#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxe n SER 106 N 0.00 3.39 -4.42 1.61 7.64 -1.26 -4.65 113.62 115.94 1sxe n SER 106 Ca 0.00 -2.71 -0.45 0.00 1.01 0.00 0.00 58.87 56.73 1sxe n SER 106 Cb 0.00 -0.65 -0.01 0.00 -1.01 0.00 0.00 64.21 62.54 1sxe n SER 106 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1sxe s HIS 107 N -1.74 3.63 -1.38 1.43 0.09 -1.26 -4.92 115.29 111.14 1sxe s HIS 107 Ca 0.28 -2.09 -0.07 0.00 -0.00 0.00 0.00 55.06 53.19 1sxe s HIS 107 Cb 0.23 -4.14 0.08 0.00 -0.00 0.00 0.00 32.58 28.76 1sxe s HIS 107 CO 0.06 -1.26 2.47 -1.33 -0.00 0.00 0.00 174.74 174.68 1sxe n MET 108 N 4.94 4.33 -0.02 1.40 2.00 -1.26 -4.51 117.12 124.00 1sxe n MET 108 Ca 0.28 -3.20 -0.01 0.00 0.00 0.00 0.00 57.70 54.77 1sxe n MET 108 Cb 0.44 -2.70 -0.00 0.00 0.00 0.00 0.00 33.22 30.96 1sxe n MET 108 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1sxe h GLU 109 N 4.78 0.00 -2.17 0.03 5.08 -1.97 -3.39 114.58 116.93 1sxe h GLU 109 Ca 0.72 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 58.67 1sxe h GLU 109 Cb 0.32 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.47 1sxe h GLU 109 CO 1.56 0.00 0.63 0.39 -1.00 0.00 0.00 179.01 180.59 1sxe n GLU 110 N -2.90 2.58 -3.21 2.33 -0.58 -1.26 -4.84 120.64 112.76 1sxe n GLU 110 Ca -0.02 -1.84 -0.14 0.00 -0.42 0.00 0.00 57.16 54.75 1sxe n GLU 110 Cb 0.06 -2.20 -0.03 0.00 -0.57 0.00 0.00 31.44 28.69 1sxe n GLU 110 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1sxe n LYS 111 N 1.99 1.08 -3.45 3.49 4.01 -1.26 -4.84 118.16 119.18 1sxe n LYS 111 Ca 0.51 -1.71 -0.24 0.00 -0.51 0.00 0.00 58.31 56.36 1sxe n LYS 111 Cb 0.65 0.69 0.06 0.00 -0.51 0.00 0.00 35.03 35.92 1sxe n LYS 111 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1sxe n HIS 112 N -0.52 -2.54 -0.06 2.13 8.25 -1.26 -4.91 115.22 116.32 1sxe n HIS 112 Ca -0.06 0.85 -0.11 0.00 -0.26 0.00 0.00 57.72 58.13 1sxe n HIS 112 Cb 0.30 -4.74 -0.04 0.00 1.12 0.00 0.00 29.99 26.63 1sxe n HIS 112 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1sxe n MET 113 N -4.66 0.25 -0.25 -0.41 2.81 -1.26 -4.62 117.12 108.97 1sxe n MET 113 Ca -0.03 0.10 0.06 0.00 -1.81 0.00 0.00 57.70 56.02 1sxe n MET 113 Cb 0.57 -0.97 0.19 0.00 -0.71 0.00 0.00 33.22 32.30 1sxe n MET 113 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1sxe h PRO 114 N -0.32 0.29 -6.19 0.03 0.11 -1.97 -3.42 132.00 120.53 1sxe h PRO 114 Ca -0.28 -0.02 -0.63 0.00 0.11 0.00 0.00 66.00 65.18 1sxe h PRO 114 Cb 1.28 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.34 1sxe h PRO 114 CO -0.15 0.19 1.18 -2.30 -0.21 0.00 0.00 178.00 176.72 1sxe n PRO 115 N -5.13 1.91 0.00 1.05 -0.02 -1.26 -4.98 135.00 126.57 1sxe n PRO 115 Ca 0.15 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1sxe n PRO 115 Cb 0.47 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 1sxe n PRO 115 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1sxe n PRO 116 N 7.05 2.96 0.00 0.52 -0.04 -1.26 -4.80 135.00 139.44 1sxe n PRO 116 Ca 0.27 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1sxe n PRO 116 Cb 0.29 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.75 1sxe n PRO 116 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1sxe n ASN 117 N 0.00 0.00 0.00 3.54 0.23 -1.26 -4.58 115.26 113.19 1sxe n ASN 117 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1sxe n ASN 117 Cb 0.00 