#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sbx n SER 88 N 0.00 1.59 -2.30 1.61 3.41 -1.26 -4.83 113.62 111.84 1sbx n SER 88 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1sbx n SER 88 Cb 0.00 1.63 0.00 0.00 -0.26 0.00 0.00 64.21 65.58 1sbx n SER 88 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1sbx n HIS 89 N -2.05 0.00 0.00 7.33 -0.00 -1.26 -4.26 115.22 114.98 1sbx n HIS 89 Ca -0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.14 1sbx n HIS 89 Cb 0.43 -0.26 0.00 0.00 -0.12 0.00 0.00 29.99 30.03 1sbx n HIS 89 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1sbx n PHE 91 N 2.14 0.00 -4.01 1.57 0.99 -1.26 -5.11 117.46 111.78 1sbx n PHE 91 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.37 1sbx n PHE 91 Cb 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 39.48 38.39 1sbx n PHE 91 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1sbx s PRO 93 N 0.00 0.72 0.58 -1.08 0.04 -1.26 -5.27 135.00 128.73 1sbx s PRO 93 Ca 0.00 -1.15 -0.07 0.00 0.04 0.00 0.00 61.00 59.82 1sbx s PRO 93 Cb 0.00 0.26 -0.01 0.00 0.04 0.00 0.00 34.50 34.79 1sbx s PRO 93 CO 0.00 -0.18 0.91 -1.54 0.04 0.00 0.00 177.00 176.23 1sbx s SER 94 N -2.91 5.85 0.52 6.66 1.04 -1.26 -5.03 113.70 118.57 1sbx s SER 94 Ca 0.08 0.93 -0.22 0.00 0.48 0.00 0.00 55.95 57.21 1sbx s SER 94 Cb 0.07 -1.99 -0.05 0.00 0.10 0.00 0.00 66.02 64.14 1sbx s SER 94 CO -0.09 -0.94 1.28 -1.81 0.98 0.00 0.00 173.24 172.66 1sbx s ASP 95 N -4.24 5.55 0.43 7.02 -0.00 -1.26 -5.03 116.67 119.14 1sbx s ASP 95 Ca 0.53 2.58 0.08 0.00 -0.00 0.00 0.00 52.55 55.73 1sbx s ASP 95 Cb -0.11 -2.62 0.00 0.00 -0.00 0.00 0.00 42.92 40.19 1sbx s ASP 95 CO 0.47 -1.36 0.49 0.00 -0.00 0.00 0.00 175.17 174.77 1sbx s ARG 96 N -2.88 2.66 0.12 8.23 1.70 -1.26 -5.07 118.95 122.45 1sbx s ARG 96 Ca 0.70 -1.41 -0.30 0.00 -0.47 0.00 0.00 55.73 54.24 1sbx s ARG 96 Cb -0.36 -2.57 -0.07 0.00 -0.57 0.00 0.00 34.95 31.39 1sbx s ARG 96 CO 0.42 -0.28 1.15 -1.12 -1.08 0.00 0.00 175.30 174.39 1sbx s SER 97 N -4.27 7.16 0.00 -2.89 0.01 -1.26 -4.91 113.70 107.54 1sbx s SER 97 Ca 0.52 2.06 0.00 0.00 1.31 0.00 0.00 55.95 59.84 1sbx s SER 97 Cb -0.07 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1sbx s SER 97 CO 0.31 -0.35 0.28 0.35 0.41 0.00 0.00 173.24 174.24 1sbx n THR 98 N 3.11 0.00 -3.44 1.44 -2.24 -1.26 -4.73 114.28 107.16 1sbx n THR 98 Ca 0.06 -0.45 -0.13 0.00 -2.27 0.00 0.00 64.05 61.25 1sbx n THR 98 Cb 0.46 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.72 1sbx n THR 98 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1sbx s GLU 99 N -0.34 1.24 0.41 -0.78 1.03 -1.26 -5.16 118.70 113.84 1sbx s GLU 99 Ca 0.00 -0.35 0.08 0.00 0.03 0.00 0.00 54.97 54.73 1sbx s GLU 99 Cb 0.00 0.57 -0.04 0.00 -0.80 0.00 0.00 34.13 33.86 1sbx s GLU 99 CO 0.00 -0.52 0.26 -0.98 -1.33 0.00 0.00 175.26 172.70 1sbx s ARG 100 N -3.31 2.37 0.05 -4.83 1.04 -1.26 -4.75 118.95 108.26 1sbx s ARG 100 Ca -0.01 -1.68 -0.00 0.00 -1.04 0.00 0.00 55.73 52.99 1sbx s ARG 100 Cb -0.01 -2.17 0.00 0.00 -2.04 0.00 0.00 34.95 30.73 1sbx s ARG 100 CO -0.09 -0.13 0.06 0.00 -0.04 0.00 0.00 175.30 175.10 1sbx s GLU 102 N -2.11 1.52 0.05 0.00 -1.05 -1.26 -0.44 118.70 115.41 1sbx s GLU 102 Ca 0.04 -1.31 -0.21 0.00 -0.15 0.00 0.00 54.97 53.33 1sbx s GLU 102 Cb -0.00 0.45 0.05 