#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jun n GLU 115 N 0.00 -2.48 -3.12 0.00 1.02 -1.26 -4.96 120.64 109.84 2jun n GLU 115 Ca 0.00 2.14 -0.39 0.00 -0.02 0.00 0.00 57.16 58.89 2jun n GLU 115 Cb 0.00 -5.12 -0.06 0.00 -0.02 0.00 0.00 31.44 26.24 2jun n GLU 115 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2jun s LYS 116 N -2.38 4.39 0.04 3.49 1.02 -1.26 -5.05 119.74 119.99 2jun s LYS 116 Ca 0.21 0.94 -0.22 0.00 0.02 0.00 0.00 55.97 56.92 2jun s LYS 116 Cb -0.05 -3.27 -0.06 0.00 -0.52 0.00 0.00 37.83 33.93 2jun s LYS 116 CO 0.76 0.54 0.67 0.54 -0.92 0.00 0.00 175.35 176.95 2jun s VAL 117 N -0.91 4.77 0.14 3.17 0.11 -1.26 -5.06 120.40 121.36 2jun s VAL 117 Ca 0.33 1.42 -0.11 0.00 -2.93 0.00 0.00 61.98 60.68 2jun s VAL 117 Cb -0.21 -4.01 -0.06 0.00 -1.53 0.00 0.00 36.38 30.56 2jun s VAL 117 CO 0.22 0.43 0.49 -0.76 -3.33 0.00 0.00 175.10 172.15 2jun s LEU 118 N -0.36 4.31 -0.46 2.54 1.43 -1.26 -2.27 118.68 122.61 2jun s LEU 118 Ca 0.34 0.93 -0.26 0.00 -1.03 0.00 0.00 54.13 54.10 2jun s LEU 118 Cb -0.20 -3.24 -0.07 0.00 0.03 0.00 0.00 46.19 42.71 2jun s LEU 118 CO 0.20 0.09 2.40 0.00 0.23 0.00 0.00 176.35 179.28 2jun h GLN 120 N 19.09 0.00 -1.09 0.00 4.15 -1.87 -2.48 115.11 132.91 2jun h GLN 120 Ca -0.26 0.00 -0.59 0.00 0.77 0.00 0.00 58.65 58.57 2jun h GLN 120 Cb 1.27 0.00 -0.26 0.00 0.21 0.00 0.00 27.48 28.69 2jun h GLN 120 CO 1.14 0.13 0.77 1.19 -1.93 0.00 0.00 178.83 180.13 2jun n PHE 121 N -3.77 2.89 -4.66 3.99 3.01 -1.26 -4.92 117.46 112.74 2jun n PHE 121 Ca -0.02 -2.69 -0.31 0.00 1.01 0.00 0.00 57.45 55.44 2jun n PHE 121 Cb 0.24 -1.30 -0.12 0.00 -0.01 0.00 0.00 39.48 38.28 2jun n PHE 121 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2jun n ASP 123 N 1.59 3.15 -0.11 0.00 2.03 -1.26 -4.84 116.55 117.11 2jun n ASP 123 Ca -0.16 -3.03 -0.22 0.00 0.52 0.00 0.00 54.79 51.90 2jun n ASP 123 Cb 0.52 -0.45 -0.11 0.00 -0.72 0.00 0.00 41.12 40.36 2jun n ASP 123 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jun n GLN 124 N -0.48 0.56 -2.79 -0.67 6.02 -1.26 -5.05 117.38 113.72 2jun n GLN 124 Ca 0.25 0.54 -0.02 0.00 -0.01 0.00 0.00 57.00 57.76 2jun n GLN 124 Cb 0.82 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 30.37 2jun n GLN 124 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2jun n ASP 125 N -4.42 -7.91 -4.77 1.08 -0.08 -1.26 -4.79 116.55 94.40 2jun n ASP 125 Ca -0.34 1.20 -0.31 0.00 -1.51 0.00 0.00 54.79 53.82 2jun n ASP 125 Cb 0.69 -5.06 0.09 0.00 2.34 0.00 0.00 41.12 39.18 2jun n ASP 125 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 2jun s PRO 126 N -1.77 2.33 0.43 -0.67 0.04 -1.26 -5.17 135.00 128.92 2jun s PRO 126 Ca 0.05 1.20 0.02 0.00 0.04 0.00 0.00 61.00 62.31 2jun s PRO 126 Cb -0.01 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 32.62 2jun s PRO 126 CO 0.73 -1.59 0.63 0.00 0.04 0.00 0.00 177.00 176.81 2jun s ALA 127 N -2.82 3.91 0.76 8.56 0.00 -1.26 -4.99 121.76 125.91 2jun s ALA 127 Ca 0.62 -1.20 -0.03 0.00 0.00 0.00 0.00 51.96 51.35 2jun s ALA 127 Cb -0.18 -2.01 0.14 0.00 0.00 0.00 0.00 23.12 21.08 2jun s ALA 127 CO 0.54 -0.33 1.04 -1.14 0.00 0.00 