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 37.59 1sxe n ASN 117 CO 0.00 0.00 0.00 1.15 -0.93 0.00 0.00 177.26 177.48 1sxe n MET 118 N -1.99 0.00 -2.04 -3.83 0.00 -1.26 -4.97 117.12 103.03 1sxe n MET 118 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 57.70 57.67 1sxe n MET 118 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.23 1sxe n MET 118 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1sxe n THR 119 N 0.00 -3.83 -1.16 3.17 -1.04 -1.26 -5.00 114.28 105.16 1sxe n THR 119 Ca 0.00 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1sxe n THR 119 Cb 0.00 -4.38 0.00 0.00 -1.82 0.00 0.00 70.33 64.13 1sxe n THR 119 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1sxe n THR 120 N -1.68 0.00 -1.21 12.58 -2.24 -1.25 -4.86 114.28 115.62 1sxe n THR 120 Ca -0.01 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.70 1sxe n THR 120 Cb 0.52 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 1sxe n THR 120 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1sxe n ASN 121 N 0.00 -5.14 -3.73 3.42 2.85 -0.38 -1.95 115.26 110.34 1sxe n ASN 121 Ca 0.00 0.18 -0.26 0.00 -0.11 0.00 0.00 54.58 54.39 1sxe n ASN 121 Cb 0.00 -3.28 0.01 0.00 1.24 0.00 0.00 39.78 37.75 1sxe n ASN 121 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1sxe n GLU 122 N -1.11 -1.60 0.00 1.20 -0.58 -1.26 -1.65 120.64 115.65 1sxe n GLU 122 Ca -0.07 0.88 0.00 0.00 -0.42 0.00 0.00 57.16 57.55 1sxe n GLU 122 Cb 0.45 -2.39 0.00 0.00 -0.57 0.00 0.00 31.44 28.93 1sxe n GLU 122 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1sxe n ARG 123 N -2.25 0.00 0.00 3.49 0.63 -1.26 -4.83 116.66 112.44 1sxe n ARG 123 Ca -0.28 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.65 1sxe n ARG 123 Cb 0.69 -1.36 0.00 0.00 0.45 0.00 0.00 32.46 32.23 1sxe n ARG 123 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1sxe n ARG 124 N -1.47 0.00 -0.00 -0.14 1.74 -0.66 -4.53 116.66 111.61 1sxe n ARG 124 Ca 0.00 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.17 1sxe n ARG 124 Cb 0.00 -0.72 -0.11 0.00 -1.02 0.00 0.00 32.46 30.61 1sxe n ARG 124 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1sxe n VAL 125 N -0.42 0.00 -3.52 1.55 0.31 -1.26 -5.00 118.33 109.99 1sxe n VAL 125 Ca 0.00 -0.06 -0.22 0.00 -0.01 0.00 0.00 64.34 64.05 1sxe n VAL 125 Cb 0.00 1.00 0.05 0.00 -0.91 0.00 0.00 33.84 33.98 1sxe n VAL 125 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1sxe n ILE 126 N -1.44 -6.58 -3.91 2.52 2.08 -1.18 -4.96 119.36 105.88 1sxe n ILE 126 Ca 0.03 -0.92 -0.10 0.00 0.56 0.00 0.00 62.75 62.32 1sxe n ILE 126 Cb 0.29 -4.96 -0.10 0.00 -0.75 0.00 0.00 39.64 34.12 1sxe n ILE 126 CO 0.00 0.00 0.00 0.68 0.56 0.00 0.00 176.55 177.79 1sxe s VAL 127 N -3.49 0.11 0.17 1.39 -7.23 -0.82 -4.26 120.40 106.26 1sxe s VAL 127 Ca 0.29 -0.92 -0.32 0.00 -1.81 0.00 0.00 61.98 59.22 1sxe s VAL 127 Cb -0.07 -0.65 -0.12 0.00 0.56 0.00 0.00 36.38 36.10 1sxe s VAL 127 CO 0.80 -0.51 1.74 -0.81 -0.31 0.00 0.00 175.10 176.01 1sxe n PRO 128 N 1.12 2.66 0.23 4.82 -0.04 -1.26 -1.24 135.00 141.28 1sxe n PRO 128 Ca -0.21 0.96 0.08 0.00 -0.04 0.00 0.00 63.50 64.29 1sxe n PRO 128 Cb 0.57 -2.81 0.43 0.00 -0.04 0.00 0.00 33.50 31.65 1sxe n PRO 128 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sxe h ALA 129 N 7.24 1.34 -1.96 0.55 0.00 -1.86 -3.24 119.26 121.34 1sxe h ALA 129 Ca -0.45 