0.00 -0.44 0.00 0.00 34.13 34.18 1sbx s GLU 102 CO 0.03 -0.62 0.50 -0.08 0.95 0.00 0.00 175.26 176.04 1sbx s THR 103 N -3.99 0.03 -0.22 1.83 -1.32 -0.53 -4.92 115.64 106.52 1sbx s THR 103 Ca 0.25 -0.29 -0.16 0.00 -1.21 0.00 0.00 61.69 60.28 1sbx s THR 103 Cb 0.00 -0.97 -0.04 0.00 -1.51 0.00 0.00 72.50 69.98 1sbx s THR 103 CO 0.10 -0.16 0.40 -0.69 -2.21 0.00 0.00 174.62 172.06 1sbx s VAL 104 N -2.48 5.18 -0.25 5.08 1.01 -1.26 -0.57 120.40 127.12 1sbx s VAL 104 Ca -0.05 0.69 0.03 0.00 0.00 0.00 0.00 61.98 62.64 1sbx s VAL 104 Cb -0.01 -3.73 0.05 0.00 0.00 0.00 0.00 36.38 32.70 1sbx s VAL 104 CO -0.02 0.22 -0.12 -0.22 0.00 0.00 0.00 175.10 174.95 1sbx s LEU 105 N 1.57 3.23 -1.62 3.92 2.96 0.67 -4.77 118.68 124.64 1sbx s LEU 105 Ca 0.18 -1.28 -0.13 0.00 -0.22 0.00 0.00 54.13 52.67 1sbx s LEU 105 Cb -0.15 -1.53 0.11 0.00 0.50 0.00 0.00 46.19 45.12 1sbx s LEU 105 CO 0.08 -0.16 0.69 -0.62 -1.32 0.00 0.00 176.35 175.02 1sbx n GLU 106 N 4.46 -3.27 -0.05 1.98 -0.58 -1.26 -1.31 120.64 120.61 1sbx n GLU 106 Ca -0.15 0.38 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 1sbx n GLU 106 Cb 0.43 -4.95 0.00 0.00 -0.57 0.00 0.00 31.44 26.36 1sbx n GLU 106 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sbx n GLY 107 N -1.59 1.01 3.46 0.62 0.00 -1.26 -4.97 105.19 102.46 1sbx n GLY 107 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1sbx n GLY 107 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sbx s GLU 108 N -0.65 2.57 -0.38 1.61 2.56 -0.43 -5.09 118.70 118.90 1sbx s GLU 108 Ca 0.00 -0.70 -0.25 0.00 0.00 0.00 0.00 54.97 54.01 1sbx s GLU 108 Cb 0.00 -2.39 0.02 0.00 2.00 0.00 0.00 34.13 33.76 1sbx s GLU 108 CO 0.00 0.58 0.90 0.99 -0.56 0.00 0.00 175.26 177.18 1sbx s THR 109 N -0.62 4.59 -0.12 -1.70 2.01 -1.26 -0.24 115.64 118.30 1sbx s THR 109 Ca 0.09 1.07 -0.04 0.00 0.31 0.00 0.00 61.69 63.13 1sbx s THR 109 Cb -0.11 -4.33 -0.03 0.00 0.01 0.00 0.00 72.50 68.03 1sbx s THR 109 CO 0.01 -0.57 0.02 -0.63 -0.69 0.00 0.00 174.62 172.75 1sbx s ILE 110 N 3.47 4.41 0.36 1.82 -1.09 0.27 -4.93 121.20 125.50 1sbx s ILE 110 Ca 0.37 -0.20 -0.25 0.00 -2.23 0.00 0.00 60.65 58.34 1sbx s ILE 110 Cb -0.12 -2.90 -0.09 0.00 -1.58 0.00 0.00 42.46 37.77 1sbx s ILE 110 CO 0.20 0.55 1.01 -0.44 -1.23 0.00 0.00 174.94 175.03 1sbx s SER 111 N -0.38 7.02 0.32 3.58 0.01 -1.26 -1.45 113.70 121.54 1sbx s SER 111 Ca 0.08 1.98 -0.08 0.00 1.31 0.00 0.00 55.95 59.24 1sbx s SER 111 Cb -0.12 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.53 1sbx s SER 111 CO 0.02 -0.30 0.52 0.00 0.41 0.00 0.00 173.24 173.88 1sbx s PHE 113 N -3.26 0.66 -0.21 0.00 0.40 -0.69 -0.98 117.98 113.90 1sbx s PHE 113 Ca 0.26 -0.14 -0.25 0.00 -0.60 0.00 0.00 56.93 56.19 1sbx s PHE 113 Cb -0.01 -0.49 -0.01 0.00 0.51 0.00 0.00 43.02 43.02 1sbx s PHE 113 CO 0.15 -0.07 0.85 0.08 0.70 0.00 0.00 175.22 176.93 1sbx s VAL 114 N 0.21 4.85 -0.05 -0.44 1.01 -1.26 -0.19 120.40 124.52 1sbx s VAL 114 Ca -0.02 1.63 -0.00 0.00 0.00 0.00 0.00 61.98 63.58 1sbx s VAL 114 Cb -0.07 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 32.20 1sbx s VAL 114 CO -0.00 -0.03 -0.01 -0.69 0.00 0.00 0.00 175.10 174.37 1sbx s VAL 115 N 2.54 0.35 -1.63 2.92 1.01 -0.28 -4.82 120.40 120.50 1sbx s VAL 115 Ca 0.37 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1sbx