0.00 175.76 175.87 2jun s GLN 128 N -4.48 1.52 0.02 0.00 0.74 -1.26 -4.91 119.66 111.29 2jun s GLN 128 Ca 0.49 -1.06 0.01 0.00 0.05 0.00 0.00 55.36 54.85 2jun s GLN 128 Cb -0.10 -2.27 -0.04 0.00 1.10 0.00 0.00 33.01 31.70 2jun s GLN 128 CO 0.36 -1.59 0.07 0.16 -0.55 0.00 0.00 175.29 173.74 2jun s ASP 129 N -4.77 5.54 -0.20 6.67 1.47 -1.26 -0.46 116.67 123.65 2jun s ASP 129 Ca 0.68 0.07 -0.29 0.00 1.18 0.00 0.00 52.55 54.19 2jun s ASP 129 Cb -0.05 -1.53 -0.00 0.00 -0.34 0.00 0.00 42.92 40.99 2jun s ASP 129 CO 0.46 0.24 1.19 0.00 0.68 0.00 0.00 175.17 177.74 2jun s ALA 130 N -1.23 3.64 -0.08 2.11 0.00 -0.96 -4.37 121.76 120.86 2jun s ALA 130 Ca 0.24 0.32 0.08 0.00 0.00 0.00 0.00 51.96 52.61 2jun s ALA 130 Cb -0.12 -3.62 -0.11 0.00 0.00 0.00 0.00 23.12 19.27 2jun s ALA 130 CO 0.16 -1.21 0.05 1.33 0.00 0.00 0.00 175.76 176.09 2jun n VAL 131 N 5.46 0.55 -4.29 0.00 0.24 -1.10 -4.67 118.33 114.52 2jun n VAL 131 Ca 0.13 -0.36 -0.26 0.00 -2.04 0.00 0.00 64.34 61.81 2jun n VAL 131 Cb 0.45 -0.66 -0.08 0.00 -1.47 0.00 0.00 33.84 32.09 2jun n VAL 131 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2jun s LYS 132 N -2.26 2.15 -0.22 7.34 1.02 -1.06 -4.41 119.74 122.30 2jun s LYS 132 Ca -0.04 -1.95 -0.12 0.00 0.02 0.00 0.00 55.97 53.87 2jun s LYS 132 Cb 0.03 -1.87 0.07 0.00 -0.52 0.00 0.00 37.83 35.54 2jun s LYS 132 CO 0.37 -0.13 0.53 0.99 -0.92 0.00 0.00 175.35 176.19 2jun s THR 133 N -2.65 -0.06 -0.15 2.17 2.01 -1.26 -2.14 115.64 113.55 2jun s THR 133 Ca 0.37 0.06 -0.14 0.00 0.31 0.00 0.00 61.69 62.29 2jun s THR 133 Cb 0.05 -0.78 -0.05 0.00 0.01 0.00 0.00 72.50 71.73 2jun s THR 133 CO 0.20 0.02 0.30 0.00 -0.69 0.00 0.00 174.62 174.45 2jun h VAL 135 N 4.64 1.32 -0.04 0.00 2.07 -0.77 -0.40 116.25 123.08 2jun h VAL 135 Ca -0.42 -1.31 0.01 0.00 0.82 0.00 0.00 66.70 65.81 2jun h VAL 135 Cb 1.17 2.17 -0.00 0.00 -1.52 0.00 0.00 31.29 33.11 2jun h VAL 135 CO 0.75 0.32 0.13 0.74 0.02 0.00 0.00 177.57 179.54 2jun h THR 136 N -0.65 0.14 0.00 2.57 2.02 -1.95 0.21 112.91 115.26 2jun h THR 136 Ca -0.01 0.00 -0.28 0.00 0.77 0.00 0.00 66.41 66.89 2jun h THR 136 Cb 0.57 0.88 -0.05 0.00 -1.74 0.00 0.00 68.15 67.81 2jun h THR 136 CO 0.01 0.00 -1.81 0.00 0.37 0.00 0.00 175.52 174.09 2jun n GLU 138 N -2.94 -3.07 -3.80 0.00 2.13 0.73 -5.01 120.64 108.69 2jun n GLU 138 Ca -0.19 0.63 -0.12 0.00 0.66 0.00 0.00 57.16 58.14 2jun n GLU 138 Cb 1.03 -4.90 -0.09 0.00 0.27 0.00 0.00 31.44 27.76 2jun n GLU 138 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2jun s VAL 139 N -2.94 0.07 -0.27 6.31 1.01 -1.14 -5.06 120.40 118.38 2jun s VAL 139 Ca 0.18 -0.60 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 2jun s VAL 139 Cb -0.08 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 2jun s VAL 139 CO 0.22 -0.33 0.13 -0.55 0.00 0.00 0.00 175.10 174.57 2jun s SER 140 N -1.53 5.53 0.49 3.32 0.15 -1.26 -2.58 113.70 117.82 2jun s SER 140 Ca -0.12 -0.22 0.02 0.00 0.70 0.00 0.00 55.95 56.33 2jun s SER 140 Cb -0.05 -2.01 -0.01 0.00 -1.71 0.00 0.00 66.02 62.25 2jun s SER 140 CO 0.02 -0.08 0.06 -1.22 1.20 0.00 0.00 173.24 173.21 2jun n TYR 141 N 4.99 