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 53.83 1sxe h ALA 129 Cb 1.22 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.87 1sxe h ALA 129 CO 0.94 -0.34 0.34 0.34 0.00 0.00 0.00 179.25 180.54 1sxe s ASP 130 N -3.59 6.31 0.00 0.00 2.15 -1.26 -2.13 116.67 118.15 1sxe s ASP 130 Ca -0.02 -0.49 0.00 0.00 0.43 0.00 0.00 52.55 52.47 1sxe s ASP 130 Cb 0.05 -2.38 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 1sxe s ASP 130 CO 0.14 -1.05 0.70 -2.65 -0.17 0.00 0.00 175.17 172.15 1sxe n PRO 131 N 6.87 0.46 -0.11 4.34 -0.02 -1.22 -3.07 135.00 142.25 1sxe n PRO 131 Ca -0.01 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.35 1sxe n PRO 131 Cb 0.47 -1.27 -0.14 0.00 -0.02 0.00 0.00 33.50 32.54 1sxe n PRO 131 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1sxe n THR 132 N 1.28 1.37 0.67 3.45 -2.24 -1.25 -3.84 114.28 113.73 1sxe n THR 132 Ca 0.00 -0.74 0.10 0.00 -2.27 0.00 0.00 64.05 61.14 1sxe n THR 132 Cb 0.23 -0.77 0.11 0.00 -2.10 0.00 0.00 70.33 67.81 1sxe n THR 132 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1sxe n LEU 133 N -2.89 2.83 -4.67 3.22 4.77 -1.18 0.01 117.00 119.10 1sxe n LEU 133 Ca -0.36 -1.15 -0.55 0.00 -0.03 0.00 0.00 56.01 53.93 1sxe n LEU 133 Cb 1.08 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 42.05 1sxe n LEU 133 CO 0.36 0.53 1.22 0.79 -1.33 0.00 0.00 177.39 178.96 1sxe n TRP 134 N 1.17 1.94 -1.93 -1.77 7.02 -1.26 -4.35 117.44 118.26 1sxe n TRP 134 Ca 0.13 0.51 -0.34 0.00 -1.02 0.00 0.00 57.50 56.78 1sxe n TRP 134 Cb 0.51 -2.45 0.04 0.00 -2.42 0.00 0.00 31.31 26.99 1sxe n TRP 134 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1sxe s SER 135 N 2.68 5.22 0.21 -0.99 0.15 -1.26 0.38 113.70 120.08 1sxe s SER 135 Ca 0.94 2.15 -0.06 0.00 0.70 0.00 0.00 55.95 59.68 1sxe s SER 135 Cb -0.99 -2.57 0.34 0.00 -1.71 0.00 0.00 66.02 61.09 1sxe s SER 135 CO 0.58 -1.56 1.15 0.35 1.20 0.00 0.00 173.24 174.96 1sxe n THR 136 N -1.96 -0.31 0.03 6.45 -2.24 -1.26 0.23 114.28 115.22 1sxe n THR 136 Ca 0.12 1.68 -0.19 0.00 -2.27 0.00 0.00 64.05 63.38 1sxe n THR 136 Cb 0.51 -2.33 -0.09 0.00 -2.10 0.00 0.00 70.33 66.32 1sxe n THR 136 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1sxe h ASP 137 N 0.00 0.91 0.65 3.42 3.58 -1.87 -2.99 116.42 120.11 1sxe h ASP 137 Ca 0.35 -0.69 0.00 0.00 0.42 0.00 0.00 57.03 57.11 1sxe h ASP 137 Cb 0.55 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1sxe h ASP 137 CO -0.75 1.50 0.00 1.41 -2.88 0.00 0.00 179.24 178.51 1sxe n HIS 138 N -3.87 0.57 0.06 0.28 8.25 0.82 -1.96 115.22 119.38 1sxe n HIS 138 Ca -0.10 0.23 -0.16 0.00 -0.26 0.00 0.00 57.72 57.43 1sxe n HIS 138 Cb 0.85 -0.87 -0.14 0.00 1.12 0.00 0.00 29.99 30.95 1sxe n HIS 138 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1sxe h VAL 139 N 0.00 1.17 0.00 1.59 2.07 -0.07 -2.71 116.25 118.30 1sxe h VAL 139 Ca 0.00 -2.83 -0.06 0.00 0.82 0.00 0.00 66.70 64.63 1sxe h VAL 139 Cb 0.32 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 1sxe h VAL 139 CO 0.00 0.81 -0.30 0.03 0.02 0.00 0.00 177.57 178.13 1sxe h ARG 140 N 0.06 0.00 0.43 1.57 -0.00 -1.47 -2.51 114.38 112.46 1sxe h ARG 140 Ca -0.23 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.23 1sxe h ARG 140 Cb 2.