#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bs9 s PHE 95 N 0.00 3.15 -0.03 1.57 0.08 -0.06 -4.96 117.98 117.73 3bs9 s PHE 95 Ca 0.00 -1.75 -0.17 0.00 0.12 0.00 0.00 56.93 55.14 3bs9 s PHE 95 Cb 0.00 -2.06 -0.05 0.00 -0.57 0.00 0.00 43.02 40.34 3bs9 s PHE 95 CO 0.00 -0.77 0.46 -1.01 -0.10 0.00 0.00 175.22 173.79 3bs9 s HIS 96 N 1.28 3.66 -0.13 0.36 3.76 -1.26 -0.80 115.29 122.16 3bs9 s HIS 96 Ca -0.03 1.00 0.01 0.00 -0.15 0.00 0.00 55.06 55.89 3bs9 s HIS 96 Cb -0.18 -2.42 -0.01 0.00 1.11 0.00 0.00 32.58 31.09 3bs9 s HIS 96 CO -0.03 0.46 -0.16 0.08 -0.85 0.00 0.00 174.74 174.24 3bs9 s VAL 97 N -0.47 2.70 -0.02 -0.90 1.01 0.11 -0.97 120.40 121.86 3bs9 s VAL 97 Ca 0.25 -0.78 -0.20 0.00 0.00 0.00 0.00 61.98 61.26 3bs9 s VAL 97 Cb -0.17 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 3bs9 s VAL 97 CO 0.13 0.53 0.57 0.12 0.00 0.00 0.00 175.10 176.45 3bs9 s PHE 98 N 0.52 3.66 -0.21 5.22 5.36 0.94 -0.71 117.98 132.76 3bs9 s PHE 98 Ca -0.10 1.15 0.01 0.00 -0.96 0.00 0.00 56.93 57.03 3bs9 s PHE 98 Cb -0.16 -2.59 0.04 0.00 -0.34 0.00 0.00 43.02 39.97 3bs9 s PHE 98 CO 0.04 0.34 -0.12 0.08 -1.46 0.00 0.00 175.22 174.10 3bs9 s VAL 99 N -0.11 1.84 0.40 3.12 1.01 -0.28 -2.31 120.40 124.08 3bs9 s VAL 99 Ca 0.30 -1.17 0.08 0.00 0.00 0.00 0.00 61.98 61.19 3bs9 s VAL 99 Cb -0.18 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3bs9 s VAL 99 CO 0.16 0.17 0.23 -0.83 0.00 0.00 0.00 175.10 174.83 3bs9 s GLY 100 N 1.30 2.19 -1.26 4.51 0.00 0.18 -0.62 107.32 113.62 3bs9 s GLY 100 Ca -0.02 -1.98 -0.04 0.00 0.00 0.00 0.00 44.72 42.67 3bs9 s GLY 100 CO -0.08 -1.82 1.07 1.22 0.00 0.00 0.00 173.10 173.50 3bs9 n ASP 101 N -1.31 -4.18 -4.69 1.64 9.92 -0.90 -1.18 116.55 115.84 3bs9 n ASP 101 Ca -0.00 -0.57 -0.41 0.00 -0.53 0.00 0.00 54.79 53.28 3bs9 n ASP 101 Cb 0.63 -5.00 -0.04 0.00 -0.64 0.00 0.00 41.12 36.07 3bs9 n ASP 101 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3bs9 s LEU 102 N -6.74 4.25 0.80 0.64 1.43 0.55 -4.51 118.68 115.10 3bs9 s LEU 102 Ca 0.29 1.22 -0.14 0.00 -1.03 0.00 0.00 54.13 54.47 3bs9 s LEU 102 Cb -0.13 -3.19 0.08 0.00 0.03 0.00 0.00 46.19 42.98 3bs9 s LEU 102 CO 0.72 -0.26 1.22 -1.54 0.23 0.00 0.00 176.35 176.71 3bs9 n SER 103 N 4.47 1.12 0.16 2.29 3.41 -1.26 -4.32 113.62 119.49 3bs9 n SER 103 Ca 0.02 0.60 0.18 0.00 -0.26 0.00 0.00 58.87 59.42 3bs9 n SER 103 Cb 0.50 -1.52 0.79 0.00 -0.26 0.00 0.00 64.21 63.73 3bs9 n SER 103 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3bs9 h PRO 104 N -0.83 0.00 -0.00 4.33 0.11 -1.92 -2.36 132.00 131.33 3bs9 h PRO 104 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3bs9 h PRO 104 