#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aly h ASP 117 N 0.00 0.00 0.00 1.61 2.03 -2.09 -3.48 116.42 114.49 1aly h ASP 117 Ca 0.00 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.24 1aly h ASP 117 Cb 0.00 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.52 1aly h ASP 117 CO 0.00 0.32 0.68 0.00 -1.03 0.00 0.00 179.24 179.21 1aly n GLN 118 N -3.88 0.00 0.14 4.15 -0.00 -1.26 -3.98 117.38 112.55 1aly n GLN 118 Ca -0.02 -0.36 0.00 0.00 -0.00 0.00 0.00 57.00 56.63 1aly n GLN 118 Cb 0.39 -1.66 0.00 0.00 -0.00 0.00 0.00 30.24 28.97 1aly n GLN 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1aly n ASN 119 N 4.51 -1.70 -0.69 2.61 4.13 -1.26 -5.05 115.26 117.80 1aly n ASN 119 Ca 0.05 0.52 0.00 0.00 1.68 0.00 0.00 54.58 56.83 1aly n ASN 119 Cb 0.06 1.74 0.00 0.00 -1.54 0.00 0.00 39.78 40.04 1aly n ASN 119 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1aly n PRO 120 N -3.19 0.00 -1.14 3.52 -0.02 -1.26 -4.69 135.00 128.22 1aly n PRO 120 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.12 1aly n PRO 120 Cb 0.00 -0.77 0.07 0.00 -0.02 0.00 0.00 33.50 32.79 1aly n PRO 120 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1aly n GLN 121 N 0.34 0.14 -3.39 -0.52 -0.06 -1.26 -5.02 117.38 107.60 1aly n GLN 121 Ca 0.00 0.08 -0.42 0.00 -2.00 0.00 0.00 57.00 54.66 1aly n GLN 121 Cb 0.00 -1.72 -0.09 0.00 -4.06 0.00 0.00 30.24 24.37 1aly n GLN 121 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1aly s ILE 122 N -2.02 5.16 -0.05 1.69 1.01 -1.26 -4.61 121.20 121.10 1aly s ILE 122 Ca 0.61 -0.24 -0.20 0.00 0.00 0.00 0.00 60.65 60.82 1aly s ILE 122 Cb -0.32 -3.92 0.04 0.00 0.01 0.00 0.00 42.46 38.28 1aly s ILE 122 CO 0.62 -0.26 0.46 0.00 0.00 0.00 0.00 174.94 175.76 1aly s ALA 123 N 2.00 -1.17 0.07 9.38 0.00 -1.26 -0.72 121.76 130.05 1aly s ALA 123 Ca 0.10 0.81 0.02 0.00 0.00 0.00 0.00 51.96 52.90 1aly s ALA 123 Cb -0.17 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1aly s ALA 123 CO 0.12 -0.29 -0.07 0.00 0.00 0.00 0.00 175.76 175.52 1aly s ALA 124 N -1.03 0.76 -0.22 0.00 0.00 0.05 -0.84 121.76 120.48 1aly s ALA 124 Ca -0.11 -1.02 -0.10 0.00 0.00 0.00 0.00 51.96 50.74 1aly s ALA 124 Cb -0.03 0.09 0.09 0.00 0.00 0.00 0.00 23.12 23.27 1aly s ALA 124 CO 0.05 -0.11 0.50 -1.58 0.00 0.00 0.00 175.76 174.62 1aly s HIS 125 N -2.35 -0.88 0.07 0.00 2.46 0.02 -1.74 115.29 112.87 1aly s HIS 125 Ca -0.00 1.69 0.03 0.00 0.47 0.00 0.00 55.06 57.24 1aly s HIS 125 Cb -0.03 0.43 -0.03 0.00 -0.13 0.00 0.00 32.58 32.82 1aly s HIS 125 CO -0.02 -0.48 -0.08 0.54 -2.47 0.00 0.00 174.74 172.23 1aly s VAL 126 N 2.16 0.69 0.00 0.89 0.11 -0.16 -0.35 120.40 123.75 1aly s VAL 126 Ca -0.06 -1.44 0.04 0.00 -2.93 0.00 0.00 61.98 57.59 1aly s VAL 126 Cb -0.10 -1.08 -0.03 0.00 -1.53 0.00 0.00 36.38 33.64 1aly s VAL 126 CO -0.15 -0.54 -0.09 -0.63 -3.33 0.00 0.00 175.10 170.35 1aly s ILE 127 N -2.20 3.45 0.48 7.04 1.09 -0.67 -1.93 121.20 128.46 1aly s ILE 127 Ca -0.01 -0.82 -0.24 0.00 -1.10 0.00 0.00 60.65 58.48 1aly s ILE 127 Cb -0.04 -2.48 -0.07 0.00 -1.06 0.00 0.00 42.46 38.81 1aly s ILE 127 CO -0.01 0.42 1.40 -0.94 -0.10 0.00 0.00 174.94 175.70 1aly s SER 128 N -1.32 5.70 -0.10 3.58 1.04 0.66 0.19 