#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqj s SER 103 N 0.00 3.58 -0.27 1.61 0.01 -1.26 -5.11 113.70 112.26 2cqj s SER 103 Ca 0.00 -1.38 -0.24 0.00 1.31 0.00 0.00 55.95 55.64 2cqj s SER 103 Cb 0.00 -0.30 -0.00 0.00 0.21 0.00 0.00 66.02 65.92 2cqj s SER 103 CO 0.00 -0.50 0.79 -0.55 0.41 0.00 0.00 173.24 173.39 2cqj s SER 104 N -3.67 6.74 0.00 2.44 0.15 -1.26 -4.89 113.70 113.21 2cqj s SER 104 Ca 0.34 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.85 2cqj s SER 104 Cb 0.09 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 2cqj s SER 104 CO 0.17 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.68 2cqj n GLY 105 N 3.97 1.59 2.69 9.45 0.00 -1.26 -5.15 105.19 116.49 2cqj n GLY 105 Ca 0.04 0.25 -0.20 0.00 0.00 0.00 0.00 46.02 46.12 2cqj n GLY 105 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqj s SER 106 N 2.00 1.02 -0.66 1.61 0.01 -1.26 -5.10 113.70 111.32 2cqj s SER 106 Ca 0.00 0.06 -0.09 0.00 1.31 0.00 0.00 55.95 57.24 2cqj s SER 106 Cb 0.00 -0.15 0.17 0.00 0.21 0.00 0.00 66.02 66.25 2cqj s SER 106 CO 0.00 -0.23 0.54 -0.55 0.41 0.00 0.00 173.24 173.41 2cqj s SER 107 N 2.00 5.91 0.23 2.44 0.15 -1.26 -5.06 113.70 118.10 2cqj s SER 107 Ca 0.03 -2.56 0.06 0.00 0.70 0.00 0.00 55.95 54.18 2cqj s SER 107 Cb -0.12 -2.03 -0.04 0.00 -1.71 0.00 0.00 66.02 62.13 2cqj s SER 107 CO -0.03 -0.53 0.22 -0.83 1.20 0.00 0.00 173.24 173.27 2cqj s GLY 108 N 1.74 1.46 0.09 9.45 0.00 -1.26 -4.47 107.32 114.32 2cqj s GLY 108 Ca 0.14 -1.32 0.02 0.00 0.00 0.00 0.00 44.72 43.56 2cqj s GLY 108 CO -0.05 -1.35 -0.06 0.50 0.00 0.00 0.00 173.10 172.14 2cqj s ARG 109 N -3.68 0.79 0.38 2.90 0.52 -0.25 -4.74 118.95 114.87 2cqj s ARG 109 Ca 0.33 -1.28 -0.28 0.00 -0.52 0.00 0.00 55.73 53.98 2cqj s ARG 109 Cb -0.09 -0.18 -0.10 0.00 0.52 0.00 0.00 34.95 35.10 2cqj s ARG 109 CO 0.25 -0.02 1.44 1.03 0.02 0.00 0.00 175.30 178.03 2cqj s ARG 110 N -3.67 4.10 0.25 3.54 0.52 -1.26 0.51 118.95 122.95 2cqj s ARG 110 Ca 0.10 2.48 -0.03 0.00 -0.52 0.00 0.00 55.73 57.76 2cqj s ARG 110 Cb 0.04 -2.94 0.42 0.00 0.52 0.00 0.00 34.95 32.99 2cqj s ARG 110 CO -0.05 -0.50 1.83 1.25 0.02 0.00 0.00 175.30 177.85 2cqj h LEU 111 N 2.98 0.79 -0.83 2.53 5.85 -0.85 -1.91 115.31 123.87 2cqj h LEU 111 Ca -0.50 0.04 0.11 0.00 0.84 0.00 0.00 57.88 58.36 2cqj h LEU 111 Cb 1.24 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 42.07 2cqj h LEU 111 CO 0.64 0.46 0.46 -0.65 -0.34 0.00 0.00 178.44 179.01 2cqj h PRO 112 N 0.90 0.72 -0.25 5.25 0.11 -1.87 0.46 132.00 137.33 2cqj h PRO 112 Ca 0.42 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.40 2cqj h PRO 112 Cb 0.34 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.29 2cqj h PRO 112 CO -0.23 0.48 -0.20 1.15 -0.21 0.00 0.00 178.00 178.98 2cqj h THR 113 N 0.74 1.31 -0.41 -1.15 2.02 -1.72 -2.31 112.91 111.39 2cqj h THR 113 Ca 0.42 -1.