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3bs9 h PRO 104 CO 0.46 0.00 -0.21 -0.85 -0.21 0.00 0.00 178.00 177.20 3bs9 n GLU 105 N -3.75 0.53 -2.28 1.05 0.00 -1.26 -4.62 120.64 110.31 3bs9 n GLU 105 Ca 0.04 -0.23 -0.42 0.00 0.00 0.00 0.00 57.16 56.54 3bs9 n GLU 105 Cb 0.45 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.36 3bs9 n GLU 105 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3bs9 s ILE 106 N -2.63 3.95 0.40 3.84 -1.09 -0.89 -5.02 121.20 119.76 3bs9 s ILE 106 Ca 0.23 1.23 0.08 0.00 -2.23 0.00 0.00 60.65 59.96 3bs9 s ILE 106 Cb 0.19 -3.80 -0.01 0.00 -1.58 0.00 0.00 42.46 37.27 3bs9 s ILE 106 CO 0.53 -0.06 0.44 0.42 -1.23 0.00 0.00 174.94 175.05 3bs9 s THR 107 N 3.06 3.02 0.37 2.92 -4.23 -1.26 -4.98 115.64 114.54 3bs9 s THR 107 Ca 0.62 -1.20 0.06 0.00 -1.18 0.00 0.00 61.69 59.99 3bs9 s THR 107 Cb -0.28 -3.06 0.20 0.00 1.34 0.00 0.00 72.50 70.70 3bs9 s THR 107 CO 0.22 -0.04 1.95 0.71 -0.54 0.00 0.00 174.62 176.93 3bs9 h THR 108 N 0.91 1.16 -0.31 3.99 1.35 -1.92 -1.26 112.91 116.83 3bs9 h THR 108 Ca -0.42 -0.55 -0.09 0.00 -0.55 0.00 0.00 66.41 64.81 3bs9 h THR 108 Cb 1.27 0.79 -0.02 0.00 -1.73 0.00 0.00 68.15 68.46 3bs9 h THR 108 CO 0.53 0.20 -0.17 0.00 -0.25 0.00 0.00 175.52 175.83 3bs9 h ALA 109 N 1.61 1.13 -0.53 6.62 0.00 -1.95 -0.01 119.26 126.12 3bs9 h ALA 109 Ca 0.12 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3bs9 h ALA 109 Cb 0.18 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3bs9 h ALA 109 CO -0.01 0.54 0.11 0.00 0.00 0.00 0.00 179.25 179.90 3bs9 h ALA 110 N 1.32 1.19 -0.15 0.00 0.00 -1.64 -0.32 119.26 119.66 3bs9 h ALA 110 Ca 0.09 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3bs9 h ALA 110 Cb 0.58 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3bs9 h ALA 110 CO 0.04 0.55 -0.12 0.82 0.00 0.00 0.00 179.25 180.54 3bs9 h ILE 111 N 0.80 1.33 -0.61 0.00 2.04 -0.75 -2.51 117.51 117.81 3bs9 h ILE 111 Ca 0.17 -1.24 0.08 0.00 1.00 0.00 0.00 64.86 64.87 3bs9 h ILE 111 Cb 0.32 1.81 -0.06 0.00 -0.74 0.00 0.00 36.82 38.16 3bs9 h ILE 111 CO 0.00 0.36 0.28 0.00 0.00 0.00 0.00 178.15 178.79 3bs9 h ALA 112 N 0.63 0.80 -0.98 1.87 0.00 -0.66 -0.20 119.26 120.72 3bs9 h ALA 112 Ca 0.03 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.04 3bs9 h ALA 112 Cb 0.63 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 3bs9 h ALA 112 CO 0.03 -0.11 0.64 0.00 0.00 0.00 0.00 179.25 179.81 3bs9 h ALA 113 N 1.38 1.39 0.00 0.00 0.00 -0.96 0.43 119.26 121.50 3bs9 h ALA 113 Ca 0.29 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 3bs9 h ALA 113 Cb 0.29 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3bs9 h ALA 113 CO -0.25 0.49 -0.75 