113.70 123.45 1aly s SER 128 Ca 0.16 2.85 -0.08 0.00 0.48 0.00 0.00 55.95 59.36 1aly s SER 128 Cb -0.11 -2.65 0.03 0.00 0.10 0.00 0.00 66.02 63.40 1aly s SER 128 CO 0.06 -1.29 0.26 -1.83 0.98 0.00 0.00 173.24 171.42 1aly s GLU 129 N -2.59 0.27 -0.03 4.02 -1.05 -0.49 -4.69 118.70 114.14 1aly s GLU 129 Ca 0.64 0.44 -0.39 0.00 -0.15 0.00 0.00 54.97 55.52 1aly s GLU 129 Cb -0.42 0.04 -0.18 0.00 -0.44 0.00 0.00 34.13 33.13 1aly s GLU 129 CO 0.53 -0.09 1.35 0.00 0.95 0.00 0.00 175.26 178.00 1aly n ALA 130 N 3.48 -1.52 -1.78 -0.84 0.00 -1.26 -3.84 120.51 114.75 1aly n ALA 130 Ca -0.18 0.52 -0.37 0.00 0.00 0.00 0.00 53.44 53.40 1aly n ALA 130 Cb 0.56 -2.01 -0.04 0.00 0.00 0.00 0.00 19.45 17.96 1aly n ALA 130 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1aly s SER 131 N 0.99 6.85 0.00 0.00 0.15 -1.26 -4.94 113.70 115.49 1aly s SER 131 Ca 0.89 2.11 0.26 0.00 0.70 0.00 0.00 55.95 59.91 1aly s SER 131 Cb -1.08 -2.60 0.55 0.00 -1.71 0.00 0.00 66.02 61.18 1aly s SER 131 CO 0.54 -0.43 1.46 -1.54 1.20 0.00 0.00 173.24 174.47 1aly n SER 132 N 0.22 2.23 -4.68 5.45 3.41 -1.26 -4.94 113.62 114.04 1aly n SER 132 Ca 0.04 -1.70 -0.27 0.00 -0.26 0.00 0.00 58.87 56.67 1aly n SER 132 Cb 0.48 0.04 -0.08 0.00 -0.26 0.00 0.00 64.21 64.40 1aly n SER 132 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1aly s LYS 133 N -2.06 2.48 0.05 4.33 -0.14 -1.26 -5.10 119.74 118.04 1aly s LYS 133 Ca 0.31 -1.02 -0.30 0.00 -1.36 0.00 0.00 55.97 53.60 1aly s LYS 133 Cb 0.20 -2.43 -0.08 0.00 -1.68 0.00 0.00 37.83 33.84 1aly s LYS 133 CO 0.35 0.48 1.77 0.99 -0.76 0.00 0.00 175.35 178.17 1aly s THR 134 N -1.63 3.04 -0.05 2.17 2.01 -1.26 -4.88 115.64 115.04 1aly s THR 134 Ca 0.27 0.32 -0.04 0.00 0.31 0.00 0.00 61.69 62.56 1aly s THR 134 Cb -0.10 -3.21 -0.01 0.00 0.01 0.00 0.00 72.50 69.19 1aly s THR 134 CO 0.19 -0.01 -0.07 0.41 -0.69 0.00 0.00 174.62 174.44 1aly n THR 135 N 5.09 0.53 1.10 -0.82 -1.04 -1.26 -4.98 114.28 112.91 1aly n THR 135 Ca 0.18 0.39 0.10 0.00 -2.04 0.00 0.00 64.05 62.68 1aly n THR 135 Cb 0.41 -1.83 0.55 0.00 -1.82 0.00 0.00 70.33 67.64 1aly n THR 135 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1aly n SER 136 N -3.14 0.00 -4.72 8.00 3.41 -1.26 -4.89 113.62 111.01 1aly n SER 136 Ca -0.03 -0.30 -0.42 0.00 -0.26 0.00 0.00 58.87 57.86 1aly n SER 136 Cb 0.11 -0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 63.87 1aly n SER 136 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1aly s VAL 137 N -2.30 3.97 0.33 -3.33 -7.23 -1.26 -0.92 120.40 109.65 1aly s VAL 137 Ca 0.25 1.49 -0.29 0.00 -1.81 0.00 0.00 61.98 61.62 1aly s VAL 137 Cb 0.14 -3.95 -0.12 0.00 0.56 0.00 0.00 36.38 33.00 1aly s VAL 137 CO 0.27 0.16 1.38 0.18 -0.31 0.00 0.00 175.10 176.78 1aly n LEU 138 N 3.45 3.84 -4.86 1.32 4.77 0.03 -4.91 117.00 120.65 1aly n LEU 138 Ca 0.07 1.20 -0.27 0.00 -0.03 0.00 0.00 56.01 56.98 1aly n LEU 138 Cb 0.46 -1.52 -0.04 0.00 -2.33 0.00 0.00 43.42 39.99 1aly n LEU 138 CO 0.55 -0.28 -0.17 -1.10 -1.33 0.00 0.00 177.39 175.06 1aly s GLN 139 N -1.60 3.15 0.12 3.23 -1.52 -1.25 -4.25 119.66 117.54 1aly s GLN 139 Ca 0.57 -0.71 0.02 0.00 -1.95 0.00 0.00 55.36 53.29 1aly s GLN 139 Cb -0.55 -2.81 -0.04 0.00 -0.22 