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.22 2cqj h THR 113 Cb 0.45 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 2cqj h THR 113 CO -0.28 0.42 0.11 0.58 0.37 0.00 0.00 175.52 176.71 2cqj h VAL 114 N 0.28 1.18 -0.20 3.16 2.07 -0.91 -1.89 116.25 119.95 2cqj h VAL 114 Ca 0.04 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 66.86 2cqj h VAL 114 Cb 0.75 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2cqj h VAL 114 CO 0.05 0.24 -0.12 -0.07 0.02 0.00 0.00 177.57 177.68 2cqj h LEU 115 N 0.59 0.46 -0.87 2.57 3.38 -0.85 -1.77 115.31 118.83 2cqj h LEU 115 Ca 0.14 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 2cqj h LEU 115 Cb 0.22 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2cqj h LEU 115 CO -0.00 0.79 0.52 -0.07 0.09 0.00 0.00 178.44 179.77 2cqj h LEU 116 N 0.13 1.04 -0.60 1.67 3.38 -1.16 0.33 115.31 120.10 2cqj h LEU 116 Ca 0.04 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 2cqj h LEU 116 Cb 0.63 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2cqj h LEU 116 CO 0.03 0.80 -0.06 0.50 0.09 0.00 0.00 178.44 179.80 2cqj h LYS 117 N 1.19 1.04 -0.88 1.13 3.11 -1.31 -2.40 116.57 118.46 2cqj h LYS 117 Ca 0.31 -0.36 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 2cqj h LYS 117 Cb -0.05 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.10 2cqj h LYS 117 CO -0.06 1.06 0.00 1.28 -2.81 0.00 0.00 179.45 178.92 2cqj n LEU 118 N -4.16 1.56 -2.39 5.20 4.77 -0.67 -4.83 117.00 116.49 2cqj n LEU 118 Ca 0.02 -0.79 -0.09 0.00 -0.03 0.00 0.00 56.01 55.12 2cqj n LEU 118 Cb 0.38 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 2cqj n LEU 118 CO 0.45 0.29 -0.12 0.54 -1.33 0.00 0.00 177.39 177.22 2cqj n ARG 119 N 0.06 -2.35 0.05 3.23 1.74 -0.90 -4.80 116.66 113.69 2cqj n ARG 119 Ca 0.04 0.45 -0.08 0.00 -0.77 0.00 0.00 57.85 57.49 2cqj n ARG 119 Cb 0.36 -5.00 -0.12 0.00 -1.02 0.00 0.00 32.46 26.67 2cqj n ARG 119 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 2cqj h MET 120 N 0.00 0.02 -5.39 5.56 2.86 -0.56 -3.47 114.93 113.95 2cqj h MET 120 Ca -0.22 -0.04 -0.58 0.00 -2.06 0.00 0.00 59.70 56.80 2cqj h MET 120 Cb 1.13 0.01 -0.13 0.00 0.06 0.00 0.00 31.60 32.67 2cqj h MET 120 CO 0.26 0.95 -0.58 0.00 1.06 0.00 0.00 176.91 178.60 2cqj s ALA 121 N -2.69 3.07 -0.05 6.32 0.00 -1.19 -4.99 121.76 122.24 2cqj s ALA 121 Ca -0.00 -1.79 -0.03 0.00 0.00 0.00 0.00 51.96 50.14 2cqj s ALA 121 Cb 0.09 0.35 -0.01 0.00 0.00 0.00 0.00 23.12 23.55 2cqj s ALA 121 CO 0.82 -0.18 -0.05 1.96 0.00 0.00 0.00 175.76 178.31 2cqj h GLN 122 N 1.80 0.00 -5.33 0.00 1.08 -1.91 -3.44 115.11 107.30 2cqj h GLN 122 Ca -0.42 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.25 2cqj h GLN 122 Cb 1.26 