0.00 0.00 0.00 0.00 179.25 178.74 3bs9 h ALA 114 N 1.45 0.62 0.00 0.00 0.00 -0.92 -3.37 119.26 117.04 3bs9 h ALA 114 Ca 0.41 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3bs9 h ALA 114 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3bs9 h ALA 114 CO -0.14 0.78 -1.73 1.19 0.00 0.00 0.00 179.25 179.35 3bs9 n PHE 115 N -3.18 0.00 0.11 0.00 3.72 -0.16 -4.50 117.46 113.45 3bs9 n PHE 115 Ca -0.01 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 3bs9 n PHE 115 Cb 0.79 -0.37 0.63 0.00 -0.94 0.00 0.00 39.48 39.58 3bs9 n PHE 115 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3bs9 h ALA 116 N 2.08 2.16 0.00 4.37 0.00 -0.32 -2.38 119.26 125.17 3bs9 h ALA 116 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3bs9 h ALA 116 Cb 0.84 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3bs9 h ALA 116 CO 0.00 -0.22 -0.03 -1.35 0.00 0.00 0.00 179.25 177.64 3bs9 h PRO 117 N 0.08 0.00 0.00 0.00 0.11 -1.81 -2.58 132.00 127.81 3bs9 h PRO 117 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3bs9 h PRO 117 Cb 0.41 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.52 3bs9 h PRO 117 CO -0.01 0.03 0.00 0.74 -0.21 0.00 0.00 178.00 178.55 3bs9 h PHE 118 N 0.00 0.00 0.00 0.65 -1.00 -1.75 -3.49 116.94 111.36 3bs9 h PHE 118 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3bs9 h PHE 118 Cb 0.09 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.65 3bs9 h PHE 118 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 3bs9 n GLY 119 N 0.70 0.24 3.67 -1.45 0.00 -0.97 -4.67 105.19 102.71 3bs9 n GLY 119 Ca 0.03 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 3bs9 n GLY 119 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3bs9 s ARG 120 N -1.93 4.17 -0.15 1.61 3.52 -1.26 -4.67 118.95 120.24 3bs9 s ARG 120 Ca 0.00 2.42 -0.03 0.00 -0.13 0.00 0.00 55.73 57.99 3bs9 s ARG 120 Cb 0.00 -3.91 -0.03 0.00 -1.56 0.00 0.00 34.95 29.45 3bs9 s ARG 120 CO 0.00 -0.86 -0.03 0.42 -0.81 0.00 0.00 175.30 174.02 3bs9 s ILE 121 N 3.70 3.92 0.00 4.11 1.01 -1.26 -2.15 121.20 130.53 3bs9 s ILE 121 Ca 0.80 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.10 3bs9 s ILE 121 Cb -0.40 -2.71 0.00 0.00 0.01 0.00 0.00 42.46 39.36 3bs9 s ILE 121 CO 0.35 0.50 0.00 -1.54 0.00 0.00 0.00 174.94 174.26 3bs9 n SER 122 N 3.41 0.00 -4.45 3.58 3.41 0.67 -4.95 113.62 115.29 3bs9 n SER 122 Ca -0.17 0.33 -0.23 0.00 -0.26 0.00 0.00 58.87 58.53 3bs9 n SER 122 Cb 0.53 -0.37 -0.10 0.00 -0.26 0.00 0.00 64.21 64.00 3bs9 n SER 122 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3bs9 s ASP 123 N -2.57 3.43 -0.04 4.04 2.15 -1.25 -4.98 116.67 117.46 3bs9 s ASP 123 Ca 0.00 -1.02 -0.08 0.00 