00 179.01 178.97 1wbp h ALA 623 N 0.68 1.55 -0.43 3.43 0.00 -1.18 -2.07 119.26 121.24 1wbp h ALA 623 Ca 0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1wbp h ALA 623 Cb 0.44 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1wbp h ALA 623 CO 0.01 0.27 0.13 0.00 0.00 0.00 0.00 179.25 179.65 1wbp h ALA 624 N 1.53 0.57 -0.36 0.00 0.00 -1.35 0.15 119.26 119.79 1wbp h ALA 624 Ca 0.43 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 1wbp h ALA 624 Cb 0.35 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1wbp h ALA 624 CO -0.19 0.22 -0.15 0.78 0.00 0.00 0.00 179.25 179.92 1wbp h GLY 625 N 0.56 0.80 0.74 0.00 0.00 -1.24 -0.88 103.07 103.05 1wbp h GLY 625 Ca 0.14 -0.70 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 1wbp h GLY 625 CO -0.00 0.64 -0.02 -2.75 0.00 0.00 0.00 176.54 174.41 1wbp h PHE 626 N 0.53 -0.06 -0.87 5.60 -0.00 -1.32 -2.37 116.94 118.45 1wbp h PHE 626 Ca 0.08 -0.00 0.05 0.00 -0.00 0.00 0.00 57.97 58.10 1wbp h PHE 626 Cb 0.68 0.02 -0.06 0.00 -0.00 0.00 0.00 35.95 36.59 1wbp h PHE 626 CO 0.06 0.21 0.55 1.15 -0.00 0.00 0.00 178.31 180.28 1wbp h THR 627 N -0.32 1.09 0.00 4.41 2.02 -0.72 0.16 112.91 119.55 1wbp h THR 627 Ca -0.01 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1wbp h THR 627 Cb 0.29 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1wbp h THR 627 CO 0.01 0.19 0.00 -0.78 0.37 0.00 0.00 175.52 175.31 1wbp h ASP 628 N 1.04 0.00 0.09 4.18 3.58 -1.02 -2.89 116.42 121.41 1wbp h ASP 628 Ca 0.37 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.46 1wbp h ASP 628 Cb 0.10 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.12 1wbp h ASP 628 CO -0.15 0.00 -1.96 0.33 -2.88 0.00 0.00 179.24 174.58 1wbp n PHE 629 N -2.85 1.06 0.09 0.28 7.35 0.24 -4.64 117.46 119.00 1wbp n PHE 629 Ca -0.01 0.26 -0.11 0.00 -0.76 0.00 0.00 57.45 56.83 1wbp n PHE 629 Cb 0.19 -1.13 -0.07 0.00 0.35 0.00 0.00 39.48 38.81 1wbp n PHE 629 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1wbp h LEU 630 N -0.12 -0.26 -0.94 -2.13 3.38 -0.71 -3.37 115.31 111.16 1wbp h LEU 630 Ca -0.44 -0.27 0.28 0.00 0.09 0.00 0.00 57.88 57.54 1wbp h LEU 630 Cb 1.90 0.07 -0.17 0.00 0.09 0.00 0.00 40.66 42.56 1wbp h LEU 630 CO 0.01 0.24 0.19 -0.07 0.09 0.00 0.00 178.44 178.91 1wbp h LEU 631 N -0.87 -0.15 -2.19 1.67 3.38 -1.77 0.57 115.31 115.94 1wbp h LEU 631 Ca -0.03 0.24 0.05 0.00 0.09 0.00 0.00 57.88 58.23 1wbp h LEU 631 Cb 0.51 0.36 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1wbp h LEU 631 CO 0.05 -0.28 0.16 -0.65 0.09 0.00 0.00 178.44 177.81 1wbp h PRO 632 N 0.09 0.00 0.00 1.13 0.11 -1.82 0.27 132.00 131.77 1wbp h PRO 632 Ca 0.62 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.73 1wbp h PRO 632 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1wbp h PRO 632 CO -0.79 0.00 -0.47 -1.33 -0.21 0.00 0.00 178.00 175.21 1wbp n MET 633 N -4.03 0.15 -0.82 1.05 2.81 0.20 -0.61 117.12 115.86 1wbp n MET 633 Ca 0.01 0.05 -0.05 