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 28.55 2cqj h GLN 122 CO 0.74 0.00 -0.60 -3.38 -0.95 0.00 0.00 178.83 174.64 2cqj s HIS 123 N -1.43 2.10 0.22 2.96 -3.43 -1.26 -5.01 115.29 109.44 2cqj s HIS 123 Ca -0.04 -0.90 -0.08 0.00 -0.80 0.00 0.00 55.06 53.24 2cqj s HIS 123 Cb 0.01 -1.42 0.33 0.00 -1.43 0.00 0.00 32.58 30.06 2cqj s HIS 123 CO 0.07 0.12 1.73 1.25 -2.00 0.00 0.00 174.74 175.91 2cqj h LEU 124 N 1.99 0.21 -1.21 5.38 5.85 -1.96 0.20 115.31 125.77 2cqj h LEU 124 Ca -0.41 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.36 2cqj h LEU 124 Cb 1.25 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 2cqj h LEU 124 CO 0.72 0.11 0.18 -0.61 -0.34 0.00 0.00 178.44 178.51 2cqj h GLN 125 N 0.40 0.73 -0.21 1.25 -0.00 -1.99 -0.78 115.11 114.52 2cqj h GLN 125 Ca 0.34 -0.11 -0.05 0.00 -0.00 0.00 0.00 58.65 58.83 2cqj h GLN 125 Cb 0.45 -0.13 -0.01 0.00 0.00 0.00 0.00 27.48 27.80 2cqj h GLN 125 CO -0.35 0.62 -0.05 0.00 0.00 0.00 0.00 178.83 179.06 2cqj h ALA 126 N 1.48 0.29 -0.52 3.38 0.00 -1.43 -1.01 119.26 121.46 2cqj h ALA 126 Ca 0.17 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2cqj h ALA 126 Cb 0.17 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2cqj h ALA 126 CO -0.01 0.06 0.13 0.00 0.00 0.00 0.00 179.25 179.43 2cqj h ALA 127 N 0.74 0.68 -0.27 0.00 0.00 -0.85 -1.56 119.26 118.01 2cqj h ALA 127 Ca 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2cqj h ALA 127 Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2cqj h ALA 127 CO 0.02 0.37 0.09 0.28 0.00 0.00 0.00 179.25 180.01 2cqj h VAL 128 N 0.72 1.20 -0.59 0.00 2.07 -1.13 -2.27 116.25 116.26 2cqj h VAL 128 Ca 0.16 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2cqj h VAL 128 Cb 0.32 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 2cqj h VAL 128 CO 0.00 0.21 0.38 0.00 0.02 0.00 0.00 177.57 178.18 2cqj h ALA 129 N 0.92 0.74 -0.62 1.67 0.00 -1.09 -1.98 119.26 118.90 2cqj h ALA 129 Ca 0.09 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2cqj h ALA 129 Cb 0.24 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2cqj h ALA 129 CO -0.00 0.19 0.38 0.74 0.00 0.00 0.00 179.25 180.55 2cqj h PHE 130 N 0.79 0.71 -0.75 0.00 0.04 -1.16 -0.88 116.94 115.69 2cqj h PHE 130 Ca 0.21 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.98 2cqj h PHE 130 Cb -0.08 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 37.80 2cqj h PHE 130 CO -0.03 0.40 0.36 0.28 -0.60 0.00 0.00 178.31 178.72 2cqj h VAL 131 N 0.75 1.24 -0.13 -0.55 2.07 -1.04 0.51 116.25 119.09 2cqj h VAL 131 Ca 0.25 -0.67 -0.11 0.00 0.82 0.00 0.00 66.70 67.00 2cqj h VAL 131 Cb 0.02 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 2cqj h VAL 131 CO -0.10 0.28 -0.40 -0.33 0.02 0.00 0.00 177.57 177.04 2cqj h GLU 132 N 1.07 0.30 -0.46 1.57 5.08 -0.72 -2.43 114.58 