0.82 -3.22 3.44 4.01 -0.91 -4.74 117.16 121.54 2jun n TYR 141 Ca -0.15 -2.63 -0.22 0.00 -0.16 0.00 0.00 57.90 54.75 2jun n TYR 141 Cb 0.51 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 2jun n TYR 141 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jun h ASP 143 N 0.62 0.49 0.10 0.00 1.82 -1.92 0.20 116.42 117.73 2jun h ASP 143 Ca -0.47 0.12 0.01 0.00 -0.39 0.00 0.00 57.03 56.30 2jun h ASP 143 Cb 1.25 0.06 -0.03 0.00 0.68 0.00 0.00 39.33 41.29 2jun h ASP 143 CO 0.56 0.12 -0.35 -0.08 -1.61 0.00 0.00 179.24 177.89 2jun h GLU 144 N 0.54 -0.49 -0.27 0.28 4.22 -1.94 0.17 114.58 117.10 2jun h GLU 144 Ca 0.54 0.03 0.01 0.00 0.08 0.00 0.00 59.36 60.01 2jun h GLU 144 Cb 0.91 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 2jun h GLU 144 CO -0.45 -0.33 0.18 0.00 -2.18 0.00 0.00 179.01 176.24 2jun h LEU 146 N 0.35 0.81 -0.55 0.00 7.12 0.95 0.24 115.31 124.23 2jun h LEU 146 Ca 0.10 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.14 2jun h LEU 146 Cb -0.02 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 39.97 2jun h LEU 146 CO -0.02 0.50 0.00 0.50 -0.13 0.00 0.00 178.44 179.28 2jun h LYS 147 N 0.93 0.00 0.40 1.25 3.64 0.42 0.13 116.57 123.34 2jun h LYS 147 Ca 0.39 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.75 2jun h LYS 147 Cb 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2jun h LYS 147 CO -0.20 0.00 -0.19 0.00 -2.27 0.00 0.00 179.45 176.79 2jun h ALA 148 N 2.02 -0.57 0.14 5.00 0.00 -0.57 -3.28 119.26 121.99 2jun h ALA 148 Ca 0.00 -0.12 -0.29 0.00 0.00 0.00 0.00 54.91 54.51 2jun h ALA 148 Cb 0.80 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2jun h ALA 148 CO 0.00 -0.53 -1.32 1.79 0.00 0.00 0.00 179.25 179.18 2jun h THR 149 N -1.06 1.41 -3.50 0.00 1.35 -1.47 -3.40 112.91 106.24 2jun h THR 149 Ca -0.05 -2.98 -0.68 0.00 -0.55 0.00 0.00 66.41 62.14 2jun h THR 149 Cb 0.41 2.91 -0.37 0.00 -1.73 0.00 0.00 68.15 69.38 2jun h THR 149 CO 0.09 0.87 -0.41 -1.00 -0.25 0.00 0.00 175.52 174.82 2jun s HIS 150 N -2.64 3.37 0.59 4.73 3.76 0.45 -5.08 115.29 120.47 2jun s HIS 150 Ca -0.05 -2.85 -0.10 0.00 -0.15 0.00 0.00 55.06 51.91 2jun s HIS 150 Cb 0.07 -3.11 0.15 0.00 1.11 0.00 0.00 32.58 30.79 2jun s HIS 150 CO 0.88 -0.81 0.52 -0.35 -0.85 0.00 0.00 174.74 174.13 2jun n PRO 151 N 3.30 -2.04 -2.44 8.40 -0.04 -1.24 -3.74 135.00 137.20 2jun n PRO 151 Ca 0.08 -0.83 -0.38 0.00 -0.04 0.00 0.00 63.50 62.33 2jun n PRO 151 Cb 0.36 -0.78 -0.03 0.00 -0.04 0.00 0.00 33.50 33.01 2jun n PRO 151 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jun s ASN 152 N -2.90 6.21 0.00 3.54 2.20 -1.26 -4.46 114.94 118.26 2jun s ASN 152 Ca 0.34 -1.43 0.00 0.00 -0.94 0.00 0.00 52.86 50.83 2jun s ASN 152 Cb -0.03 -2.57 0.00 0.00 -2.00 0.00 0.00 41.25 36.65 2jun s ASN 152 CO 0.26 -1.78 0.56 0.29 -2.94 0.00 0.00 177.10 173.49 2jun n LYS 153 N 8.80 0.00 -1.15 3.55 5.02 -1.26 -5.06 118.16 128.05 2jun n LYS 153 Ca 0.37 -0.54 -0.30 0.00 -2.02 0.00 0.00 58.31 55.82 2jun n LYS 153 Cb 0.49 -0.43 0.14 0.00 -0.02 0.00 0.00 35.03 35.21 2jun n LYS 153 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2jun s LYS 154 N 