0.43 0.00 0.00 52.55 51.88 3bs9 s ASP 123 Cb 0.00 -0.27 0.01 0.00 -0.30 0.00 0.00 42.92 42.36 3bs9 s ASP 123 CO 0.00 0.01 0.18 0.00 -0.17 0.00 0.00 175.17 175.19 3bs9 s ALA 124 N -2.56 -0.45 -0.01 3.66 0.00 -1.26 0.01 121.76 121.14 3bs9 s ALA 124 Ca 0.29 0.27 -0.12 0.00 0.00 0.00 0.00 51.96 52.39 3bs9 s ALA 124 Cb -0.04 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.97 3bs9 s ALA 124 CO 0.14 -0.15 0.25 0.50 0.00 0.00 0.00 175.76 176.50 3bs9 s ARG 125 N -0.60 0.61 -0.18 0.00 3.52 -0.04 -4.95 118.95 117.31 3bs9 s ARG 125 Ca -0.07 -0.25 0.01 0.00 -0.13 0.00 0.00 55.73 55.29 3bs9 s ARG 125 Cb -0.04 0.26 0.04 0.00 -1.56 0.00 0.00 34.95 33.65 3bs9 s ARG 125 CO 0.01 -0.16 -0.11 0.08 -0.81 0.00 0.00 175.30 174.31 3bs9 s VAL 126 N -1.33 1.56 0.03 7.11 1.01 -1.26 -0.55 120.40 126.97 3bs9 s VAL 126 Ca -0.14 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 60.68 3bs9 s VAL 126 Cb -0.06 -1.60 -0.06 0.00 0.00 0.00 0.00 36.38 34.65 3bs9 s VAL 126 CO 0.03 0.24 1.48 -0.69 0.00 0.00 0.00 175.10 176.16 3bs9 s VAL 127 N 1.45 3.49 0.18 2.92 1.01 -0.29 -4.90 120.40 124.26 3bs9 s VAL 127 Ca 0.01 0.91 0.07 0.00 0.00 0.00 0.00 61.98 62.96 3bs9 s VAL 127 Cb -0.15 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3bs9 s VAL 127 CO -0.09 0.00 0.04 -0.54 0.00 0.00 0.00 175.10 174.51 3bs9 s LYS 128 N 2.42 2.54 0.02 2.72 1.02 -1.26 0.90 119.74 128.10 3bs9 s LYS 128 Ca 0.67 -1.06 -0.30 0.00 0.02 0.00 0.00 55.97 55.29 3bs9 s LYS 128 Cb -0.34 -2.42 -0.06 0.00 -0.52 0.00 0.00 37.83 34.49 3bs9 s LYS 128 CO 0.28 0.46 1.37 0.34 -0.92 0.00 0.00 175.35 176.88 3bs9 s ASP 129 N -3.05 6.88 0.53 2.83 2.15 0.17 -4.79 116.67 121.39 3bs9 s ASP 129 Ca 0.29 2.13 0.24 0.00 0.43 0.00 0.00 52.55 55.64 3bs9 s ASP 129 Cb -0.09 -2.57 1.47 0.00 -0.30 0.00 0.00 42.92 41.43 3bs9 s ASP 129 CO 0.20 -0.67 2.13 0.24 -0.17 0.00 0.00 175.17 176.89 3bs9 h MET 130 N 7.51 0.00 0.00 4.34 2.86 -1.96 0.62 114.93 128.30 3bs9 h MET 130 Ca -0.39 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.20 3bs9 h MET 130 Cb 1.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 3bs9 h MET 130 CO 0.88 0.08 -0.30 0.00 1.06 0.00 0.00 176.91 178.64 3bs9 h ALA 131 N 1.92 0.06 0.00 6.32 0.00 -1.97 -3.40 119.26 122.19 3bs9 h ALA 131 Ca -0.00 -0.65 -0.20 0.00 0.00 0.00 0.00 54.91 54.06 3bs9 h ALA 131 Cb 0.19 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3bs9 h ALA 131 CO 0.01 0.17 -1.91 0.25 0.00 0.00 0.00 179.25 177.77 3bs9 n THR 132 N -4.57 0.97 -0.85 0.00 -2.24 -1.20 -4.96 114.28 101.42 3bs9 n THR 132 Ca -0.15 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 3bs9 n THR 132 Cb 0.51 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 