0.00 0.00 33.01 29.38 1aly s GLN 139 CO 0.60 0.52 -0.05 -1.58 -0.25 0.00 0.00 175.29 174.52 1aly s TRP 140 N -1.69 1.03 0.12 0.91 0.52 -1.26 -1.39 118.94 117.17 1aly s TRP 140 Ca 0.32 -0.92 0.03 0.00 0.02 0.00 0.00 56.10 55.55 1aly s TRP 140 Cb -0.11 -0.58 -0.04 0.00 -1.15 0.00 0.00 33.47 31.59 1aly s TRP 140 CO 0.26 -0.13 -0.07 0.00 0.02 0.00 0.00 176.95 177.02 1aly s ALA 141 N -3.59 1.14 -1.24 0.98 0.00 0.13 -4.75 121.76 114.43 1aly s ALA 141 Ca 0.16 -1.41 -0.11 0.00 0.00 0.00 0.00 51.96 50.60 1aly s ALA 141 Cb 0.05 0.15 0.17 0.00 0.00 0.00 0.00 23.12 23.49 1aly s ALA 141 CO -0.02 -0.20 1.66 0.39 0.00 0.00 0.00 175.76 177.60 1aly n GLU 142 N -0.10 3.53 -4.20 0.00 1.02 -1.26 -1.67 120.64 117.97 1aly n GLU 142 Ca -0.11 -3.71 -0.20 0.00 -0.02 0.00 0.00 57.16 53.12 1aly n GLU 142 Cb 0.61 -2.96 -0.07 0.00 -0.02 0.00 0.00 31.44 28.99 1aly n GLU 142 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1aly n LYS 143 N 4.56 0.44 0.00 3.49 2.85 -1.26 -4.96 118.16 123.27 1aly n LYS 143 Ca 0.38 -3.25 0.00 0.00 -1.05 0.00 0.00 58.31 54.39 1aly n LYS 143 Cb 0.39 2.46 0.00 0.00 -0.65 0.00 0.00 35.03 37.23 1aly n LYS 143 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1aly n GLY 144 N -0.64 2.67 2.11 2.58 0.00 -1.26 -3.01 105.19 107.63 1aly n GLY 144 Ca 0.05 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 1aly n GLY 144 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1aly n TYR 145 N 14.00 0.13 -2.87 1.61 4.01 -1.26 -4.93 117.16 127.85 1aly n TYR 145 Ca 0.00 -1.34 -0.25 0.00 -0.16 0.00 0.00 57.90 56.14 1aly n TYR 145 Cb 0.00 -1.45 0.00 0.00 -0.31 0.00 0.00 39.34 37.58 1aly n TYR 145 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 1aly s TYR 146 N 1.42 3.41 -0.01 -0.72 1.13 -1.16 -4.87 117.35 116.54 1aly s TYR 146 Ca 0.56 0.52 0.02 0.00 -1.41 0.00 0.00 57.07 56.76 1aly s TYR 146 Cb 0.26 -2.27 -0.00 0.00 -1.10 0.00 0.00 41.96 38.85 1aly s TYR 146 CO -0.00 -0.29 -0.07 0.99 -2.51 0.00 0.00 175.55 173.67 1aly s THR 147 N -2.63 0.58 -0.42 -3.49 2.01 0.53 -4.92 115.64 107.30 1aly s THR 147 Ca 0.47 -0.28 0.04 0.00 0.31 0.00 0.00 61.69 62.23 1aly s THR 147 Cb -0.10 -0.51 0.17 0.00 0.01 0.00 0.00 72.50 72.07 1aly s THR 147 CO 0.41 0.18 0.46 -0.32 -0.69 0.00 0.00 174.62 174.65 1aly s MET 148 N 0.04 0.83 0.00 4.92 0.00 -1.25 -0.80 119.30 123.04 1aly s MET 148 Ca -0.00 -1.30 0.10 0.00 0.00 0.00 0.00 55.69 54.49 1aly s MET 148 Cb -0.05 -0.76 0.45 0.00 0.00 0.00 0.00 34.83 34.47 1aly s MET 148 CO -0.00 -1.29 1.29 -1.13 0.00 0.00 0.00 175.02 173.89 1aly n SER 149 N 3.49 0.00 -3.62 1.11 3.41 -0.02 -4.77 113.62 113.22 1aly n SER 149 Ca 0.19 0.40 0.01 0.00 -0.26 0.00 0.00 58.87 59.21 1aly n SER 149 Cb 0.49 -0.44 -0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1aly n SER 149 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1aly s ASN 150 N -2.88 -0.06 0.00 4.04 2.20 -1.26 -4.26 114.94 112.72 1aly s ASN 150 Ca 0.06 -0.13 0.01 0.00 -0.94 0.00 0.00 52.86 51.86 1aly s ASN 150 Cb 0.07 0.16 0.04 0.00 -2.00 0.00 0.00 41.25 39.51 1aly s ASN 150 CO 0.17 -0.29 0.90 -0.46 -2.94 0.00 0.00 177.10 174.49 1aly n ASN 151 N -0.48 0.00 -0.22 3.54 2.04 -1.26 -2.74 115.26 116.14 1aly n ASN 151 Ca -0.08 