0.00 1.29 0.17 1.97 1.02 -1.26 -1.46 119.74 121.47 2jun s LYS 154 Ca 0.00 0.92 0.20 0.00 0.02 0.00 0.00 55.97 57.11 2jun s LYS 154 Cb 0.00 -1.80 0.85 0.00 -0.52 0.00 0.00 37.83 36.36 2jun s LYS 154 CO 0.00 -2.25 1.62 -0.35 -0.92 0.00 0.00 175.35 173.46 2jun n PRO 155 N -3.90 0.13 -1.76 -1.68 -0.04 -1.26 -4.73 135.00 121.76 2jun n PRO 155 Ca 0.07 0.37 -0.33 0.00 -0.04 0.00 0.00 63.50 63.57 2jun n PRO 155 Cb 0.55 -1.75 -0.02 0.00 -0.04 0.00 0.00 33.50 32.24 2jun n PRO 155 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2jun n PHE 156 N -1.99 2.16 0.20 0.54 3.72 -0.98 -4.65 117.46 116.47 2jun n PHE 156 Ca 0.03 -2.22 0.13 0.00 -0.05 0.00 0.00 57.45 55.34 2jun n PHE 156 Cb 0.21 -1.40 0.72 0.00 -0.94 0.00 0.00 39.48 38.07 2jun n PHE 156 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 2jun h THR 157 N 2.11 0.00 0.00 4.37 1.35 -1.54 -3.45 112.91 115.75 2jun h THR 157 Ca 0.50 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 66.35 2jun h THR 157 Cb 0.46 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 2jun h THR 157 CO 1.13 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 177.01 2jun n GLY 158 N -1.22 2.51 3.54 5.82 0.00 -1.26 -4.81 105.19 109.76 2jun n GLY 158 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 2jun n GLY 158 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jun s HIS 159 N -2.51 2.28 -0.16 1.61 3.76 -1.26 -5.13 115.29 113.89 2jun s HIS 159 Ca 0.00 -0.69 -0.08 0.00 -0.15 0.00 0.00 55.06 54.13 2jun s HIS 159 Cb 0.00 -1.48 -0.04 0.00 1.11 0.00 0.00 32.58 32.17 2jun s HIS 159 CO 0.00 0.36 0.13 1.03 -0.85 0.00 0.00 174.74 175.41 2jun s ARG 160 N -3.73 3.80 -0.07 1.40 0.52 -1.26 -4.99 118.95 114.62 2jun s ARG 160 Ca 0.34 -0.19 -0.03 0.00 -0.52 0.00 0.00 55.73 55.33 2jun s ARG 160 Cb 0.07 -3.28 0.04 0.00 0.52 0.00 0.00 34.95 32.30 2jun s ARG 160 CO 0.16 0.53 0.12 -0.51 0.02 0.00 0.00 175.30 175.63 2jun s LEU 161 N -0.31 0.20 -0.58 2.53 1.02 -1.26 -0.05 118.68 120.23 2jun s LEU 161 Ca 0.11 0.25 -0.27 0.00 0.02 0.00 0.00 54.13 54.24 2jun s LEU 161 Cb -0.12 0.17 -0.10 0.00 0.02 0.00 0.00 46.19 46.17 2jun s LEU 161 CO 0.01 -0.22 2.46 -0.38 0.02 0.00 0.00 176.35 178.24 2jun n ILE 162 N 5.03 -0.07 -3.64 -0.59 -0.00 -1.25 -4.81 119.36 114.02 2jun n ILE 162 Ca -0.10 -0.68 -0.02 0.00 -0.00 0.00 0.00 62.75 61.95 2jun n ILE 162 Cb 0.50 -2.43 -0.03 0.00 -0.00 0.00 0.00 39.64 37.69 2jun n ILE 162 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.55 174.72 2jun s GLU 163 N 8.42 0.04 1.13 0.38 -1.05 -1.26 -4.87 118.70 121.50 2jun s GLU 163 Ca 1.03 -0.01 -0.17 0.00 -0.15 0.00 0.00 54.97 55.67 2jun s GLU 163 Cb -0.32 0.02 0.25 0.00 -0.44 0.00 0.00 34.13 33.64 2jun s GLU 163 CO 0.28 -0.02 1.10 -1.25 0.95 0.00 0.00 175.26 176.33 2jun s PRO 164 N -1.80 -0.66 -0.00 -4.83 0.04 -0.94 -3.85 135.00 122.95 2jun s PRO 164 Ca 0.11 0.13 -0.23 0.00 0.04 0.00 0.00 61.00 61.05 2jun s PRO 164 Cb -0.01 -1.64 -0.05 0.00 0.04 0.00 0.00 34.50 32.84 2jun s PRO 164 CO -0.04 -3.38 0.71 0.42 0.04 0.00 0.00 177.00 174.75 2jun s ILE 165 N -2.99 4.88 0.67 0.56 -1.09 -1.26 -4.99 121.20 116.97 2jun s ILE 165 Ca 0.69 