3bs9 n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bs9 n GLY 133 N 1.49 0.88 3.78 3.38 0.00 0.21 -4.98 105.19 109.96 3bs9 n GLY 133 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 3bs9 n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bs9 s LYS 134 N -0.15 4.35 0.38 1.61 1.02 -1.26 -4.56 119.74 121.13 3bs9 s LYS 134 Ca 0.00 1.44 -0.26 0.00 0.02 0.00 0.00 55.97 57.16 3bs9 s LYS 134 Cb 0.00 -2.65 -0.11 0.00 -0.52 0.00 0.00 37.83 34.55 3bs9 s LYS 134 CO 0.00 0.04 1.13 0.45 -0.92 0.00 0.00 175.35 176.05 3bs9 n SER 135 N 0.19 1.88 -0.21 2.83 2.88 -1.26 0.45 113.62 120.38 3bs9 n SER 135 Ca 0.04 1.12 0.14 0.00 -1.33 0.00 0.00 58.87 58.83 3bs9 n SER 135 Cb 0.50 -1.40 0.53 0.00 -0.75 0.00 0.00 64.21 63.09 3bs9 n SER 135 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3bs9 n LYS 136 N 0.33 0.89 -0.13 -1.46 5.02 0.26 -4.67 118.16 118.40 3bs9 n LYS 136 Ca 0.08 -0.41 0.00 0.00 -2.02 0.00 0.00 58.31 55.95 3bs9 n LYS 136 Cb 0.37 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 3bs9 n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bs9 n GLY 137 N 1.27 0.93 3.39 0.72 0.00 -1.26 -4.99 105.19 105.25 3bs9 n GLY 137 Ca 0.15 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 3bs9 n GLY 137 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3bs9 s TYR 138 N -2.00 -0.41 0.00 1.61 -0.85 -1.26 -0.33 117.35 114.11 3bs9 s TYR 138 Ca 0.00 0.47 0.00 0.00 -0.52 0.00 0.00 57.07 57.02 3bs9 s TYR 138 Cb 0.00 0.32 0.00 0.00 0.38 0.00 0.00 41.96 42.66 3bs9 s TYR 138 CO 0.00 -0.63 0.00 0.41 -1.52 0.00 0.00 175.55 173.81 3bs9 n GLY 139 N 0.46 3.09 3.11 5.49 0.00 0.21 -1.14 105.19 116.41 3bs9 n GLY 139 Ca -0.18 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.60 3bs9 n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bs9 s PHE 140 N -4.98 0.18 -0.02 1.61 0.08 0.29 -1.12 117.98 114.02 3bs9 s PHE 140 Ca 0.00 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.61 3bs9 s PHE 140 Cb 0.00 -0.13 0.01 0.00 -0.57 0.00 0.00 43.02 42.33 3bs9 s PHE 140 CO 0.00 -0.34 -0.04 0.08 -0.10 0.00 0.00 175.22 174.82 3bs9 s VAL 141 N -2.37 0.42 -0.14 -0.44 1.01 0.11 -0.86 120.40 118.13 3bs9 s VAL 141 Ca -0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 3bs9 s VAL 141 Cb -0.03 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 3bs9 s VAL 141 CO -0.03 0.16 -0.11 -0.44 0.00 0.00 0.00 175.10 174.68 3bs9 s SER 142 N 0.46 4.18 0.07 3.32 0.01 0.10 0.05 113.70 121.90 3bs9 s SER 142 Ca -0.05 -0.29 0.05 0.00 1.31 0.00 0.00 55.95 56.96 3bs9 s SER 142 Cb -0.09 -1.65 -0.04 0.00 0.21 0.00 0.00 66.02 64.45 3bs9 s SER 142 CO -0.00 0.16 -0.02 -0.36 0.41 0.00 