0.37 0.13 0.00 -0.44 0.00 0.00 54.58 54.55 1aly n ASN 151 Cb 0.63 -0.37 0.40 0.00 -2.53 0.00 0.00 39.78 37.90 1aly n ASN 151 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1aly n LEU 152 N -1.37 0.94 -4.31 -4.53 4.77 -1.26 -4.63 117.00 106.61 1aly n LEU 152 Ca 0.00 -0.22 -0.28 0.00 -0.03 0.00 0.00 56.01 55.48 1aly n LEU 152 Cb 0.01 -0.14 -0.14 0.00 -2.33 0.00 0.00 43.42 40.82 1aly n LEU 152 CO 0.01 0.18 -0.55 0.68 -1.33 0.00 0.00 177.39 176.37 1aly s VAL 153 N -2.52 1.96 0.00 4.08 -7.23 -1.11 -1.03 120.40 114.55 1aly s VAL 153 Ca 0.24 -1.32 -0.03 0.00 -1.81 0.00 0.00 61.98 59.07 1aly s VAL 153 Cb 0.19 -1.68 -0.01 0.00 0.56 0.00 0.00 36.38 35.44 1aly s VAL 153 CO 0.52 0.31 0.04 0.42 -0.31 0.00 0.00 175.10 176.08 1aly s THR 154 N -0.80 0.08 -0.60 5.32 -4.23 -0.50 -4.72 115.64 110.17 1aly s THR 154 Ca 0.10 -0.63 -0.27 0.00 -1.18 0.00 0.00 61.69 59.70 1aly s THR 154 Cb -0.10 -0.27 0.03 0.00 1.34 0.00 0.00 72.50 73.50 1aly s THR 154 CO 0.02 -0.35 1.17 -0.22 -0.54 0.00 0.00 174.62 174.70 1aly s LEU 155 N -1.09 3.51 -0.11 4.79 0.20 -1.26 -0.39 118.68 124.34 1aly s LEU 155 Ca -0.12 -0.07 -0.13 0.00 0.69 0.00 0.00 54.13 54.50 1aly s LEU 155 Cb -0.07 -3.00 -0.05 0.00 -0.43 0.00 0.00 46.19 42.64 1aly s LEU 155 CO 0.00 -1.51 0.30 -1.61 -0.29 0.00 0.00 176.35 173.24 1aly s GLU 156 N 4.93 4.00 -0.42 1.98 0.41 0.30 -4.90 118.70 125.00 1aly s GLU 156 Ca 0.39 0.15 -0.19 0.00 -0.41 0.00 0.00 54.97 54.91 1aly s GLU 156 Cb -0.08 -3.32 0.02 0.00 -1.78 0.00 0.00 34.13 28.96 1aly s GLU 156 CO 0.22 0.48 0.52 1.21 -0.49 0.00 0.00 175.26 177.20 1aly s ASN 157 N -0.27 6.26 0.25 -0.19 2.47 -1.26 -0.65 114.94 121.55 1aly s ASN 157 Ca 0.18 -0.46 0.00 0.00 0.42 0.00 0.00 52.86 53.00 1aly s ASN 157 Cb -0.14 -2.26 0.00 0.00 -1.45 0.00 0.00 41.25 37.40 1aly s ASN 157 CO 0.07 -0.64 0.00 0.61 -3.72 0.00 0.00 177.10 173.42 1aly n GLY 158 N 5.04 1.12 3.70 1.21 0.00 -1.26 -5.00 105.19 110.01 1aly n GLY 158 Ca -0.05 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 44.54 1aly n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aly s LYS 159 N 0.00 4.33 0.03 1.61 -0.14 -1.25 -5.07 119.74 119.25 1aly s LYS 159 Ca 0.00 0.65 -0.08 0.00 -1.36 0.00 0.00 55.97 55.18 1aly s LYS 159 Cb 0.00 -3.49 -0.00 0.00 -1.68 0.00 0.00 37.83 32.66 1aly s LYS 159 CO 0.00 -0.01 0.15 1.14 -0.76 0.00 0.00 175.35 175.88 1aly s GLN 160 N 1.11 0.62 -0.30 1.68 -2.07 0.18 -4.65 119.66 116.22 1aly s GLN 160 Ca 0.31 -0.63 -0.17 0.00 -1.82 0.00 0.00 55.36 53.05 1aly s GLN 160 Cb -0.16 0.25 -0.02 0.00 -1.09 0.00 0.00 33.01 31.99 1aly s GLN 160 CO 0.13 -0.17 0.46 -0.51 -1.32 0.00 0.00 175.29 173.88 1aly s LEU 161 N -1.98 4.19 -0.33 2.60 1.43 -0.02 -0.54 118.68 124.04 1aly s LEU 161 Ca -0.07 0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.10 1aly s LEU 161 Cb -0.02 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.65 1aly s LEU 161 CO -0.03 -0.34 0.19 -0.89 0.23 0.00 0.00 176.35 175.51 1aly s THR 162 N 2.25 4.88 0.09 5.49 2.01 0.48 -1.38 115.64 129.46 1aly s THR 162 Ca 0.18 -0.37 -0.07 0.00 0.31 0.00 0.00 61.69 61.74 1aly s THR 162 Cb -0.16 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 68.79 1aly s THR 162 CO 0.11 0.01 0.35 0.68 -0.69 