0.00 -1.81 0.00 0.00 57.70 55.91 1wbp n MET 633 Cb 0.29 -1.60 0.23 0.00 -0.71 0.00 0.00 33.22 31.42 1wbp n MET 633 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1wbp n LEU 634 N -1.82 4.79 -4.67 4.03 4.77 0.91 -3.91 117.00 121.09 1wbp n LEU 634 Ca 0.05 -3.48 -0.42 0.00 -0.03 0.00 0.00 56.01 52.12 1wbp n LEU 634 Cb 0.39 -0.66 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 1wbp n LEU 634 CO 0.34 1.02 1.39 -1.61 -1.33 0.00 0.00 177.39 177.20 1wbp s GLU 635 N -3.12 4.18 0.56 3.23 0.41 -1.03 -4.88 118.70 118.06 1wbp s GLU 635 Ca 0.48 2.31 0.24 0.00 -0.41 0.00 0.00 54.97 57.59 1wbp s GLU 635 Cb 0.41 -3.88 1.56 0.00 -1.78 0.00 0.00 34.13 30.44 1wbp s GLU 635 CO 0.06 -0.82 2.19 -0.07 -0.49 0.00 0.00 175.26 176.12 1wbp h LEU 636 N 9.69 0.00 -8.09 1.80 3.38 -1.93 -3.37 115.31 116.78 1wbp h LEU 636 Ca -0.42 0.00 -0.76 0.00 0.09 0.00 0.00 57.88 56.79 1wbp h LEU 636 Cb 1.20 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.71 1wbp h LEU 636 CO 0.94 0.00 -0.22 -0.63 0.09 0.00 0.00 178.44 178.62 1wbp s ILE 637 N -4.83 5.21 0.26 1.22 1.01 -1.26 -4.78 121.20 118.02 1wbp s ILE 637 Ca -0.05 -1.49 0.14 0.00 0.00 0.00 0.00 60.65 59.25 1wbp s ILE 637 Cb 0.16 -4.34 0.25 0.00 0.01 0.00 0.00 42.46 38.55 1wbp s ILE 637 CO 0.61 -0.87 1.13 -0.81 0.00 0.00 0.00 174.94 175.00 1wbp n PRO 638 N 5.26 -0.04 0.11 2.79 -0.04 -1.26 0.82 135.00 142.64 1wbp n PRO 638 Ca -0.14 0.99 -0.03 0.00 -0.04 0.00 0.00 63.50 64.29 1wbp n PRO 638 Cb 0.40 -1.77 0.16 0.00 -0.04 0.00 0.00 33.50 32.25 1wbp n PRO 638 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1wbp h GLU 639 N 0.00 0.12 0.10 0.54 3.07 -1.93 -3.08 114.58 113.40 1wbp h GLU 639 Ca 0.59 -0.08 -0.28 0.00 -0.50 0.00 0.00 59.36 59.09 1wbp h GLU 639 Cb 1.55 0.01 0.02 0.00 -0.84 0.00 0.00 28.75 29.50 1wbp h GLU 639 CO -0.56 0.68 -1.19 -0.22 -1.40 0.00 0.00 179.01 176.32 1wbp h LYS 640 N 0.09 0.54 -6.27 2.33 3.64 0.05 -3.47 116.57 113.48 1wbp h LYS 640 Ca -0.01 -0.71 -0.61 0.00 -1.27 0.00 0.00 60.65 58.06 1wbp h LYS 640 Cb 1.06 0.23 0.15 0.00 -0.41 0.00 0.00 32.23 33.27 1wbp h LYS 640 CO 0.08 1.31 -0.54 -2.13 -2.27 0.00 0.00 179.45 175.90 1wbp n ARG 641 N -3.75 0.43 -2.01 1.90 0.63 -0.56 -4.89 116.66 108.41 1wbp n ARG 641 Ca -0.12 0.16 -0.37 0.00 -0.92 0.00 0.00 57.85 56.61 1wbp n ARG 641 Cb 0.96 -1.41 0.03 0.00 0.45 0.00 0.00 32.46 32.49 1wbp n ARG 641 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1wbp s ALA 642 N -1.56 2.68 0.62 5.13 0.00 0.22 -5.01 121.76 123.85 1wbp s ALA 642 Ca 0.63 1.06 -0.03 0.00 0.00 0.00 0.00 51.96 53.63 1wbp s ALA 642 Cb -0.59 -3.46 0.05 0.00 0.00 0.00 0.00 23.12 19.12 1wbp s ALA 642 CO 0.59 -1.11 0.89 0.95 0.00 0.00 0.00 175.76 177.08 1wbp s THR 643 N -1.52 2.53 0.15 0.00 -4.23 -1.26 -4.87 115.64 106.44 1wbp s THR 643 Ca 0.74 -0.46 -0.12 0.00 -1.18 0.00 0.00 61.69 60.67 1wbp s THR 643 Cb -0.32 -3.02 0.02 0.00 1.34 0.00 0.00 72.50 70.52 1wbp s THR 643 CO 0.36 -0.02 1.59 0.00 -0.54 0.00 0.00 174.62 176.02 1wbp h ALA 644 N -0.25 0.67 -0.20 3.99 0.00 -1.93 -1.55 119.26 119.99 1wbp h ALA 644 Ca -0.43 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.16 1wbp h ALA 644 Cb 1.30 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1wbp h ALA 644 CO 0.56 0.51 0.07 0.00 0.00 0.00 0.00 179.25 180.39 1wbp h ALA 645 N 0.92 0.26 -0.92 0.00 0.00 -1.94 -2.64 119.26 114.94 1wbp h ALA 645 Ca 0.14 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1wbp h ALA 645 Cb 0.56 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1wbp h ALA 645 CO 0.03 -0.13 0.61 0.93 0.00 0.00 0.00 179.25 180.68 1wbp h GLU 646 N 0.17 1.14 0.00 0.00 5.08 -1.91 -1.94 114.58 117.11 1wbp h GLU 646 Ca 0.07 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1wbp h GLU 646 Cb 0.20 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1wbp h GLU 646 CO -0.00 0.75 -0.27 0.00 -1.00 0.00 0.00 179.01 178.49 1wbp h LEU 648 N 0.00 0.00 -0.07 0.00 3.38 -1.00 -2.57 115.31 115.06 1wbp h LEU 648 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wbp h LEU 648 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1wbp h LEU 648 CO 0.04 0.08 -0.39 0.54 0.09 0.00 0.00 178.44 178.80 1wbp n ARG 649 N -3.20 0.13 -2.10 1.13 1.74 -0.93 -4.89 116.66 108.54 1wbp n ARG 649 Ca 0.01 -0.07 -0.40 0.00 -0.77 0.00 0.00 57.85 56.61 1wbp n ARG 649 Cb 0.37 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.29 1wbp n ARG 649 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1wbp s HIS 650 N -2.92 3.00 0.16 -1.55 2.46 -0.97 -4.93 115.29 110.55 1wbp s HIS 650 Ca 0.14 1.41 0.34 0.00 0.47 0.00 0.00 55.06 57.42 1wbp s HIS 650 Cb 0.18 -3.69 1.46 0.00 -0.13 0.00 0.00 32.58 30.40 1wbp s HIS 650 CO 0.65 -1.93 2.02 -1.00 -2.47 0.00 0.00 174.74 172.01 1wbp h PRO 651 N 3.27 0.00 -0.98 2.88 0.13 -1.90 -3.21 132.00 132.18 1wbp h PRO 651 Ca -0.49 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.75 1wbp h PRO 651 Cb 1.23 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.28 1wbp h PRO 651 CO 0.65 0.01 0.62 2.35 -0.23 0.00 0.00 178.00 181.41 1wbp h TRP 652 N 0.00 1.10 0.00 1.56 7.01 -1.90 -1.15 115.95 122.58 1wbp h TRP 652 Ca -0.00 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.03 1wbp h TRP 652 Cb 0.47 -0.35 0.00 0.00 -2.10 0.00 0.00 29.16 27.18 1wbp h TRP 652 CO 0.00 0.45 0.00 -0.07 -2.79 0.00 0.00 178.44 176.03 1wbp h LEU 653 N 0.97 0.00 -4.39 0.65 3.38 -1.90 -3.19 115.31 110.84 1wbp h LEU 653 Ca 0.48 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.87 1wbp h LEU 653 Cb 0.47 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 40.80 1wbp h LEU 653 CO -0.24 0.00 -0.75 -0.46 0.09 0.00 0.00 178.44 177.08 1wbp n ASN 654 N -3.07 4.74 0.00 -0.43 0.23 -0.43 -4.77 115.26 111.53 1wbp n ASN 654 Ca -0.01 -3.72 0.00 0.00 -0.53 0.00 0.00 54.58 50.31 1wbp n ASN 654 Cb 0.18 -0.44 0.00 0.00 -2.08 0.00 0.00 39.78 37.44 1wbp n ASN 654 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13