118.99 2cqj h GLU 132 Ca 0.26 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2cqj h GLU 132 Cb 0.11 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2cqj h GLU 132 CO -0.03 0.65 0.00 1.04 -1.00 0.00 0.00 179.01 179.67 2cqj n GLN 133 N -4.03 1.88 -3.74 2.33 6.02 -0.39 -4.90 117.38 114.54 2cqj n GLN 133 Ca -0.01 -1.02 -0.24 0.00 -0.01 0.00 0.00 57.00 55.72 2cqj n GLN 133 Cb 0.48 -1.40 0.04 0.00 1.02 0.00 0.00 30.24 30.38 2cqj n GLN 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2cqj n GLY 134 N 0.69 -0.37 0.08 1.08 0.00 -0.91 -4.89 105.19 100.87 2cqj n GLY 134 Ca 0.09 0.15 -0.04 0.00 0.00 0.00 0.00 46.02 46.22 2cqj n GLY 134 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2cqj n HIS 135 N -4.43 0.48 -5.02 1.61 8.25 0.12 -4.72 115.22 111.50 2cqj n HIS 135 Ca -0.18 0.17 -0.32 0.00 -0.26 0.00 0.00 57.72 57.13 2cqj n HIS 135 Cb 0.63 -1.00 -0.14 0.00 1.12 0.00 0.00 29.99 30.59 2cqj n HIS 135 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2cqj s VAL 136 N -2.75 2.68 0.13 1.59 1.01 -1.26 -0.91 120.40 120.89 2cqj s VAL 136 Ca -0.07 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.06 2cqj s VAL 136 Cb 0.08 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2cqj s VAL 136 CO 0.83 0.57 -0.10 0.00 0.00 0.00 0.00 175.10 176.40 2cqj s ARG 137 N -0.74 0.99 -0.25 2.72 1.70 -0.19 -4.10 118.95 119.09 2cqj s ARG 137 Ca 0.11 -1.35 0.03 0.00 -0.47 0.00 0.00 55.73 54.05 2cqj s ARG 137 Cb -0.10 -0.61 0.06 0.00 -0.57 0.00 0.00 34.95 33.72 2cqj s ARG 137 CO 0.00 0.08 -0.12 0.08 -1.08 0.00 0.00 175.30 174.26 2cqj s VAL 138 N -3.01 2.16 0.00 4.99 1.01 -0.55 -2.04 120.40 122.96 2cqj s VAL 138 Ca 0.13 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 60.55 2cqj s VAL 138 Cb 0.01 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.16 2cqj s VAL 138 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.75 2cqj n GLY 139 N 4.45 1.18 0.00 4.51 0.00 0.16 -1.69 105.19 113.79 2cqj n GLY 139 Ca -0.15 -0.57 0.05 0.00 0.00 0.00 0.00 46.02 45.35 2cqj n GLY 139 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cqj n PRO 140 N 1.60 0.49 -4.69 1.61 -0.04 -1.26 -4.58 135.00 128.13 2cqj n PRO 140 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 2cqj n PRO 140 Cb 0.00 -1.33 -0.17 0.00 -0.04 0.00 0.00 33.50 31.96 2cqj n PRO 140 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2cqj s ASP 141 N -1.84 2.92 -0.21 3.54 1.11 -0.68 -5.11 116.67 116.40 2cqj s ASP 141 Ca 0.15 -0.55 -0.19 0.00 0.18 0.00 0.00 52.55 52.14 2cqj s ASP 141 Cb 0.07 -1.34 -0.03 0.00 1.07 0.00 0.00 42.92 42.69 2cqj s ASP 141 CO 0.12 0.07 0.55 -0.69 1.18 0.00 0.00 175.17 176.40 2cqj s VAL 142 N 0.80 5.08 -0.10 -1.27 1.01 -1.26 -1.48 120.40 123.16 2cqj s VAL 142 Ca -0.09 1.