0.00 0.00 174.62 175.09 1aly s VAL 163 N 1.65 5.18 -2.18 3.82 -7.23 -1.26 -1.41 120.40 118.97 1aly s VAL 163 Ca 0.05 0.19 0.18 0.00 -1.81 0.00 0.00 61.98 60.59 1aly s VAL 163 Cb -0.17 -3.62 0.16 0.00 0.56 0.00 0.00 36.38 33.31 1aly s VAL 163 CO 0.08 0.20 1.08 0.29 -0.31 0.00 0.00 175.10 176.44 1aly n LYS 164 N 0.61 1.54 -4.85 4.82 5.02 -0.20 0.49 118.16 125.59 1aly n LYS 164 Ca -0.06 -1.60 -0.26 0.00 -2.02 0.00 0.00 58.31 54.37 1aly n LYS 164 Cb 0.52 -1.35 -0.16 0.00 -0.02 0.00 0.00 35.03 34.03 1aly n LYS 164 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1aly s ARG 165 N -1.46 1.67 0.62 1.97 0.52 -1.26 -4.47 118.95 116.54 1aly s ARG 165 Ca 0.22 -0.63 -0.12 0.00 -0.52 0.00 0.00 55.73 54.68 1aly s ARG 165 Cb 0.15 -1.51 -0.04 0.00 0.52 0.00 0.00 34.95 34.07 1aly s ARG 165 CO 0.22 0.30 1.03 1.14 0.02 0.00 0.00 175.30 178.01 1aly s GLN 166 N -0.14 3.56 0.00 3.54 -2.07 -1.26 -4.47 119.66 118.82 1aly s GLN 166 Ca 0.00 0.80 0.00 0.00 -1.82 0.00 0.00 55.36 54.34 1aly s GLN 166 Cb -0.10 -2.08 0.00 0.00 -1.09 0.00 0.00 33.01 29.75 1aly s GLN 166 CO 0.01 -0.60 0.00 0.41 -1.32 0.00 0.00 175.29 173.79 1aly n GLY 167 N -2.51 0.22 3.75 2.60 0.00 -0.35 -4.98 105.19 103.91 1aly n GLY 167 Ca 0.06 -1.80 -0.40 0.00 0.00 0.00 0.00 46.02 43.89 1aly n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aly s LEU 168 N 0.00 4.45 -0.02 0.99 1.02 -1.26 -0.04 118.68 123.82 1aly s LEU 168 Ca 0.00 1.46 0.05 0.00 0.02 0.00 0.00 54.13 55.66 1aly s LEU 168 Cb 0.00 -3.24 -0.01 0.00 0.02 0.00 0.00 46.19 42.96 1aly s LEU 168 CO 0.00 0.02 -0.17 -0.31 0.02 0.00 0.00 176.35 175.91 1aly s TYR 169 N -0.09 1.58 -0.17 0.29 1.51 0.36 -0.41 117.35 120.43 1aly s TYR 169 Ca 0.39 -0.34 -0.28 0.00 -1.01 0.00 0.00 57.07 55.83 1aly s TYR 169 Cb -0.21 -1.03 -0.00 0.00 -0.11 0.00 0.00 41.96 40.60 1aly s TYR 169 CO 0.23 -0.06 0.96 -0.47 -1.11 0.00 0.00 175.55 175.10 1aly s TYR 170 N -0.28 3.42 -0.05 2.71 5.04 0.43 -1.57 117.35 127.06 1aly s TYR 170 Ca 0.04 1.44 0.05 0.00 -2.44 0.00 0.00 57.07 56.15 1aly s TYR 170 Cb -0.08 -3.16 -0.01 0.00 0.35 0.00 0.00 41.96 39.06 1aly s TYR 170 CO 0.00 -0.33 -0.20 -1.50 -1.34 0.00 0.00 175.55 172.19 1aly s ILE 171 N 2.50 1.65 0.01 3.14 1.10 0.10 -0.34 121.20 129.37 1aly s ILE 171 Ca 0.43 -0.84 -0.04 0.00 -0.51 0.00 0.00 60.65 59.69 1aly s ILE 171 Cb -0.17 -1.41 -0.01 0.00 0.15 0.00 0.00 42.46 41.03 1aly s ILE 171 CO 0.12 0.47 0.07 -0.72 -2.11 0.00 0.00 174.94 172.76 1aly s TYR 172 N -0.03 0.12 0.04 3.50 1.13 -0.73 -0.93 117.35 120.45 1aly s TYR 172 Ca -0.04 -0.28 -0.01 0.00 -1.41 0.00 0.00 57.07 55.33 1aly s TYR 172 Cb -0.12 -0.10 -0.03 0.00 -1.10 0.00 0.00 41.96 40.60 1aly s TYR 172 CO 0.03 -0.24 -0.02 0.00 -2.51 0.00 0.00 175.55 172.81 1aly s ALA 173 N -1.34 0.33 -0.06 9.51 0.00 -0.01 -0.88 121.76 129.30 1aly s ALA 173 Ca -0.15 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 50.88 1aly s ALA 173 Cb -0.08 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.29 1aly s ALA 173 CO 0.00 -0.29 -0.06 -1.14 0.00 0.00 0.00 175.76 174.27 1aly s GLN 174 N -2.97 1.10 -0.16 0.00 0.74 -0.28 -0.81 119.66 117.29 1aly s GLN 174 Ca -0.02 -0.17 -0.00 0.00 0.05 0.00 0.00 55.36 55.22 1aly s GLN 174 Cb 0.01 -1.09 