1.48 -0.11 0.00 -2.23 0.00 0.00 60.65 60.48 2jun s ILE 165 Cb -0.13 -4.05 0.17 0.00 -1.58 0.00 0.00 42.46 36.87 2jun s ILE 165 CO 0.57 0.34 0.59 -0.81 -1.23 0.00 0.00 174.94 174.40 2jun n PRO 166 N 3.12 -2.18 -3.59 2.79 -0.04 -1.26 -4.48 135.00 129.36 2jun n PRO 166 Ca -0.03 -0.95 -0.27 0.00 -0.04 0.00 0.00 63.50 62.22 2jun n PRO 166 Cb 0.51 -0.89 0.05 0.00 -0.04 0.00 0.00 33.50 33.13 2jun n PRO 166 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2jun n ASP 167 N -4.02 -5.08 -3.48 3.54 -0.08 -1.26 -5.00 116.55 101.18 2jun n ASP 167 Ca 0.08 -0.93 -0.14 0.00 -1.51 0.00 0.00 54.79 52.29 2jun n ASP 167 Cb 0.32 -3.86 -0.04 0.00 2.34 0.00 0.00 41.12 39.89 2jun n ASP 167 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2jun s SER 168 N -3.56 -0.58 -0.47 1.67 0.01 -1.26 -5.12 113.70 104.39 2jun s SER 168 Ca 0.41 0.32 0.03 0.00 1.31 0.00 0.00 55.95 58.02 2jun s SER 168 Cb -0.12 0.54 0.14 0.00 0.21 0.00 0.00 66.02 66.78 2jun s SER 168 CO 0.83 -0.76 0.26 -1.38 0.41 0.00 0.00 173.24 172.60 2jun s HIS 169 N -2.50 2.34 0.13 2.43 -3.43 -1.26 -5.10 115.29 107.89 2jun s HIS 169 Ca -0.04 -2.65 0.04 0.00 -0.80 0.00 0.00 55.06 51.61 2jun s HIS 169 Cb -0.01 -2.14 -0.04 0.00 -1.43 0.00 0.00 32.58 28.96 2jun s HIS 169 CO -0.02 -0.76 -0.10 0.96 -2.00 0.00 0.00 174.74 172.81 2jun s ILE 170 N 0.11 1.06 0.06 -5.38 -4.36 -1.26 -5.12 121.20 106.32 2jun s ILE 170 Ca 0.18 -1.94 -0.31 0.00 -0.26 0.00 0.00 60.65 58.33 2jun s ILE 170 Cb -0.23 -1.70 -0.07 0.00 1.25 0.00 0.00 42.46 41.70 2jun s ILE 170 CO -0.01 -0.71 1.51 -0.13 0.24 0.00 0.00 174.94 175.84 2jun s ARG 171 N -3.50 4.25 0.94 0.37 0.52 -1.26 -4.78 118.95 115.49 2jun s ARG 171 Ca 0.13 2.15 0.00 0.00 -0.52 0.00 0.00 55.73 57.49 2jun s ARG 171 Cb 0.01 -3.50 0.00 0.00 0.52 0.00 0.00 34.95 31.99 2jun s ARG 171 CO -0.00 -0.62 0.00 0.41 0.02 0.00 0.00 175.30 175.11 2jun n GLY 172 N 3.76 -1.62 3.65 -3.53 0.00 -1.26 -4.87 105.19 101.32 2jun n GLY 172 Ca 0.14 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 2jun n GLY 172 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jun s LEU 173 N 0.00 3.34 0.42 0.99 1.02 -1.26 -5.13 118.68 118.06 2jun s LEU 173 Ca 0.00 -0.19 0.08 0.00 0.02 0.00 0.00 54.13 54.03 2jun s LEU 173 Cb 0.00 -2.05 -0.03 0.00 0.02 0.00 0.00 46.19 44.13 2jun s LEU 173 CO 0.00 0.20 0.34 -0.32 0.02 0.00 0.00 176.35 176.59 2jun s MET 174 N -2.07 2.47 0.89 1.70 1.75 -1.26 -3.95 119.30 118.83 2jun s MET 174 Ca 0.23 -1.60 -0.10 0.00 -1.25 0.00 0.00 55.69 52.97 2jun s MET 174 Cb -0.11 -2.30 0.19 0.00 2.84 0.00 0.00 34.83 35.45 2jun s MET 174 CO 0.15 -0.18 1.21 0.00 -0.65 0.00 0.00 175.02 175.55 2jun h LEU 176 N -1.26 -1.05 -4.81 0.00 5.85 -1.91 -3.37 115.31 108.75 2jun h LEU 176 Ca -0.40 0.04 -0.45 0.00 0.84 0.00 0.00 57.88 57.91 2jun h LEU 176 Cb 1.24 0.28 -0.41 0.00 0.37 0.00 0.00 40.66 42.13 2jun h LEU 176 CO 0.35 -0.73 -1.02 1.21 -0.34 0.00 0.00 178.44 177.91 2jun n GLU 177 N -5.26 2.03 -3.38 1.25 2.13 -1.26 -4.90 120.64 111.25 2jun n GLU 177 Ca -0.15 -3.74 -0.27 0.00 0.66 0.00 0.00 57.16 53.67 2jun n GLU 177 Cb 0.47 -1.63 -0.10 0.00 0.27 0.00 0.00 31.44 30.45 2jun