s VAL 115 Cb -0.16 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.76 1sbx s VAL 115 CO 0.10 0.22 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1sbx n GLY 116 N 4.65 -0.15 1.93 4.51 0.00 -1.26 -2.09 105.19 112.79 1sbx n GLY 116 Ca -0.16 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1sbx n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sbx n GLY 117 N -0.98 0.62 2.99 -0.02 0.00 -1.26 -5.03 105.19 101.50 1sbx n GLY 117 Ca -0.22 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 1sbx n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sbx s GLU 118 N -0.11 0.55 0.19 1.61 2.02 -0.89 -5.13 118.70 116.95 1sbx s GLU 118 Ca 0.00 -0.26 -0.30 0.00 0.02 0.00 0.00 54.97 54.43 1sbx s GLU 118 Cb 0.00 -0.53 -0.08 0.00 0.10 0.00 0.00 34.13 33.62 1sbx s GLU 118 CO 0.00 0.14 1.26 0.15 0.02 0.00 0.00 175.26 176.83 1sbx s LYS 119 N -0.21 4.43 -0.28 1.61 1.02 -1.26 -1.12 119.74 123.92 1sbx s LYS 119 Ca 0.02 1.98 -0.04 0.00 0.02 0.00 0.00 55.97 57.95 1sbx s LYS 119 Cb -0.03 -3.21 0.02 0.00 -0.52 0.00 0.00 37.83 34.09 1sbx s LYS 119 CO -0.00 -0.18 0.02 1.03 -0.92 0.00 0.00 175.35 175.30 1sbx s ARG 120 N -0.18 2.87 0.20 1.68 1.81 0.74 -1.19 118.95 124.89 1sbx s ARG 120 Ca 0.55 -0.98 -0.22 0.00 -1.72 0.00 0.00 55.73 53.36 1sbx s ARG 120 Cb -0.35 -3.22 -0.08 0.00 -0.45 0.00 0.00 34.95 30.85 1sbx s ARG 120 CO 0.38 -0.47 0.75 -0.51 -0.68 0.00 0.00 175.30 174.77 1sbx s LEU 121 N 1.40 4.43 -0.30 2.53 1.02 0.12 -1.71 118.68 126.18 1sbx s LEU 121 Ca 0.00 1.52 -0.28 0.00 0.02 0.00 0.00 54.13 55.39 1sbx s LEU 121 Cb -0.18 -3.49 -0.03 0.00 0.02 0.00 0.00 46.19 42.51 1sbx s LEU 121 CO -0.00 0.10 1.99 0.00 0.02 0.00 0.00 176.35 178.46 1sbx h LEU 123 N 14.55 -0.07 -0.97 0.00 5.85 -1.60 -2.83 115.31 130.24 1sbx h LEU 123 Ca -0.36 0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.52 1sbx h LEU 123 Cb 1.20 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 42.17 1sbx h LEU 123 CO 1.01 -0.04 0.59 -0.65 -0.34 0.00 0.00 178.44 179.01 1sbx h PRO 124 N -0.04 0.82 -0.87 5.25 0.11 -1.90 -0.28 132.00 135.08 1sbx h PRO 124 Ca 0.01 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.09 1sbx h PRO 124 Cb 0.06 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 30.94 1sbx h PRO 124 CO -0.03 0.54 0.57 0.37 -0.21 0.00 0.00 178.00 179.24 1sbx h GLN 125 N 0.84 1.12 -0.12 1.05 4.15 -1.87 -0.08 115.11 120.20 1sbx h GLN 125 Ca 0.52 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.85 1sbx h GLN 125 Cb 0.66 -0.25 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 1sbx h GLN 125 CO -0.32 0.74 -0.02 0.82 -1.93 0.00 0.00 178.83 178.11 1sbx h ILE 126 N 1.15 1.28 0.00 2.39 2.04 -0.93 -2.52 117.51 120.92 1sbx h ILE 126 Ca 0.33 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 65.26 1sbx h ILE 126 Cb -0.09 1.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1sbx h ILE 126 CO -0.09 0.27 -0.02 -0.07 0.00 0.00 0.00 178.15 178.24 1sbx h LEU 127 N -0.08 0.00 -1.34 1.44 3.38 -0.78 -1.89 115.31 116.04 1sbx h LEU 127 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1sbx h LEU 127 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1sbx h LEU 127 CO 0.01 0.02 0.00 0.59 0.09 0.00 0.00 178.44 179.15 1sbx n ASN 128 N -4.39 2.09 0.00 -0.43 3.02 -0.07 -2.86 115.26 112.61 1sbx n ASN 128 Ca -0.03 -1.70 