0.04 0.00 1.10 0.00 0.00 33.01 33.07 1aly s GLN 174 CO -0.07 -0.11 -0.08 0.08 -0.55 0.00 0.00 175.29 174.57 1aly s VAL 175 N 1.10 1.27 0.08 1.34 1.01 0.49 -1.67 120.40 124.02 1aly s VAL 175 Ca -0.08 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1aly s VAL 175 Cb -0.14 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1aly s VAL 175 CO -0.01 0.21 0.13 0.28 0.00 0.00 0.00 175.10 175.71 1aly s THR 176 N 1.57 4.85 0.05 3.92 -1.32 -1.21 -0.76 115.64 122.74 1aly s THR 176 Ca 0.01 -0.64 -0.02 0.00 -1.21 0.00 0.00 61.69 59.84 1aly s THR 176 Cb -0.15 -3.35 -0.03 0.00 -1.51 0.00 0.00 72.50 67.46 1aly s THR 176 CO -0.08 0.12 0.00 0.72 -2.21 0.00 0.00 174.62 173.17 1aly s PHE 177 N -1.45 0.41 -0.14 9.09 -0.71 0.58 0.22 117.98 125.99 1aly s PHE 177 Ca 0.31 -0.86 0.02 0.00 -1.04 0.00 0.00 56.93 55.36 1aly s PHE 177 Cb -0.12 -0.30 0.01 0.00 -1.21 0.00 0.00 43.02 41.40 1aly s PHE 177 CO 0.24 -0.35 -0.21 0.00 -1.34 0.00 0.00 175.22 173.56 1aly s SER 179 N 0.84 0.08 -0.20 0.00 0.15 0.11 -4.73 113.70 109.96 1aly s SER 179 Ca -0.07 -0.05 -0.07 0.00 0.70 0.00 0.00 55.95 56.46 1aly s SER 179 Cb -0.15 0.00 -0.04 0.00 -1.71 0.00 0.00 66.02 64.12 1aly s SER 179 CO -0.02 -0.02 0.07 0.21 1.20 0.00 0.00 173.24 174.68 1aly s ASN 180 N -0.14 5.53 0.01 5.45 3.84 -1.26 -0.55 114.94 127.83 1aly s ASN 180 Ca -0.01 0.02 -0.03 0.00 0.21 0.00 0.00 52.86 53.04 1aly s ASN 180 Cb -0.01 -1.96 -0.01 0.00 -0.55 0.00 0.00 41.25 38.72 1aly s ASN 180 CO -0.00 0.12 1.05 0.03 -2.79 0.00 0.00 177.10 175.52 1aly h ARG 181 N 7.07 -0.06 -0.07 0.43 -0.00 -1.79 0.40 114.38 120.35 1aly h ARG 181 Ca -0.37 0.00 0.02 0.00 -0.50 0.00 0.00 59.98 59.14 1aly h ARG 181 Cb 1.17 0.01 -0.00 0.00 0.00 0.00 0.00 29.97 31.15 1aly h ARG 181 CO 0.67 -0.04 0.06 1.49 0.00 0.00 0.00 179.97 182.14 1aly h GLU 182 N -0.06 0.00 0.02 0.04 4.57 -1.77 -3.30 114.58 114.07 1aly h GLU 182 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1aly h GLU 182 Cb 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1aly h GLU 182 CO -0.04 0.00 -0.01 0.00 -1.18 0.00 0.00 179.01 177.78 1aly h ALA 183 N 1.96 -0.02 -0.42 2.92 0.00 -1.79 -3.38 119.26 118.52 1aly h ALA 183 Ca 0.03 -0.33 -0.70 0.00 0.00 0.00 0.00 54.91 53.91 1aly h ALA 183 Cb 0.15 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 1aly h ALA 183 CO -0.00 -0.04 2.77 0.43 0.00 0.00 0.00 179.25 182.41 1aly n SER 184 N -4.69 8.19 -3.72 0.00 7.64 0.14 -4.92 113.62 116.25 1aly n SER 184 Ca -0.07 -2.95 -0.42 0.00 1.01 0.00 0.00 58.87 56.44 1aly n SER 184 Cb 0.32 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.10 1aly n SER 184 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1aly n SER 185 N 2.29 6.11 0.00 6.43 2.88 -1.24 -4.72 113.62 125.37 1aly n SER 185 Ca 0.67 -3.11 0.00 0.00 -1.33 0.00 0.00 58.87 55.10 1aly n SER 185 Cb 0.26 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.28 1aly n SER 185 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1aly n GLN 186 N 3.19 1.41 0.00 -1.46 10.64 -1.26 -5.05 117.38 124.84 1aly n GLN 186 Ca 0.48 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.65 1aly n GLN 186 Cb 0.32 -0.90 0.00 0.00 -0.86 0.00 0.00 30.24 28.80 1aly n GLN 186 