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.97 1sxe h ARG 140 CO 0.15 0.30 -0.21 0.37 0.00 0.00 0.00 179.97 180.58 1sxe h GLN 141 N 0.00 -0.56 0.22 0.04 4.15 -1.07 0.26 115.11 118.14 1sxe h GLN 141 Ca -0.00 0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.46 1sxe h GLN 141 Cb 0.56 0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.34 1sxe h GLN 141 CO 0.04 -0.37 -0.49 2.35 -1.93 0.00 0.00 178.83 178.43 1sxe h TRP 142 N -0.71 -1.39 -1.51 3.99 7.01 -1.63 0.27 115.95 121.97 1sxe h TRP 142 Ca -0.06 0.03 0.48 0.00 2.11 0.00 0.00 58.89 61.45 1sxe h TRP 142 Cb 0.44 0.58 -0.12 0.00 -2.10 0.00 0.00 29.16 27.97 1sxe h TRP 142 CO 0.08 -0.59 1.01 1.25 -2.79 0.00 0.00 178.44 177.40 1sxe h LEU 143 N -0.79 0.16 0.00 0.65 5.85 -1.36 1.94 115.31 121.75 1sxe h LEU 143 Ca -0.01 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1sxe h LEU 143 Cb 0.77 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1sxe h LEU 143 CO -0.22 -0.15 -0.41 -0.33 -0.34 0.00 0.00 178.44 176.98 1sxe h GLU 144 N 0.03 0.00 0.00 1.25 5.08 0.05 -3.18 114.58 117.81 1sxe h GLU 144 Ca 0.86 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.22 1sxe h GLU 144 Cb 2.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.21 1sxe h GLU 144 CO -0.32 0.69 0.00 1.87 -1.00 0.00 0.00 179.01 180.26 1sxe n TRP 145 N -4.59 0.12 -0.03 4.33 -0.00 0.89 -1.46 117.44 116.70 1sxe n TRP 145 Ca -0.14 0.06 -0.15 0.00 -0.00 0.00 0.00 57.50 57.28 1sxe n TRP 145 Cb 0.42 -0.60 -0.14 0.00 -0.00 0.00 0.00 31.31 30.99 1sxe n TRP 145 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1sxe n ALA 146 N -1.55 1.24 0.20 5.87 0.00 0.63 -0.18 120.51 126.73 1sxe n ALA 146 Ca -0.00 -0.77 0.18 0.00 0.00 0.00 0.00 53.44 52.85 1sxe n ALA 146 Cb 0.02 -0.67 0.83 0.00 0.00 0.00 0.00 19.45 19.63 1sxe n ALA 146 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sxe h VAL 147 N 0.03 0.36 0.02 0.00 2.07 -1.23 0.35 116.25 117.85 1sxe h VAL 147 Ca -0.39 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 66.81 1sxe h VAL 147 Cb 2.03 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 32.53 1sxe h VAL 147 CO 0.07 0.00 -1.93 0.29 0.02 0.00 0.00 177.57 176.01 1sxe n LYS 148 N -3.62 0.67 -0.01 1.57 4.76 -1.13 -2.58 118.16 117.82 1sxe n LYS 148 Ca 0.02 0.22 -0.13 0.00 -2.87 0.00 0.00 58.31 55.56 1sxe n LYS 148 Cb 0.39 -1.71 -0.10 0.00 -1.84 0.00 0.00 35.03 31.77 1sxe n LYS 148 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1sxe h GLU 149 N 0.01 -0.03 -0.17 1.97 4.81 0.62 -3.33 114.58 118.45 1sxe h GLU 149 Ca -0.38 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1sxe h GLU 149 Cb 2.06 0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.45 1sxe h GLU 149 CO 0.06 0.55 0.00 0.66 -0.73 0.00 0.00 179.01 179.55 1sxe n TYR 150 N -4.82 0.23 -2.72 0.92 4.01 0.11 -5.00 117.16 109.89 1sxe n TYR 150 Ca -0.09 -0.34 -0.08 0.00 -0.16 0.00 0.00 57.90 57.23 1sxe n TYR 150 Cb 0.30 -0.02 0.04 0.00 -0.31 0.00 0.00 39.34 39.35 1sxe n TYR 150 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sxe n GLY 151 N 0.31 0.13 3.60 2.72 0.00 -1.17 -4.96 105.19 105.82 1sxe n GLY 151 Ca 0.07 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 1sxe n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sxe s LEU 152 N -3.92 3.58 0.25 0.99 1.43 -1.06 -4.91 118.68 115.03 1sxe s LEU 152 Ca 0.06 1.12 -0.04 0.00 -1.03 0.00 0.00 54.13 54.24 1sxe s LEU 152 Cb -0.03 -3.53 0.33 0.00 0.03 0.00 0.00 46.19 43.00 1sxe s LEU 152 CO 0.33 -1.54 1.89 -0.65 0.23 0.00 0.00 176.35 176.61 1sxe h PRO 153 N 