0.00 0.00 -0.03 0.00 0.00 54.58 52.82 1sbx n ASN 128 Cb 0.10 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 1sbx n ASN 128 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1sbx n SER 129 N 0.64 0.00 -0.25 6.41 3.41 -0.76 -4.66 113.62 118.39 1sbx n SER 129 Ca 0.17 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.90 1sbx n SER 129 Cb 0.45 0.00 0.38 0.00 -0.26 0.00 0.00 64.21 64.79 1sbx n SER 129 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1sbx h VAL 130 N 0.00 0.85 -0.27 -3.33 2.07 -1.74 -2.22 116.25 111.60 1sbx h VAL 130 Ca 0.00 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 1sbx h VAL 130 Cb 0.00 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 29.85 1sbx h VAL 130 CO 0.00 0.12 -0.01 0.18 0.02 0.00 0.00 177.57 177.88 1sbx n LEU 131 N -4.54 3.87 -0.28 2.57 4.77 -0.87 -4.75 117.00 117.77 1sbx n LEU 131 Ca 0.16 -3.22 0.13 0.00 -0.03 0.00 0.00 56.01 53.06 1sbx n LEU 131 Cb 0.45 -0.56 0.39 0.00 -2.33 0.00 0.00 43.42 41.37 1sbx n LEU 131 CO 0.30 0.82 1.22 -0.09 -1.33 0.00 0.00 177.39 178.31 1sbx h ARG 132 N 1.46 0.64 -0.28 3.23 9.65 -1.25 -1.87 114.38 125.96 1sbx h ARG 132 Ca 0.06 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1sbx h ARG 132 Cb 1.49 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.92 1sbx h ARG 132 CO 0.26 0.42 0.00 -0.25 2.80 0.00 0.00 179.97 183.20 1sbx n ASP 133 N -4.58 1.72 -4.76 -3.80 8.00 -1.26 -4.86 116.55 107.00 1sbx n ASP 133 Ca 0.19 -1.89 -0.36 0.00 0.71 0.00 0.00 54.79 53.43 1sbx n ASP 133 Cb 0.52 -0.18 -0.08 0.00 -0.02 0.00 0.00 41.12 41.36 1sbx n ASP 133 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1sbx s PHE 134 N -1.64 3.34 0.55 1.24 0.08 -0.71 -5.09 117.98 115.76 1sbx s PHE 134 Ca 0.26 0.33 -0.20 0.00 0.12 0.00 0.00 56.93 57.44 1sbx s PHE 134 Cb 0.14 -1.85 -0.05 0.00 -0.57 0.00 0.00 43.02 40.68 1sbx s PHE 134 CO 0.19 0.57 1.16 -1.54 -0.10 0.00 0.00 175.22 175.50 1sbx s SER 135 N -0.92 5.62 0.44 1.36 1.04 -1.26 -4.88 113.70 115.09 1sbx s SER 135 Ca 0.14 2.25 0.19 0.00 0.48 0.00 0.00 55.95 59.00 1sbx s SER 135 Cb -0.12 -2.59 1.02 0.00 0.10 0.00 0.00 66.02 64.44 1sbx s SER 135 CO 0.03 -1.29 1.94 -0.07 0.98 0.00 0.00 173.24 174.82 1sbx h LEU 136 N 1.19 0.00 -0.35 2.42 3.38 -1.98 -1.42 115.31 118.56 1sbx h LEU 136 Ca -0.50 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.43 1sbx h LEU 136 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1sbx h LEU 136 CO 0.57 0.24 0.08 -0.61 0.09 0.00 0.00 178.44 178.81 1sbx h GLN 137 N 0.00 0.56 -0.28 1.13 4.15 -1.99 0.19 115.11 118.88 1sbx h GLN 137 Ca -0.00 -0.14 -0.12 0.00 0.77 0.00 0.00 58.65 59.16 1sbx h GLN 137 Cb 0.50 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.11 1sbx h GLN 137 CO 0.03 0.62 -0.28 0.37 -1.93 0.00 0.00 178.83 177.64 1sbx h GLN 138 N 0.41 0.68 -0.21 1.69 4.15 -1.85 -0.90 115.11 119.08 1sbx h GLN 138 Ca 0.11 -0.36 0.02 0.00 0.77 0.00 0.00 58.65 59.18 1sbx h GLN 138 Cb 0.32 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 1sbx h GLN 138 CO 0.00 0.97 0.09 0.82 -1.93 0.00 0.00 178.83 178.79 1sbx h ILE 139 N 0.42 0.98 -0.53 2.39 2.04 -1.19 -0.88 117.51 120.74 1sbx h ILE 139 Ca 0.04 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 1sbx h ILE 139 Cb 0.85 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1sbx h ILE 139 CO 