n GLU 177 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2jun n HIS 178 N -0.23 -0.97 0.08 4.31 8.25 -1.26 -4.95 115.22 120.46 2jun n HIS 178 Ca 0.21 -3.29 -0.13 0.00 -0.26 0.00 0.00 57.72 54.24 2jun n HIS 178 Cb 0.76 0.27 -0.13 0.00 1.12 0.00 0.00 29.99 32.01 2jun n HIS 178 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 2jun h GLU 179 N 5.61 0.19 0.00 -0.41 4.11 -1.92 -3.22 114.58 118.94 2jun h GLU 179 Ca 0.27 -0.32 0.00 0.00 0.07 0.00 0.00 59.36 59.37 2jun h GLU 179 Cb 0.91 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2jun h GLU 179 CO 0.37 1.13 0.00 0.22 0.07 0.00 0.00 179.01 180.80 2jun h ASP 180 N 0.05 0.00 -3.25 3.06 3.58 -2.02 -3.40 116.42 114.44 2jun h ASP 180 Ca -0.12 0.00 -0.47 0.00 0.42 0.00 0.00 57.03 56.86 2jun h ASP 180 Cb 1.93 0.00 -0.39 0.00 1.72 0.00 0.00 39.33 42.59 2jun h ASP 180 CO 0.18 0.00 -0.77 -0.70 -2.88 0.00 0.00 179.24 175.07 2jun s GLU 181 N -3.37 0.62 0.72 0.28 -6.30 -1.21 -5.14 118.70 104.29 2jun s GLU 181 Ca 0.04 -0.09 -0.10 0.00 -2.50 0.00 0.00 54.97 52.32 2jun s GLU 181 Cb 0.09 -1.42 0.04 0.00 0.00 0.00 0.00 34.13 32.85 2jun s GLU 181 CO 0.42 -0.44 1.09 0.15 0.02 0.00 0.00 175.26 176.50 2jun s LYS 182 N 1.94 2.47 -0.20 4.30 1.02 -1.26 -4.57 119.74 123.44 2jun s LYS 182 Ca 0.03 0.17 -0.29 0.00 0.02 0.00 0.00 55.97 55.90 2jun s LYS 182 Cb -0.14 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 2jun s LYS 182 CO -0.06 -1.21 1.04 0.14 -0.92 0.00 0.00 175.35 174.34 2jun s VAL 183 N -3.37 4.69 -0.07 3.17 -7.23 -1.25 -4.53 120.40 111.81 2jun s VAL 183 Ca 0.59 2.02 0.14 0.00 -1.81 0.00 0.00 61.98 62.92 2jun s VAL 183 Cb -0.11 -4.30 0.27 0.00 0.56 0.00 0.00 36.38 32.80 2jun s VAL 183 CO 0.49 -0.13 1.12 -0.46 -0.31 0.00 0.00 175.10 175.81 2jun n ASN 184 N 6.01 1.10 -4.11 4.85 6.94 -0.89 -4.91 115.26 124.25 2jun n ASN 184 Ca 0.11 -2.59 -0.11 0.00 -0.02 0.00 0.00 54.58 51.97 2jun n ASN 184 Cb 0.47 -0.34 -0.08 0.00 -2.36 0.00 0.00 39.78 37.47 2jun n ASN 184 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 2jun s MET 185 N -1.21 1.33 -0.01 -3.83 -1.94 -0.09 -4.84 119.30 108.71 2jun s MET 185 Ca 0.24 -1.46 0.01 0.00 -1.71 0.00 0.00 55.69 52.77 2jun s MET 185 Cb 0.24 0.35 0.00 0.00 2.01 0.00 0.00 34.83 37.44 2jun s MET 185 CO -0.06 -0.49 -0.03 -0.47 -0.01 0.00 0.00 175.02 173.96 2jun s TYR 186 N -4.09 0.33 -0.14 -0.03 5.04 -1.26 -0.54 117.35 116.66 2jun s TYR 186 Ca 0.31 -0.06 -0.05 0.00 -2.44 0.00 0.00 57.07 54.83 2jun s TYR 186 Cb 0.04 -0.25 -0.04 0.00 0.35 0.00 0.00 41.96 42.06 2jun s TYR 186 CO 0.10 -0.03 0.04 0.00 -1.34 0.00 0.00 175.55 174.32 2jun h VAL 188 N 4.58 1.41 -0.27 0.00 2.07 -1.81 0.26 116.25 122.49 2jun h VAL 188 Ca -0.42 -2.17 0.08 0.00 0.82 0.00 0.00 66.70 65.00 2jun h VAL 188 Cb 1.19 2.77 -0.01 0.00 -1.52 0.00 0.00 31.29 33.71 2jun h VAL 188 CO 0.63 0.48 0.30 0.74 0.02 0.00 0.00 177.57 179.73 2jun h THR 189 N -1.00 0.43 0.00 2.57 2.02 -1.96 -0.30 112.91 114.67 2jun h THR 189 Ca -0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2jun h THR 189 Cb 0.98 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 2jun h THR 189 CO -0.05 0.00 -1.19 