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1aly n ALA 187 N -1.26 1.56 -2.84 2.61 0.00 -1.26 -5.16 120.51 114.16 1aly n ALA 187 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1aly n ALA 187 Cb 0.04 0.12 -0.05 0.00 0.00 0.00 0.00 19.45 19.55 1aly n ALA 187 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1aly s PRO 188 N -1.35 3.11 0.16 0.00 0.04 -1.26 -4.03 135.00 131.66 1aly s PRO 188 Ca 0.00 -0.59 -0.30 0.00 0.04 0.00 0.00 61.00 60.15 1aly s PRO 188 Cb 0.00 -2.86 -0.07 0.00 0.04 0.00 0.00 34.50 31.61 1aly s PRO 188 CO 0.00 0.58 1.19 0.12 0.04 0.00 0.00 177.00 178.93 1aly s PHE 189 N -1.44 3.45 -0.02 0.56 2.19 0.14 -4.91 117.98 117.96 1aly s PHE 189 Ca 0.32 1.42 0.01 0.00 0.33 0.00 0.00 56.93 59.00 1aly s PHE 189 Cb -0.13 -3.41 0.02 0.00 -1.31 0.00 0.00 43.02 38.19 1aly s PHE 189 CO 0.24 -1.15 -0.02 -1.50 1.83 0.00 0.00 175.22 174.63 1aly s ILE 190 N 0.16 0.25 -0.10 3.12 2.07 -1.26 -0.66 121.20 124.78 1aly s ILE 190 Ca 0.54 -0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.75 1aly s ILE 190 Cb -0.32 -0.29 -0.02 0.00 0.13 0.00 0.00 42.46 41.96 1aly s ILE 190 CO 0.35 0.13 -0.10 0.00 -1.91 0.00 0.00 174.94 173.41 1aly s ALA 191 N 0.58 2.81 -0.05 1.50 0.00 -0.16 -1.84 121.76 124.59 1aly s ALA 191 Ca -0.06 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.05 1aly s ALA 191 Cb -0.09 -1.24 -0.00 0.00 0.00 0.00 0.00 23.12 21.79 1aly s ALA 191 CO -0.01 0.40 -0.19 -1.12 0.00 0.00 0.00 175.76 174.84 1aly s SER 192 N -0.19 2.34 -0.24 0.00 0.01 -0.11 -0.40 113.70 115.10 1aly s SER 192 Ca 0.01 -0.39 -0.15 0.00 1.31 0.00 0.00 55.95 56.73 1aly s SER 192 Cb -0.13 -0.70 -0.04 0.00 0.21 0.00 0.00 66.02 65.37 1aly s SER 192 CO 0.03 0.16 0.39 -0.22 0.41 0.00 0.00 173.24 174.02 1aly s LEU 193 N 0.05 4.09 0.21 2.44 0.20 0.70 -0.94 118.68 125.43 1aly s LEU 193 Ca -0.05 0.40 0.08 0.00 0.69 0.00 0.00 54.13 55.24 1aly s LEU 193 Cb -0.12 -2.48 -0.05 0.00 -0.43 0.00 0.00 46.19 43.11 1aly s LEU 193 CO 0.03 -0.15 -0.14 0.00 -0.29 0.00 0.00 176.35 175.80 1aly s LEU 195 N -3.34 1.92 -0.41 0.00 2.96 0.76 -1.00 118.68 119.58 1aly s LEU 195 Ca 0.23 -0.50 -0.13 0.00 -0.22 0.00 0.00 54.13 53.51 1aly s LEU 195 Cb -0.00 -1.25 0.04 0.00 0.50 0.00 0.00 46.19 45.48 1aly s LEU 195 CO 0.08 0.07 0.29 -0.75 -1.32 0.00 0.00 176.35 174.72 1aly s LYS 196 N 0.76 2.89 0.00 1.98 2.20 0.10 -1.46 119.74 126.20 1aly s LYS 196 Ca -0.10 -1.16 -0.02 0.00 -0.36 0.00 0.00 55.97 54.33 1aly s LYS 196 Cb -0.16 -3.92 -0.04 0.00 -1.51 0.00 0.00 37.83 32.20 1aly s LYS 196 CO 0.01 -0.82 0.17 0.45 -0.36 0.00 0.00 175.35 174.80 1aly s SER 197 N 1.89 6.25 -0.27 1.43 0.15 -1.25 0.80 113.70 122.70 1aly s SER 197 Ca 0.04 0.30 -0.42 0.00 0.70 0.00 0.00 55.95 56.57 1aly s SER 197 Cb -0.21 -1.93 -0.18 0.00 -1.71 0.00 0.00 66.02 61.99 1aly s SER 197 CO 0.07 0.25 1.54 -2.65 1.20 0.00 0.00 173.24 173.66 1aly n PRO 198 N 0.89 0.58 -1.46 5.44 -0.02 -1.26 -0.68 135.00 138.49 1aly n PRO 198 Ca -0.10 0.21 -0.16 0.00 -2.02 0.00 0.00 63.50 61.43 1aly n PRO 198 Cb 0.52 -1.80 -0.07 0.00 -0.02 0.00 0.00 33.50 32.14 1aly n PRO 198 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aly n GLY 199 N 3.53 1.60 3.28 -1.23 0.00 -1.26 -5.01 105.19 106.10 1aly n GLY 199 