0.07 0.04 0.32 -1.13 0.00 0.00 0.00 178.15 177.44 1sbx h ASN 140 N 0.20 0.63 -0.63 1.72 -1.24 -0.92 -0.62 115.58 114.73 1sbx h ASN 140 Ca 0.09 -0.06 0.02 0.00 0.71 0.00 0.00 56.30 57.06 1sbx h ASN 140 Cb 0.04 -0.16 -0.04 0.00 0.73 0.00 0.00 38.32 38.89 1sbx h ASN 140 CO -0.07 0.51 0.40 0.00 -1.29 0.00 0.00 177.43 176.97 1sbx h ALA 141 N 1.15 0.82 -0.16 1.57 0.00 -0.73 -1.47 119.26 120.44 1sbx h ALA 141 Ca 0.19 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 1sbx h ALA 141 Cb -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1sbx h ALA 141 CO -0.04 0.16 -0.54 0.28 0.00 0.00 0.00 179.25 179.11 1sbx h VAL 142 N 0.78 1.33 -0.56 0.00 2.07 -0.91 -2.47 116.25 116.49 1sbx h VAL 142 Ca 0.25 -1.80 -0.00 0.00 0.82 0.00 0.00 66.70 65.97 1sbx h VAL 142 Cb -0.00 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1sbx h VAL 142 CO -0.09 0.55 0.33 0.00 0.02 0.00 0.00 177.57 178.38 1sbx h ASP 144 N 0.75 0.55 -0.12 0.00 3.45 -1.17 -0.19 116.42 119.69 1sbx h ASP 144 Ca 0.20 -0.07 -0.03 0.00 0.43 0.00 0.00 57.03 57.56 1sbx h ASP 144 Cb -0.00 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 38.61 1sbx h ASP 144 CO -0.04 0.46 -0.01 -0.08 -1.57 0.00 0.00 179.24 178.01 1sbx h GLU 145 N 0.60 0.32 -0.21 3.56 4.57 -1.07 -1.34 114.58 121.02 1sbx h GLU 145 Ca 0.16 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1sbx h GLU 145 Cb 0.02 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 1sbx h GLU 145 CO -0.03 0.36 0.00 1.28 -1.18 0.00 0.00 179.01 179.44 1sbx n LEU 146 N -4.35 1.74 -3.83 1.64 4.77 -0.36 -4.93 117.00 111.68 1sbx n LEU 146 Ca 0.00 -0.76 -0.27 0.00 -0.03 0.00 0.00 56.01 54.95 1sbx n LEU 146 Cb 0.20 -0.14 0.03 0.00 -2.33 0.00 0.00 43.42 41.18 1sbx n LEU 146 CO 0.37 0.38 0.05 1.41 -1.33 0.00 0.00 177.39 178.27 1sbx n HIS 147 N 0.38 -2.18 -3.16 -1.77 8.25 -0.51 -4.93 115.22 111.30 1sbx n HIS 147 Ca 0.15 0.89 -0.40 0.00 -0.26 0.00 0.00 57.72 58.10 1sbx n HIS 147 Cb 0.33 -4.16 -0.07 0.00 1.12 0.00 0.00 29.99 27.21 1sbx n HIS 147 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1sbx s ILE 148 N -3.44 5.03 -0.23 1.59 1.01 -0.18 -5.04 121.20 119.94 1sbx s ILE 148 Ca 0.42 1.06 -0.09 0.00 0.00 0.00 0.00 60.65 62.04 1sbx s ILE 148 Cb -0.21 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.31 1sbx s ILE 148 CO 0.82 0.07 0.13 -0.47 0.00 0.00 0.00 174.94 175.49 1sbx s TYR 149 N 2.24 3.27 -0.33 3.97 6.14 -1.26 -4.72 117.35 126.67 1sbx s TYR 149 Ca 0.25 0.10 -0.15 0.00 0.64 0.00 0.00 57.07 57.92 1sbx s TYR 149 Cb -0.16 -2.22 -0.02 0.00 0.42 0.00 0.00 41.96 39.98 1sbx s TYR 149 CO 0.09 0.02 0.35 0.00 0.64 0.00 0.00 175.55 176.66 1sbx s SER 151 N 1.72 4.20 -0.08 0.00 1.04 -0.06 -4.78 113.70 115.74 1sbx s SER 151 Ca 0.12 0.33 0.01 0.00 0.48 0.00 0.00 55.95 56.89 1sbx s SER 151 Cb -0.16 -0.73 -0.03 0.00 0.10 0.00 0.00 66.02 65.19 1sbx s SER 151 CO 0.11 -2.02 -0.08 -0.60 0.98 0.00 0.00 173.24 171.64 1sbx s ARG 152 N -5.47 2.82 0.37 4.02 3.52 -1.26 0.06 118.95 123.01 1sbx s ARG 152 Ca 0.65 -0.56 -0.28 0.00 -0.13 0.00 0.00 55.73 55.41 1sbx s ARG 152 Cb -0.08 -2.60 -0.10 0.00 -1.56 0.00 0.00 34.95 30.61 1sbx s ARG 152 CO 0.48 0.61 1.43 0.00 -0.81 0.00 0.00 175.30 177.00 1sbx s THR 154 N -1.14 2.02 0.32 0.00 -4.23 -1.26 -4.75 115.64 106.60 1sbx s THR 154 Ca 0.53 0.01 0.04 0.00 -1.18 0.00 