0.47 0.37 0.00 0.00 175.52 175.12 2jun n ASP 190 N -3.76 1.37 -2.48 4.18 8.00 -1.25 -4.52 116.55 118.09 2jun n ASP 190 Ca 0.04 -0.34 -0.17 0.00 0.71 0.00 0.00 54.79 55.02 2jun n ASP 190 Cb 0.44 1.35 -0.01 0.00 -0.02 0.00 0.00 41.12 42.88 2jun n ASP 190 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2jun n ASP 191 N -1.69 -4.98 -4.28 -2.24 2.03 0.86 -4.45 116.55 101.80 2jun n ASP 191 Ca -0.00 0.05 -0.27 0.00 0.52 0.00 0.00 54.79 55.09 2jun n ASP 191 Cb 0.29 -4.17 -0.08 0.00 -0.72 0.00 0.00 41.12 36.43 2jun n ASP 191 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2jun s GLN 192 N -5.10 1.95 0.04 -0.67 -0.21 -0.90 -4.67 119.66 110.09 2jun s GLN 192 Ca 0.03 -2.19 -0.10 0.00 0.02 0.00 0.00 55.36 53.11 2jun s GLN 192 Cb -0.01 -0.82 -0.06 0.00 1.00 0.00 0.00 33.01 33.12 2jun s GLN 192 CO 0.03 -0.42 0.37 -0.51 -2.12 0.00 0.00 175.29 172.65 2jun s LEU 193 N -3.64 4.38 0.32 2.90 1.43 -1.26 -0.35 118.68 122.46 2jun s LEU 193 Ca 0.22 0.79 0.05 0.00 -1.03 0.00 0.00 54.13 54.16 2jun s LEU 193 Cb 0.03 -2.80 -0.03 0.00 0.03 0.00 0.00 46.19 43.42 2jun s LEU 193 CO 0.13 0.23 0.23 0.27 0.23 0.00 0.00 176.35 177.44 2jun s ILE 194 N -1.29 0.10 0.18 -0.59 -4.36 0.30 -4.87 121.20 110.67 2jun s ILE 194 Ca 0.29 -2.00 0.10 0.00 -0.26 0.00 0.00 60.65 58.78 2jun s ILE 194 Cb -0.14 -2.48 -0.04 0.00 1.25 0.00 0.00 42.46 41.04 2jun s ILE 194 CO 0.16 0.00 -0.17 0.00 0.24 0.00 0.00 174.94 175.17 2jun h ALA 196 N 3.13 2.20 0.00 0.00 0.00 -1.89 0.25 119.26 122.96 2jun h ALA 196 Ca -0.47 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2jun h ALA 196 Cb 1.20 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2jun h ALA 196 CO 0.50 -0.43 -0.02 1.25 0.00 0.00 0.00 179.25 180.56 2jun h LEU 197 N 0.00 0.00 0.23 0.00 5.85 -1.95 -1.55 115.31 117.89 2jun h LEU 197 Ca 0.15 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.55 2jun h LEU 197 Cb 0.67 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.73 2jun h LEU 197 CO -0.00 0.02 -1.44 0.00 -0.34 0.00 0.00 178.44 176.68 2jun h LYS 199 N 0.13 0.00 0.03 0.00 3.64 -1.26 -2.46 116.57 116.65 2jun h LYS 199 Ca -0.23 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.15 2jun h LYS 199 Cb 2.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.95 2jun h LYS 199 CO 0.26 0.37 -0.02 1.25 -2.27 0.00 0.00 179.45 179.04 2jun h LEU 200 N 0.00 -0.04 -1.11 5.20 6.46 -1.32 -3.30 115.31 121.20 2jun h LEU 200 Ca -0.00 -0.67 0.16 0.00 -0.12 0.00 0.00 57.88 57.24 2jun h LEU 200 Cb 0.91 0.01 -0.09 0.00 -0.73 0.00 0.00 40.66 40.76 2jun h LEU 200 CO 0.05 0.72 0.61 0.58 -0.62 0.00 0.00 178.44 179.77 2jun h VAL 201 N -0.85 0.80 0.00 1.05 2.07 -1.52 -3.46 116.25 114.34 2jun h VAL 201 Ca -0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2jun h VAL 201 Cb 0.71 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2jun h VAL 201 CO 0.01 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.35 2jun n GLY 202 N -1.37 1.38 0.44 2.17 0.00 -1.13 -4.98 105.19 101.68 2jun n GLY 202 Ca 0.20 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.47 2jun n GLY 202 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jun