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.82 2cqj s VAL 142 Cb -0.16 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 2cqj s VAL 142 CO -0.00 0.15 0.22 -0.69 0.00 0.00 0.00 175.10 174.77 2cqj s VAL 143 N 1.79 5.37 -0.03 2.92 1.01 -1.26 -4.92 120.40 125.28 2cqj s VAL 143 Ca 0.25 0.38 0.08 0.00 0.00 0.00 0.00 61.98 62.70 2cqj s VAL 143 Cb -0.16 -3.50 -0.13 0.00 0.00 0.00 0.00 36.38 32.60 2cqj s VAL 143 CO 0.10 0.57 0.15 0.35 0.00 0.00 0.00 175.10 176.27 2cqj n THR 144 N 2.24 0.14 -3.97 3.92 -2.24 -1.26 -4.68 114.28 108.43 2cqj n THR 144 Ca -0.17 -0.23 -0.36 0.00 -2.27 0.00 0.00 64.05 61.01 2cqj n THR 144 Cb 0.54 0.03 -0.07 0.00 -2.10 0.00 0.00 70.33 68.73 2cqj n THR 144 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2cqj s ASP 145 N -3.25 6.09 0.30 3.42 2.15 -1.26 -2.61 116.67 121.51 2cqj s ASP 145 Ca -0.03 0.36 0.08 0.00 0.43 0.00 0.00 52.55 53.38 2cqj s ASP 145 Cb 0.05 -1.95 0.45 0.00 -0.30 0.00 0.00 42.92 41.17 2cqj s ASP 145 CO 0.35 0.37 1.68 1.55 -0.17 0.00 0.00 175.17 178.96 2cqj h PRO 146 N 5.28 0.15 0.00 4.34 0.13 -1.86 -2.79 132.00 137.25 2cqj h PRO 146 Ca -0.52 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 2cqj h PRO 146 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2cqj h PRO 146 CO 0.60 0.60 0.00 0.00 -0.23 0.00 0.00 178.00 178.96 2cqj n ALA 147 N -2.46 1.15 -1.68 -0.56 0.00 -1.26 -2.55 120.51 113.15 2cqj n ALA 147 Ca -0.02 -0.01 -0.46 0.00 0.00 0.00 0.00 53.44 52.95 2cqj n ALA 147 Cb 0.51 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.89 2cqj n ALA 147 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2cqj n PHE 148 N -1.44 2.34 -3.21 0.00 7.35 -1.05 -4.74 117.46 116.71 2cqj n PHE 148 Ca 0.01 0.12 -0.39 0.00 -0.76 0.00 0.00 57.45 56.43 2cqj n PHE 148 Cb 0.02 -2.61 -0.06 0.00 0.35 0.00 0.00 39.48 37.18 2cqj n PHE 148 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2cqj s LEU 149 N 2.24 4.50 0.02 -2.13 1.43 -1.26 -1.16 118.68 122.33 2cqj s LEU 149 Ca 0.84 1.28 0.06 0.00 -1.03 0.00 0.00 54.13 55.27 2cqj s LEU 149 Cb -0.66 -2.96 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 2cqj s LEU 149 CO 0.42 0.21 -0.17 -0.69 0.23 0.00 0.00 176.35 176.35 2cqj s VAL 150 N -0.80 1.36 0.07 -1.59 1.01 0.18 -4.76 120.40 115.87 2cqj s VAL 150 Ca 0.31 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2cqj s VAL 150 Cb -0.20 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 2cqj s VAL 150 CO 0.19 0.22 0.21 0.28 0.00 0.00 0.00 175.10 176.00 2cqj s THR 151 N -0.64 5.37 0.33 3.92 -1.32 -1.26 -1.09 115.64 120.95 2cqj s THR 151 Ca 0.05 -0.42 0.17 0.00 -1.21 0.00 0.00 61.69 60.28 2cqj s THR 151 Cb -0.07 -3.63 0.33 0.00 -1.51 0.00 0.00 72.50 67.61 2cqj s THR 151 CO 0.01 0.12 1.45 -1.14 -2.21 0.00 0.00 174.62 172.85 2cqj n ARG 152 N 0.23 -0.06 -0.15 7.08 3.00 -1.26 0.17 116.66 125.66 2cqj n