11.67 1.16 -0.96 1.29 0.11 -1.93 -3.39 132.00 139.96 1sxe h PRO 153 Ca -0.31 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 65.64 1sxe h PRO 153 Cb 1.14 -0.26 -0.17 0.00 0.11 0.00 0.00 31.00 31.81 1sxe h PRO 153 CO 1.05 0.77 -0.45 0.34 -0.21 0.00 0.00 178.00 179.50 1sxe s ASP 154 N -5.95 -1.44 -0.17 -2.05 2.15 -1.26 -5.13 116.67 102.83 1sxe s ASP 154 Ca -0.13 -1.20 -0.09 0.00 0.43 0.00 0.00 52.55 51.56 1sxe s ASP 154 Cb 0.19 1.86 -0.05 0.00 -0.30 0.00 0.00 42.92 44.62 1sxe s ASP 154 CO 0.81 -0.11 0.13 -0.69 -0.17 0.00 0.00 175.17 175.15 1sxe s VAL 155 N 1.37 5.45 -0.51 1.11 1.01 -1.26 -4.94 120.40 122.63 1sxe s VAL 155 Ca 0.23 0.20 -0.20 0.00 0.00 0.00 0.00 61.98 62.21 1sxe s VAL 155 Cb -0.02 -3.44 0.06 0.00 0.00 0.00 0.00 36.38 32.98 1sxe s VAL 155 CO -0.06 0.51 0.66 0.21 0.00 0.00 0.00 175.10 176.41 1sxe s ASN 156 N -0.17 6.24 -0.06 3.32 3.04 -1.26 -4.91 114.94 121.14 1sxe s ASN 156 Ca 0.11 -0.84 0.12 0.00 0.04 0.00 0.00 52.86 52.29 1sxe s ASN 156 Cb -0.11 -2.31 -0.23 0.00 -1.54 0.00 0.00 41.25 37.06 1sxe s ASN 156 CO 0.00 -0.92 0.61 -0.38 -3.04 0.00 0.00 177.10 173.37 1sxe n ILE 157 N 5.68 1.60 0.71 -5.21 5.41 -1.26 -3.79 119.36 122.51 1sxe n ILE 157 Ca -0.05 -0.79 0.04 0.00 1.00 0.00 0.00 62.75 62.94 1sxe n ILE 157 Cb 0.46 -1.03 0.21 0.00 -0.71 0.00 0.00 39.64 38.57 1sxe n ILE 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1sxe n LEU 158 N -3.05 0.00 0.02 1.39 -0.00 -1.26 -1.21 117.00 112.90 1sxe n LEU 158 Ca -0.19 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 55.93 1sxe n LEU 158 Cb 1.06 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 44.36 1sxe n LEU 158 CO 0.45 0.00 -0.54 0.18 -0.00 0.00 0.00 177.39 177.48 1sxe n LEU 159 N -0.82 0.25 -0.44 1.47 4.32 -1.25 -3.99 117.00 116.55 1sxe n LEU 159 Ca 0.05 0.10 0.12 0.00 -0.02 0.00 0.00 56.01 56.26 1sxe n LEU 159 Cb 0.02 -0.01 0.22 0.00 -1.62 0.00 0.00 43.42 42.03 1sxe n LEU 159 CO 0.04 -0.05 0.54 0.49 -1.22 0.00 0.00 177.39 177.19 1sxe n PHE 160 N -2.39 0.00 -0.31 -1.77 3.01 -0.35 -4.52 117.46 111.15 1sxe n PHE 160 Ca -0.03 0.00 0.22 0.00 1.01 0.00 0.00 57.45 58.65 1sxe n PHE 160 Cb 0.57 -0.05 0.52 0.00 -0.01 0.00 0.00 39.48 40.51 1sxe n PHE 160 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1sxe h GLN 161 N 2.14 0.38 -0.44 -1.08 4.20 -1.67 0.35 115.11 118.99 1sxe h GLN 161 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1sxe h GLN 161 Cb 0.65 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1sxe h GLN 161 CO 0.00 0.25 0.00 0.09 -0.67 0.00 0.00 178.83 178.50 1sxe n ASN 162 N -4.58 2.75 -4.63 1.46 3.02 -1.26 -4.81 115.26 107.22 1sxe n ASN 162 Ca 0.24 -1.94 -0.34 0.00 -0.03 0.00 0.00 54.58 52.50 1sxe n ASN 162 Cb 0.85 -0.29 -0.10 0.00 -0.61 0.00 0.00 39.78 39.63 1sxe n ASN 162 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1sxe s ILE 163 N -1.42 4.68 0.24 2.41 1.01 0.12 -5.05 121.20 123.20 1sxe s ILE 163 Ca 0.36 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.95 1sxe s ILE 163 Cb 0.19 -3.09 0.02 0.00 0.01 0.00 0.00 42.46 39.59 1sxe s ILE 163 CO 0.26 0.48 0.15 -0.90 0.00 0.00 0.00 174.94 174.93 1sxe n ASP 164 N 3.42 1.94 0.17 3.58 5.75 -1.26 -4.51 116.55 125.63 1sxe n ASP 164 Ca -0.17 -1.88 0.10 0.00 -0.01 0.00 0.00 54.79 52.83 1sxe n ASP 164 Cb 0.52 0.01 0.62 0.00 -1.03 0.00 0.00 41.12 41.25 1sxe n ASP 164 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1sxe