0.00 61.69 61.08 1sbx s THR 154 Cb -0.44 -2.97 0.29 0.00 1.34 0.00 0.00 72.50 70.72 1sbx s THR 154 CO 0.59 -0.01 1.90 0.00 -0.54 0.00 0.00 174.62 176.57 1sbx h ALA 155 N -1.12 1.62 -0.33 3.99 0.00 -1.99 -0.16 119.26 121.27 1sbx h ALA 155 Ca -0.47 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 1sbx h ALA 155 Cb 1.33 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1sbx h ALA 155 CO 0.65 0.20 -0.10 -0.44 0.00 0.00 0.00 179.25 179.57 1sbx h ASP 156 N 0.89 0.66 -0.60 0.00 5.19 -1.91 -1.97 116.42 118.68 1sbx h ASP 156 Ca 0.40 -0.38 -0.10 0.00 -0.62 0.00 0.00 57.03 56.34 1sbx h ASP 156 Cb 0.37 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.68 1sbx h ASP 156 CO -0.17 0.89 -0.00 1.56 -3.12 0.00 0.00 179.24 178.40 1sbx h GLN 157 N 0.43 1.06 -0.50 3.56 4.20 -1.66 -1.48 115.11 120.72 1sbx h GLN 157 Ca 0.08 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.44 1sbx h GLN 157 Cb 0.61 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 1sbx h GLN 157 CO 0.04 1.04 0.28 1.25 -0.67 0.00 0.00 178.83 180.77 1sbx h LEU 158 N 0.96 0.62 -0.29 1.46 5.85 -0.99 -1.81 115.31 121.10 1sbx h LEU 158 Ca 0.17 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1sbx h LEU 158 Cb 0.56 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1sbx h LEU 158 CO 0.03 0.52 0.18 -0.08 -0.34 0.00 0.00 178.44 178.74 1sbx h GLU 159 N 0.67 0.40 -0.62 1.25 4.57 -1.14 -1.90 114.58 117.80 1sbx h GLU 159 Ca 0.18 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.34 1sbx h GLU 159 Cb 0.03 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.50 1sbx h GLU 159 CO -0.03 0.31 0.39 0.82 -1.18 0.00 0.00 179.01 179.32 1sbx h ILE 160 N 0.38 1.11 -0.25 2.32 2.04 -1.03 -0.28 117.51 121.78 1sbx h ILE 160 Ca 0.11 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 1sbx h ILE 160 Cb 0.01 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 1sbx h ILE 160 CO -0.02 0.14 -0.03 -0.07 0.00 0.00 0.00 178.15 178.17 1sbx h LEU 161 N 0.78 0.36 -0.22 1.44 3.38 -1.12 -2.55 115.31 117.38 1sbx h LEU 161 Ca 0.24 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 1sbx h LEU 161 Cb -0.02 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1sbx h LEU 161 CO -0.08 0.45 -0.28 0.11 0.09 0.00 0.00 178.44 178.73 1sbx h LYS 162 N 0.37 0.57 -1.95 1.13 1.57 -0.52 -0.91 116.57 116.83 1sbx h LYS 162 Ca 0.08 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1sbx h LYS 162 Cb 0.30 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1sbx h LYS 162 CO 0.01 0.92 0.00 0.28 -0.57 0.00 0.00 179.45 180.09 1sbx n VAL 163 N -4.35 0.14 -1.99 0.50 0.31 -0.20 -4.42 118.33 108.34 1sbx n VAL 163 Ca -0.05 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1sbx n VAL 163 Cb 0.46 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 1sbx n VAL 163 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sbx n GLY 165 N 1.44 0.94 0.11 2.92 0.00 -1.02 -5.10 105.19 104.48 1sbx n GLY 165 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1sbx n GLY 165 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1sbx h ILE 166 N 4.09 1.51 -4.02 -0.61 1.08 -1.38 -3.45 117.51 114.72 1sbx h ILE 166 Ca 0.00 -2.92 -0.52 0.00 -0.39 0.00 0.00 64.86 61.04 1sbx h ILE 166 Cb 1.01 2.75 -0.23 0.00 -3.07 0.00 0.00 36.82 37.27 1sbx h ILE 166 CO 0.00 0.85 -0.82 -0.76 -0.69 0.00 