h ARG 203 N 0.00 0.07 -0.72 1.61 3.08 -1.73 -2.41 114.38 114.29 2jun h ARG 203 Ca 0.00 -0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.71 2jun h ARG 203 Cb 0.00 -0.02 -0.40 0.00 0.08 0.00 0.00 29.97 29.63 2jun h ARG 203 CO 0.00 0.05 -1.10 0.72 -1.07 0.00 0.00 179.97 178.57 2jun n HIS 204 N -4.34 1.50 -0.06 3.04 8.25 -1.09 -4.90 115.22 117.62 2jun n HIS 204 Ca 0.17 -2.43 -0.11 0.00 -0.26 0.00 0.00 57.72 55.08 2jun n HIS 204 Cb 0.84 -0.28 -0.10 0.00 1.12 0.00 0.00 29.99 31.56 2jun n HIS 204 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2jun h ARG 205 N 2.70 -0.00 -0.00 -0.41 2.43 -1.57 -3.30 114.38 114.23 2jun h ARG 205 Ca -0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2jun h ARG 205 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2jun h ARG 205 CO 0.39 0.79 -0.00 -0.25 -1.51 0.00 0.00 179.97 179.38 2jun n ASP 206 N -4.65 0.06 -4.82 -3.80 8.00 -1.26 -4.85 116.55 105.23 2jun n ASP 206 Ca -0.08 -0.73 -0.33 0.00 0.71 0.00 0.00 54.79 54.37 2jun n ASP 206 Cb 0.38 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.35 2jun n ASP 206 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2jun s HIS 207 N -2.20 3.25 -0.59 1.24 3.76 -1.24 -5.01 115.29 114.50 2jun s HIS 207 Ca 0.41 1.53 -0.17 0.00 -0.15 0.00 0.00 55.06 56.68 2jun s HIS 207 Cb 0.21 -2.89 0.12 0.00 1.11 0.00 0.00 32.58 31.13 2jun s HIS 207 CO 0.40 -0.52 0.62 -1.14 -0.85 0.00 0.00 174.74 173.25 2jun s GLN 208 N -3.71 3.06 0.53 1.40 0.74 -1.26 -5.04 119.66 115.39 2jun s GLN 208 Ca 0.62 -1.57 0.05 0.00 0.05 0.00 0.00 55.36 54.51 2jun s GLN 208 Cb -0.12 -4.30 0.03 0.00 1.10 0.00 0.00 33.01 29.71 2jun s GLN 208 CO 0.26 -1.44 0.33 0.14 -0.55 0.00 0.00 175.29 174.03 2jun s VAL 209 N 2.05 1.62 0.40 1.34 -7.23 -1.26 -2.79 120.40 114.52 2jun s VAL 209 Ca 0.08 -1.58 0.05 0.00 -1.81 0.00 0.00 61.98 58.73 2jun s VAL 209 Cb -0.26 -2.19 -0.06 0.00 0.56 0.00 0.00 36.38 34.43 2jun s VAL 209 CO 0.04 0.00 0.03 0.00 -0.31 0.00 0.00 175.10 174.86 2jun s ALA 210 N -2.78 3.02 -0.01 1.32 0.00 -1.21 -5.02 121.76 117.09 2jun s ALA 210 Ca 0.30 -1.87 0.01 0.00 0.00 0.00 0.00 51.96 50.40 2jun s ALA 210 Cb -0.01 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.47 2jun s ALA 210 CO 0.18 -0.18 -0.02 0.00 0.00 0.00 0.00 175.76 175.74 2jun s ALA 211 N -2.96 0.24 -0.05 0.00 0.00 -1.26 -4.44 121.76 113.29 2jun s ALA 211 Ca 0.30 -0.04 -0.05 0.00 0.00 0.00 0.00 51.96 52.17 2jun s ALA 211 Cb 0.08 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.09 2jun s ALA 211 CO 0.15 0.02 0.15 -0.51 0.00 0.00 0.00 175.76 175.57 2jun s LEU 212 N 0.21 1.43 0.28 0.00 1.02 -1.26 -5.17 118.68 115.19 2jun s LEU 212 Ca -0.02 0.27 0.11 0.00 0.02 0.00 0.00 54.13 54.51 2jun s LEU 212 Cb -0.04 0.53 -0.05 0.00 0.02 0.00 0.00 46.19 46.65 2jun s LEU 212 CO -0.01 -0.08 -0.13 -0.94 0.02 0.00 0.00 176.35 175.21 2jun s SER 213 N -0.03 3.91 0.00 2.29 1.04 -1.26 -5.10 113.70 114.55 2jun s SER 213 Ca -0.01 -0.90 0.10 0.00 0.48 0.00 0.00 55.95 55.62 2jun s SER 213 Cb -0.02 -0.48 0.08 0.00 0.10 0.00 0.00 66.02 65.71 2jun s SER 213 CO 0.00 0.02 0.83 -0.62 0.98 0.00 0.00 173.24 174.45