0.00 173.24 173.42 3bs9 s PHE 143 N 0.40 2.95 -0.10 2.43 0.40 0.02 -0.24 117.98 123.85 3bs9 s PHE 143 Ca -0.09 -0.03 0.26 0.00 -0.60 0.00 0.00 56.93 56.47 3bs9 s PHE 143 Cb -0.15 -1.55 0.77 0.00 0.51 0.00 0.00 43.02 42.60 3bs9 s PHE 143 CO 0.05 0.46 1.76 0.74 0.70 0.00 0.00 175.22 178.93 3bs9 h PHE 144 N 3.69 0.00 -4.20 0.36 -1.00 -1.74 -0.13 116.94 113.92 3bs9 h PHE 144 Ca -0.48 0.00 -0.60 0.00 2.81 0.00 0.00 57.97 59.70 3bs9 h PHE 144 Cb 1.17 0.00 -0.30 0.00 3.61 0.00 0.00 35.95 40.42 3bs9 h PHE 144 CO 0.60 0.11 -0.85 1.21 -1.61 0.00 0.00 178.31 177.77 3bs9 s ASN 145 N -6.06 2.42 0.22 2.17 2.47 -1.26 -4.72 114.94 110.17 3bs9 s ASN 145 Ca 0.03 -0.38 -0.07 0.00 0.42 0.00 0.00 52.86 52.86 3bs9 s ASN 145 Cb 0.08 -0.45 0.18 0.00 -1.45 0.00 0.00 41.25 39.61 3bs9 s ASN 145 CO 0.63 0.22 1.78 0.50 -3.72 0.00 0.00 177.10 176.51 3bs9 h LYS 146 N 5.89 1.17 -0.11 0.43 3.64 -1.94 -2.56 116.57 123.08 3bs9 h LYS 146 Ca -0.36 -0.22 0.02 0.00 -1.27 0.00 0.00 60.65 58.82 3bs9 h LYS 146 Cb 1.16 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 3bs9 h LYS 146 CO 0.48 0.95 -0.02 -1.49 -2.27 0.00 0.00 179.45 177.10 3bs9 h TRP 147 N 1.14 -0.03 -0.93 1.91 4.06 -1.99 0.25 115.95 120.36 3bs9 h TRP 147 Ca 0.26 0.01 0.01 0.00 2.06 0.00 0.00 58.89 61.23 3bs9 h TRP 147 Cb 0.23 0.03 -0.05 0.00 -1.00 0.00 0.00 29.16 28.38 3bs9 h TRP 147 CO 0.02 -0.03 0.62 -0.44 -3.56 0.00 0.00 178.44 175.04 3bs9 h ASP 148 N 0.02 1.06 -0.27 -3.49 3.32 -1.81 0.47 116.42 115.72 3bs9 h ASP 148 Ca 0.05 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3bs9 h ASP 148 Cb 0.07 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3bs9 h ASP 148 CO -0.10 0.76 0.14 0.00 -1.72 0.00 0.00 179.24 178.31 3bs9 h ALA 149 N 1.42 0.35 -0.37 3.45 0.00 -0.91 0.90 119.26 124.10 3bs9 h ALA 149 Ca 0.34 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.21 3bs9 h ALA 149 Cb -0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3bs9 h ALA 149 CO -0.08 -0.10 0.13 0.93 0.00 0.00 0.00 179.25 180.13 3bs9 h GLU 150 N 0.31 0.27 -0.48 0.00 5.08 0.28 -1.00 114.58 119.04 3bs9 h GLU 150 Ca 0.09 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3bs9 h GLU 150 Cb 0.10 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3bs9 h GLU 150 CO -0.01 0.18 0.28 -0.91 -1.00 0.00 0.00 179.01 177.55 3bs9 h ASN 151 N 0.28 0.45 -0.29 1.42 2.35 -0.54 -2.03 115.58 117.22 3bs9 h ASN 151 Ca 0.17 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3bs9 h ASN 151 Cb 0.15 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3bs9 h ASN 151 CO -0.18 0.32 0.17 0.00 -1.65 0.00 0.00 177.43 176.09 3bs9 h ALA 152 N 1.21 0.37 0.20 -0.83 0.00 -0.28 -1.73 