ARG 152 Ca -0.05 1.28 -0.08 0.00 -0.00 0.00 0.00 57.85 59.00 2cqj n ARG 152 Cb 0.51 -2.27 0.00 0.00 0.00 0.00 0.00 32.46 30.71 2cqj n ARG 152 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2cqj h SER 153 N 0.00 0.59 0.56 6.15 0.02 -1.97 -2.74 113.55 116.17 2cqj h SER 153 Ca 0.75 -0.13 -0.15 0.00 -0.84 0.00 0.00 61.79 61.41 2cqj h SER 153 Cb 1.93 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 64.30 2cqj h SER 153 CO -0.73 0.56 -0.68 0.24 -1.14 0.00 0.00 176.83 175.08 2cqj h MET 154 N 0.58 0.10 -0.91 3.45 2.86 0.13 -3.21 114.93 117.93 2cqj h MET 154 Ca 0.15 -0.08 0.24 0.00 -2.06 0.00 0.00 59.70 57.95 2cqj h MET 154 Cb 0.13 0.02 -0.13 0.00 0.06 0.00 0.00 31.60 31.67 2cqj h MET 154 CO -0.02 0.74 0.37 0.93 1.06 0.00 0.00 176.91 179.99 2cqj h GLU 155 N 0.07 0.32 0.00 1.72 5.08 -0.08 1.11 114.58 122.80 2cqj h GLU 155 Ca -0.01 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2cqj h GLU 155 Cb 1.21 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2cqj h GLU 155 CO 0.10 0.21 -0.17 -0.44 -1.00 0.00 0.00 179.01 177.71 2cqj h ASP 156 N 0.33 0.00 -0.66 1.42 5.19 -1.57 -2.99 116.42 118.14 2cqj h ASP 156 Ca 0.58 0.00 -0.38 0.00 -0.62 0.00 0.00 57.03 56.62 2cqj h ASP 156 Cb 1.16 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 40.48 2cqj h ASP 156 CO -0.58 0.17 0.48 0.49 -3.12 0.00 0.00 179.24 176.68 2cqj n PHE 157 N -3.29 2.06 -3.59 4.55 3.72 0.38 -4.89 117.46 116.40 2cqj n PHE 157 Ca 0.01 -1.70 -0.38 0.00 -0.05 0.00 0.00 57.45 55.33 2cqj n PHE 157 Cb 0.43 -0.85 -0.10 0.00 -0.94 0.00 0.00 39.48 38.01 2cqj n PHE 157 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2cqj s VAL 158 N -2.50 5.31 0.05 -4.37 1.01 -1.13 0.35 120.40 119.12 2cqj s VAL 158 Ca 0.39 0.21 -0.00 0.00 0.00 0.00 0.00 61.98 62.57 2cqj s VAL 158 Cb 0.32 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 2cqj s VAL 158 CO 0.05 0.27 -0.03 0.28 0.00 0.00 0.00 175.10 175.66 2cqj s THR 159 N 1.57 0.25 0.00 3.92 -1.32 -0.86 -5.00 115.64 114.20 2cqj s THR 159 Ca 0.08 -1.65 -0.26 0.00 -1.21 0.00 0.00 61.69 58.65 2cqj s THR 159 Cb -0.15 -1.30 -0.04 0.00 -1.51 0.00 0.00 72.50 69.49 2cqj s THR 159 CO 0.09 -0.89 0.80 0.26 -2.21 0.00 0.00 174.62 172.67 2cqj s TRP 160 N -3.42 3.67 0.25 9.09 0.52 -1.26 -1.02 118.94 126.77 2cqj s TRP 160 Ca 0.03 1.47 -0.13 0.00 0.02 0.00 0.00 56.10 57.49 2cqj s TRP 160 Cb 0.04 -2.90 0.33 0.00 -1.15 0.00 0.00 33.47 29.80 2cqj s TRP 160 CO -0.08 0.14 1.57 0.28 0.02 0.00 0.00 176.95 178.88 2cqj h VAL 161 N 4.48 0.06 -3.12 4.03 2.07 -1.31 -3.30 116.25 119.15 2cqj h VAL 161 Ca -0.42 0.00 -0.59 0.00 0.82 0.00 0.00 66.70 66.51 2cqj h VAL 161 Cb 1.21 0.06 -0.40 0.00 -1.52 0.00 0.00 31.29 30.64 2cqj h VAL 161 CO 0.73 0.00 -0.76 1.51 0.02 0.00 0.00 177.57 179.08 2cqj s ASP 162 N -5.28 3.97 -0.50 0.57 -4.77 -1.26 -4.98 116.67 104.43 2cqj s ASP 162 Ca -0.14 -1.75 0.03 0.00 -3.30 0.00 0.00 52.55 47.38 2cqj s ASP 162 Cb 0.23 -0.87 0.56 0.00 -1.09 0.00 0.00 42.92 41.75 2cqj s ASP 162 CO 0.75 -0.40 1.87 -1.54 0.70 0.00 0.00 175.17 176.55 2cqj n SER 163 N 4.70 5.04 0.14 2.11 3.41 -1.25 -4.65 113.62 123.12 2cqj n SER 163 Ca -0.01 -3.70 -0.14 0.00 -0.26 0.00 0.00 58.87 54.76 2cqj n SER 163 Cb 0.41 -0.84 -0.08 0.00 -0.26 0.00 0.00 64.21 63.45 2cqj n SER 163 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2cqj h SER 164 N 1.41 -0.24 -0.18 4.04 0.87 -1.93 -3.13 113.55 114.39 2cqj h SER 164 Ca 0.57 -0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 61.07 2cqj h SER 164 Cb 1.94 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 63.96 2cqj h SER 164 CO 1.18 -0.16 -0.09 0.50 -0.53 0.00 0.00 176.83 177.72 2cqj h LYS 165 N -0.29 0.38 -5.72 2.24 3.11 -2.05 -3.45 116.57 110.79 2cqj h LYS 165 Ca -0.03 -0.17 -0.75 0.00 -2.81 0.00 0.00 60.65 56.89 2cqj h LYS 165 Cb 0.22 -0.01 0.05 0.00 -1.00 0.00 0.00 32.23 31.49 2cqj h LYS 165 CO 0.05 0.69 0.03 -0.89 -2.81 0.00 0.00 179.45 176.52 2cqj n ILE 166 N -4.59 0.08 -2.09 2.00 2.08 -1.18 -4.92 119.36 110.73 2cqj n ILE 166 Ca -0.05 -0.02 -0.27 0.00 0.56 0.00 0.00 62.75 62.96 2cqj n ILE 166 Cb 0.32 0.00 0.07 0.00 -0.75 0.00 0.00 39.64 39.27 2cqj n ILE 166 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2cqj s SER 167 N -0.04 4.92 0.00 4.38 1.04 -1.26 -5.02 113.70 117.72 2cqj s SER 167 Ca 0.86 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.97 2cqj s SER 167 Cb -1.20 -1.36 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2cqj s SER 167 CO 0.54 -1.58 0.00 0.61 0.98 0.00 0.00 173.24 173.79 2cqj n GLY 168 N -3.01 -0.06 0.03 7.32 0.00 -1.26 -5.02 105.19 103.20 2cqj n GLY 168 Ca 0.07 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.34 2cqj n GLY 168 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cqj n PRO 169 N 0.00 0.05 -2.96 1.61 -0.04 -1.26 -4.76 135.00 127.64 2cqj n PRO 169 Ca 0.00 0.30 -0.32 0.00 -0.04 0.00 0.00 63.50 63.44 2cqj n PRO 169 Cb 0.00 -1.60 -0.06 0.00 -0.04 0.00 0.00 33.50 31.81 2cqj n PRO 169 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cqj s SER 170 N -3.32 6.77 -0.01 3.54 0.01 -1.26 -5.08 113.70 114.35 2cqj s SER 170 Ca 0.06 1.39 0.01 0.00 1.31 0.00 0.00 55.95 58.72 2cqj s SER 170 Cb 0.09 -2.42 0.01 0.00 0.21 0.00 0.00 66.02 63.91 2cqj s SER 170 CO 0.29 -0.30 -0.01 -0.94 0.41 0.00 0.00 173.24 172.68 2cqj s SER 171 N -2.43 0.34 0.00 2.44 1.04 -1.26 -5.23 113.70 108.61 2cqj s SER 171 Ca 0.56 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.96 2cqj s SER 171 Cb -0.10 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 65.91 2cqj s SER 171 CO 0.19 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 175.00