0.00 178.15 176.74 1sbx s LEU 167 N -7.25 2.23 0.70 1.44 1.43 -1.18 -4.94 118.68 111.12 1sbx s LEU 167 Ca -0.03 -0.58 -0.15 0.00 -1.03 0.00 0.00 54.13 52.33 1sbx s LEU 167 Cb 0.08 -0.79 0.02 0.00 0.03 0.00 0.00 46.19 45.54 1sbx s LEU 167 CO 0.86 0.06 1.17 -2.16 0.23 0.00 0.00 176.35 176.51 1sbx s PRO 168 N -1.52 2.39 0.57 1.29 0.04 -1.26 -4.42 135.00 132.10 1sbx s PRO 168 Ca 0.04 1.63 0.38 0.00 0.04 0.00 0.00 61.00 63.10 1sbx s PRO 168 Cb -0.09 -1.88 2.06 0.00 0.04 0.00 0.00 34.50 34.63 1sbx s PRO 168 CO 0.03 -1.61 2.18 0.74 0.04 0.00 0.00 177.00 178.37 1sbx h PHE 169 N -0.14 0.00 -0.09 0.56 -1.00 -1.98 -1.72 116.94 112.57 1sbx h PHE 169 Ca -0.47 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.31 1sbx h PHE 169 Cb 1.28 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.84 1sbx h PHE 169 CO 0.50 0.00 0.00 -1.13 -1.61 0.00 0.00 178.31 176.07 1sbx n SER 170 N -2.87 1.99 -4.68 2.17 3.41 -1.26 -4.94 113.62 107.44 1sbx n SER 170 Ca -0.02 -1.69 -0.46 0.00 -0.26 0.00 0.00 58.87 56.44 1sbx n SER 170 Cb 0.08 -0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 63.94 1sbx n SER 170 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sbx n ALA 171 N 0.55 1.46 0.11 7.33 0.00 -0.65 -4.88 120.51 124.43 1sbx n ALA 171 Ca 0.17 0.39 -0.03 0.00 0.00 0.00 0.00 53.44 53.97 1sbx n ALA 171 Cb 0.41 -2.43 0.05 0.00 0.00 0.00 0.00 19.45 17.48 1sbx n ALA 171 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1sbx h PRO 172 N 7.12 0.00 -2.62 0.00 0.13 -1.92 -3.48 132.00 131.23 1sbx h PRO 172 Ca -0.46 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.80 1sbx h PRO 172 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 1sbx h PRO 172 CO 0.92 0.77 0.53 -1.54 -0.23 0.00 0.00 178.00 178.44 1sbx s SER 173 N -6.76 0.00 -0.28 1.44 1.04 -1.26 -5.16 113.70 102.72 1sbx s SER 173 Ca -0.00 -0.76 -0.16 0.00 0.48 0.00 0.00 55.95 55.51 1sbx s SER 173 Cb 0.11 0.56 0.10 0.00 0.10 0.00 0.00 66.02 66.89 1sbx s SER 173 CO 0.78 -1.12 0.77 0.00 0.98 0.00 0.00 173.24 174.65 1sbx s GLY 175 N 1.52 1.55 0.03 0.00 0.00 -1.26 -0.03 107.32 109.13 1sbx s GLY 175 Ca -0.09 -0.51 0.03 0.00 0.00 0.00 0.00 44.72 44.15 1sbx s GLY 175 CO -0.18 -0.30 -0.09 1.08 0.00 0.00 0.00 173.10 173.61 1sbx s LEU 176 N -4.87 2.17 -0.01 0.66 1.43 0.11 -1.47 118.68 116.69 1sbx s LEU 176 Ca 0.50 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 53.22 1sbx s LEU 176 Cb -0.10 -0.34 0.00 0.00 0.03 0.00 0.00 46.19 45.78 1sbx s LEU 176 CO 0.46 -0.06 -0.06 -0.51 0.23 0.00 0.00 176.35 176.41 1sbx s ILE 177 N -0.88 0.51 0.69 -0.59 2.07 -0.62 -0.88 121.20 121.49 1sbx s ILE 177 Ca -0.03 -0.24 -0.16 0.00 -1.41 0.00 0.00 60.65 58.81 1sbx s ILE 177 Cb -0.07 -0.46 0.02 0.00 0.13 0.00 0.00 42.46 42.08 1sbx s ILE 177 CO 0.01 0.16 1.20 0.42 -1.91 0.00 0.00 174.94 174.82 1sbx s THR 178 N 0.07 2.49 0.17 4.00 -4.23 -1.26 0.16 115.64 117.03 1sbx s THR 178 Ca -0.00 0.25 -0.15 0.00 -1.18 0.00 0.00 61.69 60.61 1sbx s THR 178 Cb -0.05 -2.88 0.08 0.00 1.34 0.00 0.00 72.50 70.98 1sbx s THR 178 CO -0.00 -0.11 1.71 0.50 -0.54 0.00 0.00 174.62 176.18 1sbx h LYS 179 N 0.05 0.17 -0.69 3.99 3.64 -1.51 0.26 116.57 122.48 1sbx h LYS 179 Ca -0.48 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 1sbx h LYS 179 Cb 1.29 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.04 