119.26 118.20 3bs9 h ALA 152 Ca 0.19 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3bs9 h ALA 152 Cb 0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3bs9 h ALA 152 CO -0.09 -0.12 -0.22 0.82 0.00 0.00 0.00 179.25 179.65 3bs9 h ILE 153 N 0.36 0.53 -0.28 0.00 2.04 -0.94 -0.09 117.51 119.14 3bs9 h ILE 153 Ca 0.10 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 3bs9 h ILE 153 Cb 0.03 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3bs9 h ILE 153 CO -0.02 0.00 0.12 1.56 0.00 0.00 0.00 178.15 179.81 3bs9 h GLN 154 N -0.46 0.41 0.03 2.37 1.08 -1.34 -2.41 115.11 114.79 3bs9 h GLN 154 Ca 0.00 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.13 3bs9 h GLN 154 Cb 0.43 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 3bs9 h GLN 154 CO -0.06 0.42 -0.01 0.37 -0.95 0.00 0.00 178.83 178.59 3bs9 h GLN 155 N 0.30 -0.04 0.00 1.46 5.75 -1.30 -3.32 115.11 117.96 3bs9 h GLN 155 Ca 0.09 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 3bs9 h GLN 155 Cb 0.15 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.71 3bs9 h GLN 155 CO -0.01 0.51 0.00 -1.33 -2.65 0.00 0.00 178.83 175.35 3bs9 n MET 156 N -4.84 0.22 -1.80 1.69 2.81 -0.05 -4.63 117.12 110.53 3bs9 n MET 156 Ca -0.09 0.35 -0.42 0.00 -1.81 0.00 0.00 57.70 55.73 3bs9 n MET 156 Cb 0.29 -1.85 -0.03 0.00 -0.71 0.00 0.00 33.22 30.92 3bs9 n MET 156 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3bs9 s GLY 157 N -3.55 1.47 0.00 3.03 0.00 -0.91 -1.72 107.32 105.63 3bs9 s GLY 157 Ca 0.06 1.24 0.00 0.00 0.00 0.00 0.00 44.72 46.02 3bs9 s GLY 157 CO 0.46 3.22 0.00 0.61 0.00 0.00 0.00 173.10 177.39 3bs9 n GLY 158 N 4.30 1.54 3.78 0.20 0.00 0.25 -4.97 105.19 110.29 3bs9 n GLY 158 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3bs9 n GLY 158 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bs9 s GLN 159 N -0.26 3.55 -0.07 1.61 -1.52 -0.70 -4.63 119.66 117.64 3bs9 s GLN 159 Ca 0.00 1.59 -0.29 0.00 -1.95 0.00 0.00 55.36 54.71 3bs9 s GLN 159 Cb 0.00 -2.12 -0.02 0.00 -0.22 0.00 0.00 33.01 30.65 3bs9 s GLN 159 CO 0.00 -0.68 0.96 -1.58 -0.25 0.00 0.00 175.29 173.74 3bs9 s TRP 160 N -1.77 3.57 -0.22 0.91 0.52 -1.26 -2.04 118.94 118.65 3bs9 s TRP 160 Ca 0.69 1.58 -0.04 0.00 0.02 0.00 0.00 56.10 58.36 3bs9 s TRP 160 Cb -0.23 -3.12 0.11 0.00 -1.15 0.00 0.00 33.47 29.08 3bs9 s TRP 160 CO 0.27 -0.12 0.32 -1.17 0.02 0.00 0.00 176.95 176.27 3bs9 s LEU 161 N 1.55 -0.45 -0.30 2.99 1.98 -0.15 -4.88 118.68 119.42 3bs9 s LEU 161 Ca 0.48 0.20 0.00 0.00 -2.89 0.00 0.00 54.13 51.92 3bs9 s LEU 161 Cb -0.19 0.88 0.00 0.00 0.66 0.00 0.00 46.19 47.54 3bs9 s LEU 161 CO 0.21 -0.30 0.00 0.61 -1.89 0.00 0.00 176.35 