h GLY 165 N 0.34 0.08 2.00 6.12 0.00 -0.18 0.29 103.07 111.72 1sxe h GLY 165 Ca -0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 1sxe h GLY 165 CO 0.26 0.02 -0.07 0.07 0.00 0.00 0.00 176.54 176.82 1sxe h LYS 166 N 0.07 0.00 0.00 4.80 2.10 -0.59 0.42 116.57 123.38 1sxe h LYS 166 Ca 0.07 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.47 1sxe h LYS 166 Cb 0.20 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.48 1sxe h LYS 166 CO -0.01 0.07 -1.93 -1.91 -2.00 0.00 0.00 179.45 173.68 1sxe n GLU 167 N -3.18 0.65 0.11 0.07 4.07 -0.03 -3.99 120.64 118.34 1sxe n GLU 167 Ca 0.01 0.10 0.05 0.00 -0.06 0.00 0.00 57.16 57.25 1sxe n GLU 167 Cb 0.38 -1.66 0.00 0.00 -0.06 0.00 0.00 31.44 30.10 1sxe n GLU 167 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1sxe h LEU 168 N 0.00 0.00 -1.25 4.31 5.85 -0.54 -3.00 115.31 120.68 1sxe h LEU 168 Ca -0.32 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.33 1sxe h LEU 168 Cb 1.86 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.88 1sxe h LEU 168 CO 0.04 0.35 -0.35 0.00 -0.34 0.00 0.00 178.44 178.14 1sxe n LYS 170 N -3.90 4.15 -3.43 0.00 5.02 -1.14 -4.92 118.16 113.94 1sxe n LYS 170 Ca -0.02 -2.99 -0.38 0.00 -2.02 0.00 0.00 58.31 52.90 1sxe n LYS 170 Cb 0.42 -2.03 -0.06 0.00 -0.02 0.00 0.00 35.03 33.34 1sxe n LYS 170 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1sxe s MET 171 N -2.26 4.03 0.48 1.97 -1.94 -1.17 -5.06 119.30 115.35 1sxe s MET 171 Ca 0.52 0.49 0.05 0.00 -1.71 0.00 0.00 55.69 55.04 1sxe s MET 171 Cb 0.36 -3.25 0.02 0.00 2.01 0.00 0.00 34.83 33.98 1sxe s MET 171 CO 0.20 0.62 0.66 0.95 -0.01 0.00 0.00 175.02 177.44 1sxe s THR 172 N -0.90 2.84 0.54 2.05 -4.23 -1.26 -4.95 115.64 109.72 1sxe s THR 172 Ca 0.25 -0.87 0.24 0.00 -1.18 0.00 0.00 61.69 60.13 1sxe s THR 172 Cb -0.17 -2.97 0.37 0.00 1.34 0.00 0.00 72.50 71.07 1sxe s THR 172 CO 0.14 0.00 2.03 0.07 -0.54 0.00 0.00 174.62 176.32 1sxe h LYS 173 N 0.40 0.00 -0.00 3.99 2.10 -1.98 0.97 116.57 122.05 1sxe h LYS 173 Ca -0.40 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.14 1sxe h LYS 173 Cb 1.29 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.60 1sxe h LYS 173 CO 0.47 0.00 -0.52 0.22 -2.00 0.00 0.00 179.45 177.62 1sxe h ASP 174 N 0.00 0.01 0.13 7.07 3.58 -2.00 -2.15 116.42 123.05 1sxe h ASP 174 Ca 0.19 -0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.50 1sxe h ASP 174 Cb 0.79 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.83 1sxe h ASP 174 CO -0.00 0.53 -0.50 0.44 -2.88 0.00 0.00 179.24 176.83 1sxe h ASP 175 N 0.00 0.46 0.54 2.28 3.32 -1.17 -2.90 116.42 118.96 1sxe h ASP 175 Ca -0.00 -0.23 -0.27 0.00 0.02 0.00 0.00 57.03 56.54 1sxe h ASP 175 Cb 0.92 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 40.35 1sxe h ASP 175 CO 0.07 0.89 -1.22 -0.26 -1.72 0.00 0.00 179.24 176.99 1sxe h PHE 176 N 0.34 0.57 -0.93 4.55 -1.00 -1.39 -3.33 116.94 115.75 1sxe h PHE 176 Ca 0.01 -0.40 0.06 0.00 2.81 0.00 0.00 57.97 60.45 1sxe h PHE 176 Cb 1.00 -0.03 -0.06 0.00 3.61 0.00 0.00 35.95 40.47 1sxe h PHE 176 CO 0.03 1.29 0.61 1.96 -1.61 0.00 0.00 178.31 180.59 1sxe h GLN 177 N 0.11 1.06 0.00 1.51 4.20 -1.20 1.16 115.11 121.95 1sxe h GLN 177 Ca -0.14 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.51 1sxe h GLN 177 Cb 1.93 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 29.47 1sxe h