1sbx h LYS 179 CO 0.52 0.11 0.33 0.00 -2.27 0.00 0.00 179.45 178.14 1sbx h THR 180 N 0.17 1.23 -0.53 1.00 1.03 -1.91 -0.69 112.91 113.21 1sbx h THR 180 Ca 0.21 -0.63 -0.05 0.00 -0.01 0.00 0.00 66.41 65.93 1sbx h THR 180 Cb 0.27 0.38 -0.02 0.00 -1.07 0.00 0.00 68.15 67.71 1sbx h THR 180 CO -0.30 0.26 0.14 0.44 -0.01 0.00 0.00 175.52 176.05 1sbx h ASP 181 N 0.95 0.79 -0.67 0.00 3.32 -1.80 -1.99 116.42 117.03 1sbx h ASP 181 Ca 0.24 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1sbx h ASP 181 Cb 0.11 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1sbx h ASP 181 CO -0.03 0.81 0.33 0.00 -1.72 0.00 0.00 179.24 178.63 1sbx h ALA 182 N 1.01 0.86 -0.68 3.45 0.00 -0.65 0.24 119.26 123.50 1sbx h ALA 182 Ca 0.17 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1sbx h ALA 182 Cb 0.32 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1sbx h ALA 182 CO -0.00 0.41 0.23 0.93 0.00 0.00 0.00 179.25 180.82 1sbx h GLU 183 N 0.93 1.04 -0.27 0.00 5.08 -0.95 -0.93 114.58 119.47 1sbx h GLU 183 Ca 0.23 -0.21 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 1sbx h GLU 183 Cb 0.10 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1sbx h GLU 183 CO -0.03 0.89 -0.49 0.00 -1.00 0.00 0.00 179.01 178.38 1sbx h ARG 184 N 0.98 0.74 -0.18 2.33 3.08 -1.07 -1.17 114.38 119.09 1sbx h ARG 184 Ca 0.22 -0.43 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 1sbx h ARG 184 Cb 0.27 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1sbx h ARG 184 CO -0.01 1.06 0.08 1.25 -1.07 0.00 0.00 179.97 181.27 1sbx h LEU 185 N 0.58 0.25 -0.90 3.04 5.85 -0.76 -0.26 115.31 123.11 1sbx h LEU 185 Ca 0.03 -0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.51 1sbx h LEU 185 Cb 1.05 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1sbx h LEU 185 CO 0.10 0.33 -0.10 0.00 -0.34 0.00 0.00 178.44 178.43 1sbx h ASN 187 N 0.64 0.65 -0.48 0.00 -0.73 -0.99 0.21 115.58 114.88 1sbx h ASN 187 Ca 0.11 -0.27 -0.05 0.00 1.87 0.00 0.00 56.30 57.97 1sbx h ASN 187 Cb 0.55 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.94 1sbx h ASN 187 CO 0.03 0.75 0.13 0.00 -0.37 0.00 0.00 177.43 177.98 1sbx h ALA 188 N 0.92 1.23 0.05 1.57 0.00 -0.79 -1.74 119.26 120.50 1sbx h ALA 188 Ca 0.12 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1sbx h ALA 188 Cb 0.39 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1sbx h ALA 188 CO 0.01 0.53 -0.72 -0.07 0.00 0.00 0.00 179.25 179.00 1sbx h LEU 189 N 0.79 0.17 -0.23 0.00 3.38 -1.16 -3.40 115.31 114.88 1sbx h LEU 189 Ca 0.18 -0.86 -0.21 0.00 0.09 0.00 0.00 57.88 57.07 1sbx h LEU 189 Cb 0.28 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.98 1sbx h LEU 189 CO -0.00 1.31 -0.76 -0.07 0.09 0.00 0.00 178.44 179.01 1sbx h LEU 190 N -0.73 0.84 -8.81 1.67 3.38 -0.65 -3.45 115.31 107.56 1sbx h LEU 190 Ca -0.16 -0.54 -0.68 0.00 0.09 0.00 0.00 57.88 56.58 1sbx h LEU 190 Cb 1.35 -0.25 -0.24 0.00 0.09 0.00 0.00 40.66 41.62 1sbx h LEU 190 CO -0.00 1.33 -0.87 -0.31 0.09 0.00 0.00 178.44 178.68 1sbx s TYR 191 N -3.73 2.26 0.00 1.13 1.51 -0.65 -5.07 117.35 112.79 1sbx s TYR 191 Ca -0.09 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.57 1sbx s TYR 191 Cb 0.09 -1.28 0.00 0.00 -0.11 0.00 0.00 41.96 40.66 1sbx s TYR 191 CO 0.89 0.23 0.00 0.41 -1.11 0.00 0.00 175.55 175.97