174.99 3bs9 n GLY 162 N 5.35 0.29 2.22 7.98 0.00 -1.26 -3.57 105.19 116.20 3bs9 n GLY 162 Ca -0.05 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3bs9 n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bs9 n GLY 163 N -1.23 0.99 3.22 -0.02 0.00 -1.26 -4.52 105.19 102.38 3bs9 n GLY 163 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 3bs9 n GLY 163 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bs9 s ARG 164 N -0.26 1.05 -0.37 1.61 0.52 -1.23 -5.08 118.95 115.19 3bs9 s ARG 164 Ca 0.00 -1.49 -0.21 0.00 -0.52 0.00 0.00 55.73 53.51 3bs9 s ARG 164 Cb 0.00 -0.26 0.01 0.00 0.52 0.00 0.00 34.95 35.22 3bs9 s ARG 164 CO 0.00 -0.10 0.65 -0.65 0.02 0.00 0.00 175.30 175.22 3bs9 s GLN 165 N -3.90 3.63 0.69 3.54 -0.21 -1.26 -0.98 119.66 121.17 3bs9 s GLN 165 Ca 0.21 0.02 -0.11 0.00 0.02 0.00 0.00 55.36 55.50 3bs9 s GLN 165 Cb 0.06 -3.83 0.01 0.00 1.00 0.00 0.00 33.01 30.24 3bs9 s GLN 165 CO 0.02 -0.79 1.06 0.96 -2.12 0.00 0.00 175.29 174.42 3bs9 s ILE 166 N 2.78 4.00 -0.04 1.08 -4.36 -0.86 -4.80 121.20 118.99 3bs9 s ILE 166 Ca 0.25 0.66 0.07 0.00 -0.26 0.00 0.00 60.65 61.37 3bs9 s ILE 166 Cb -0.14 -3.39 -0.01 0.00 1.25 0.00 0.00 42.46 40.17 3bs9 s ILE 166 CO 0.16 -0.84 -0.24 -0.13 0.24 0.00 0.00 174.94 174.14 3bs9 s ARG 167 N -4.99 2.14 0.18 0.37 1.81 -0.33 -0.58 118.95 117.55 3bs9 s ARG 167 Ca 0.58 -0.84 0.09 0.00 -1.72 0.00 0.00 55.73 53.84 3bs9 s ARG 167 Cb -0.14 -1.94 -0.04 0.00 -0.45 0.00 0.00 34.95 32.38 3bs9 s ARG 167 CO 0.54 0.44 -0.19 0.95 -0.68 0.00 0.00 175.30 176.36 3bs9 s THR 168 N -0.35 1.94 0.04 0.02 -4.23 -1.26 0.48 115.64 112.27 3bs9 s THR 168 Ca 0.03 -1.98 -0.29 0.00 -1.18 0.00 0.00 61.69 58.27 3bs9 s THR 168 Cb -0.11 -1.93 0.10 0.00 1.34 0.00 0.00 72.50 71.91 3bs9 s THR 168 CO 0.01 -0.31 1.19 0.21 -0.54 0.00 0.00 174.62 175.18 3bs9 s ASN 169 N -2.76 -0.09 0.68 3.99 2.47 -0.98 -4.93 114.94 113.32 3bs9 s ASN 169 Ca 0.18 -0.23 -0.14 0.00 0.42 0.00 0.00 52.86 53.09 3bs9 s ASN 169 Cb -0.06 0.26 0.01 0.00 -1.45 0.00 0.00 41.25 40.02 3bs9 s ASN 169 CO 0.08 -0.49 1.10 0.26 -3.72 0.00 0.00 177.10 174.33 3bs9 s TRP 170 N -2.66 2.68 0.17 0.43 0.52 -1.26 -0.04 118.94 118.78 3bs9 s TRP 170 Ca 0.14 1.54 -0.01 0.00 0.02 0.00 0.00 56.10 57.79 3bs9 s TRP 170 Cb 0.03 -3.10 -0.04 0.00 -1.15 0.00 0.00 33.47 29.20 3bs9 s TRP 170 CO -0.02 -1.63 0.10 0.00 0.02 0.00 0.00 176.95 175.43 3bs9 s ALA 171 N -2.53 1.07 0.00 0.98 0.00 -0.14 -4.42 121.76 116.71 3bs9 s ALA 171 Ca 0.65 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.99 3bs9 s ALA 171 Cb -0.19 1.18 0.00 0.00 0.00 0.00 0.00 23.12 24.11 3bs9 s ALA 171 CO 0.45 -0.55 0.00 2.41 0.00 0.00 0.00 175.76 178.08