GLN 177 CO 0.21 0.70 0.00 2.89 -0.67 0.00 0.00 178.83 181.96 1sxe n ARG 178 N -4.48 0.31 0.00 1.46 1.85 -1.13 -3.36 116.66 111.32 1sxe n ARG 178 Ca 0.14 0.10 0.00 0.00 -1.00 0.00 0.00 57.85 57.08 1sxe n ARG 178 Cb 0.17 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.08 1sxe n ARG 178 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1sxe n LEU 179 N -1.23 0.58 -3.23 2.89 4.77 0.43 -5.02 117.00 116.19 1sxe n LEU 179 Ca 0.09 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.10 1sxe n LEU 179 Cb 0.12 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1sxe n LEU 179 CO 0.12 0.10 0.19 -0.89 -1.33 0.00 0.00 177.39 175.58 1sxe s THR 180 N -1.79 -0.98 0.99 -5.08 2.01 0.37 -4.53 115.64 106.63 1sxe s THR 180 Ca 0.00 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 61.85 1sxe s THR 180 Cb 0.00 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.53 1sxe s THR 180 CO 0.00 0.00 0.10 -2.65 -0.69 0.00 0.00 174.62 171.38 1sxe n PRO 181 N 5.43 -0.48 -0.31 4.92 -0.02 -1.23 -3.36 135.00 139.95 1sxe n PRO 181 Ca -0.03 -0.11 0.22 0.00 -2.02 0.00 0.00 63.50 61.56 1sxe n PRO 181 Cb 0.51 -1.68 0.50 0.00 -0.02 0.00 0.00 33.50 32.81 1sxe n PRO 181 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1sxe h SER 182 N -1.56 0.45 -0.70 2.55 0.87 -1.89 0.13 113.55 113.40 1sxe h SER 182 Ca -0.45 0.08 0.14 0.00 -1.23 0.00 0.00 61.79 60.32 1sxe h SER 182 Cb 1.30 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 63.13 1sxe h SER 182 CO 0.33 0.11 -0.21 0.22 -0.53 0.00 0.00 176.83 176.75 1sxe h TYR 183 N 0.41 -0.47 0.00 2.24 3.20 -2.00 0.62 116.97 120.97 1sxe h TYR 183 Ca 0.57 0.07 -0.26 0.00 3.14 0.00 0.00 58.73 62.25 1sxe h TYR 183 Cb 1.43 0.32 -0.05 0.00 1.54 0.00 0.00 36.73 39.98 1sxe h TYR 183 CO -0.00 -0.32 -1.74 0.09 -1.64 0.00 0.00 178.16 174.55 1sxe n ASN 184 N -5.47 0.70 -0.04 -2.11 4.13 0.27 -3.19 115.26 109.54 1sxe n ASN 184 Ca 0.09 0.32 -0.08 0.00 1.68 0.00 0.00 54.58 56.59 1sxe n ASN 184 Cb 0.37 0.24 -0.02 0.00 -1.54 0.00 0.00 39.78 38.83 1sxe n ASN 184 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1sxe h ALA 185 N 1.16 0.12 -0.54 5.41 0.00 -0.38 -0.09 119.26 124.95 1sxe h ALA 185 Ca -0.28 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1sxe h ALA 185 Cb 1.89 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.84 1sxe h ALA 185 CO 0.06 -0.49 0.21 -0.44 0.00 0.00 0.00 179.25 178.58 1sxe h ASP 186 N -0.03 0.75 -0.06 0.00 3.32 0.10 0.29 116.42 120.80 1sxe h ASP 186 Ca 0.10 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 56.99 1sxe h ASP 186 Cb 0.18 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1sxe h ASP 186 CO -0.23 0.72 -0.29 0.40 -1.72 0.00 0.00 179.24 178.13 1sxe h ILE 187 N 0.73 0.00 -0.33 0.35 1.08 -1.40 -1.16 117.51 116.79 1sxe h ILE 187 Ca 0.18 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.70 1sxe h ILE 187 Cb 0.21 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 33.92 1sxe h ILE 187 CO -0.01 0.00 0.05 -0.07 -0.69 0.00 0.00 178.15 177.42 1sxe h LEU 188 N -0.32 -0.03 0.15 1.44 3.38 -0.90 -1.92 115.31 117.11 1sxe h LEU 188 Ca 0.01 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1sxe h LEU 188 Cb 0.37 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1sxe h LEU 188 CO -0.22 0.02 -0.07 0.25 0.09 0.00 0.00 178.44 178.50 1sxe h LEU 189 N 0.15 -0.17 -1.72 1.67 5.85 -0.89 0.68 115.31 120.87 1sxe h LEU 189 Ca 0.16 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.56 1sxe h LEU 189 Cb 0.19 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1sxe h LEU 189 CO -0.22 0.31 0.25 0.77 -0.34 0.00 0.00 178.44 179.20 1sxe h SER 190 N -0.70 0.31 0.27 1.25 4.64 -1.19 0.18 113.55 118.30 1sxe h SER 190 Ca -0.02 -0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.13 1sxe h SER 190 Cb 0.51 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1sxe h SER 190 CO 0.03 0.21 -0.66 0.45 -0.87 0.00 0.00 176.83 176.00 1sxe h HIS 191 N 0.36 0.48 -0.60 4.77 3.86 -1.22 -2.06 115.15 120.75 1sxe h HIS 191 Ca 0.15 -0.20 -0.09 0.00 -1.16 0.00 0.00 60.37 59.07 1sxe h HIS 191 Cb 0.15 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 1sxe h HIS 191 CO -0.00 0.92 0.00 1.25 0.86 0.00 0.00 177.93 180.96 1sxe h LEU 192 N 0.26 1.03 -0.20 2.43 5.85 0.14 0.25 115.31 125.07 1sxe h LEU 192 Ca -0.02 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1sxe h LEU 192 Cb 1.21 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1sxe h LEU 192 CO 0.11 1.08 0.00 1.41 -0.34 0.00 0.00 178.44 180.71 1sxe n HIS 193 N -4.20 0.39 -0.05 1.25 8.25 0.39 -0.90 115.22 120.34 1sxe n HIS 193 Ca 0.03 0.14 -0.21 0.00 -0.26 0.00 0.00 57.72 57.41 1sxe n HIS 193 Cb 0.34 -0.72 -0.13 0.00 1.12 0.00 0.00 29.99 30.60 1sxe n HIS 193 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1sxe n TYR 194 N -1.84 0.89 -0.22 4.41 9.36 -0.66 -3.46 117.16 125.63 1sxe n TYR 194 Ca 0.04 0.23 -0.04 0.00 3.32 0.00 0.00 57.90 61.45 1sxe n TYR 194 Cb 0.27 -1.11 0.06 0.00 -0.63 0.00 0.00 39.34 37.93 1sxe n TYR 194 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1sxe h LEU 195 N -0.20 0.64 0.00 2.98 3.38 -0.40 -2.45 115.31 119.26 1sxe h LEU 195 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1sxe h LEU 195 Cb 1.85 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.47 1sxe h LEU 195 CO -0.03 0.44 0.00 -1.14 0.09 0.00 0.00 178.44 177.80 1sxe n ARG 196 N -4.71 0.69 0.26 1.13 0.63 -0.08 -2.40 116.66 112.18 1sxe n ARG 196 Ca 0.06 0.01 0.17 0.00 -0.92 0.00 0.00 57.85 57.18 1sxe n ARG 196 Cb 0.08 -1.50 0.81 0.00 0.45 0.00 0.00 32.46 32.30 1sxe n ARG 196 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1sxe h GLU 197 N 0.00 0.00 -3.13 -0.14 4.39 -1.46 -3.27 114.58 110.97 1sxe h GLU 197 Ca 0.00 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.06 1sxe h GLU 197 Cb 0.06 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.31 1sxe h GLU 197 CO 0.00 0.00 -0.43 0.25 -1.16 0.00 0.00 179.01 177.67 1sxe n THR 198 N -2.85 2.06 -1.73 1.13 -2.24 -1.01 -5.10 114.28 104.55 1sxe n THR 198 Ca -0.01 -4.95 -0.39 0.00 -2.27 0.00 0.00 64.05 56.43 1sxe n THR 198 Cb 0.19 -2.24 0.04 0.00 -2.10 0.00 0.00 70.33 66.21 1sxe n THR 198 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1sxe n PRO 199 N 2.02 1.78 -2.41 -0.78 -0.04 -1.23 -4.10 135.00 130.23 1sxe n PRO 199 Ca 0.21 0.65 -0.41 0.00 -0.04 0.00 0.00 63.50 63.90 1sxe n PRO 199 Cb 0.36 -2.54 -0.04 0.00 -0.04 0.00 0.00 33.50 31.24 1sxe n PRO 199 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1sxe s LEU 200 N -2.99 4.47 0.00 1.53 -0.00 -1.26 -4.87 118.68 115.56 1sxe s LEU 200 Ca 0.69 2.23 0.02 0.00 -0.00 0.00 0.00 54.13 57.07 1sxe s LEU 200 Cb -0.43 -3.61 0.15 0.00 -0.00 0.00 0.00 46.19 42.29 1sxe s LEU 200 CO 0.52 -0.31 0.63 -2.65 -0.00 0.00 0.00 176.35 174.54