Ca 0.26 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 1aly n GLY 199 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aly s ARG 200 N -3.34 1.21 0.52 1.61 0.52 0.14 -5.06 118.95 114.55 1aly s ARG 200 Ca 0.00 -1.11 0.37 0.00 -0.52 0.00 0.00 55.73 54.47 1aly s ARG 200 Cb 0.00 -1.45 1.54 0.00 0.52 0.00 0.00 34.95 35.56 1aly s ARG 200 CO 0.00 0.35 1.73 0.74 0.02 0.00 0.00 175.30 178.13 1aly h PHE 201 N 4.27 0.13 0.00 -0.53 0.04 -1.94 -3.39 116.94 115.52 1aly h PHE 201 Ca -0.45 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.32 1aly h PHE 201 Cb 1.17 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.29 1aly h PHE 201 CO 0.59 -0.02 0.00 0.39 -0.60 0.00 0.00 178.31 178.67 1aly n GLU 202 N -4.23 0.00 -4.13 1.51 1.02 -1.26 -5.06 120.64 108.49 1aly n GLU 202 Ca 0.31 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.30 1aly n GLU 202 Cb 1.41 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 32.71 1aly n GLU 202 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1aly s ARG 203 N -5.07 0.64 -0.09 3.49 0.52 -0.54 -4.98 118.95 112.92 1aly s ARG 203 Ca 0.00 -0.77 -0.18 0.00 -0.52 0.00 0.00 55.73 54.25 1aly s ARG 203 Cb 0.00 -0.52 -0.04 0.00 0.52 0.00 0.00 34.95 34.91 1aly s ARG 203 CO 0.00 0.11 0.50 0.96 0.02 0.00 0.00 175.30 176.89 1aly s ILE 204 N -1.20 5.13 -0.19 1.52 -4.36 -1.26 -0.17 121.20 120.68 1aly s ILE 204 Ca -0.06 1.01 -0.21 0.00 -0.26 0.00 0.00 60.65 61.13 1aly s ILE 204 Cb -0.09 -3.83 -0.19 0.00 1.25 0.00 0.00 42.46 39.60 1aly s ILE 204 CO 0.01 0.35 0.29 -0.07 0.24 0.00 0.00 174.94 175.76 1aly h LEU 205 N 6.43 0.00 -8.03 0.37 3.38 -1.34 -3.48 115.31 112.64 1aly h LEU 205 Ca -0.42 -0.55 -0.16 0.00 0.09 0.00 0.00 57.88 56.84 1aly h LEU 205 Cb 1.19 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.74 1aly h LEU 205 CO 0.74 1.30 -0.69 -0.76 0.09 0.00 0.00 178.44 179.12 1aly s LEU 206 N -7.99 2.26 0.01 1.67 2.01 -1.12 -4.99 118.68 110.54 1aly s LEU 206 Ca -0.25 -0.60 -0.01 0.00 0.01 0.00 0.00 54.13 53.28 1aly s LEU 206 Cb 0.04 0.15 -0.01 0.00 0.01 0.00 0.00 46.19 46.37 1aly s LEU 206 CO 0.56 -0.37 -0.00 -0.13 1.01 0.00 0.00 176.35 177.42 1aly s ARG 207 N -2.02 0.25 -0.03 1.70 0.52 -1.26 -0.22 118.95 117.89 1aly s ARG 207 Ca -0.11 -0.42 0.03 0.00 -0.52 0.00 0.00 55.73 54.72 1aly s ARG 207 Cb -0.06 0.09 -0.00 0.00 0.52 0.00 0.00 34.95 35.50 1aly s ARG 207 CO -0.03 -0.04 -0.13 0.00 0.02 0.00 0.00 175.30 175.12 1aly s ALA 208 N -1.06 1.19 0.03 2.13 0.00 0.46 -5.00 121.76 119.51 1aly s ALA 208 Ca -0.12 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.36 1aly s ALA 208 Cb -0.07 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 1aly s ALA 208 CO -0.00 0.21 -0.03 0.00 0.00 0.00 0.00 175.76 175.94 1aly s ALA 209 N 0.09 3.18 0.03 0.00 0.00 -1.26 -0.99 121.76 122.80 1aly s ALA 209 Ca -0.03 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 50.94 1aly s ALA 209 Cb -0.10 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.80 1aly s ALA 209 CO 0.01 0.65 -0.12 -0.80 0.00 0.00 0.00 175.76 175.50 1aly s ASN 210 N -1.73 1.36 0.41 0.00 -0.87 0.16 -5.02 114.94 109.26 1aly s ASN 210 Ca 0.20 -0.40 -0.10 0.00 -1.57 0.00 0.00 52.86 50.99 1aly s ASN 210 Cb -0.11 -0.08 -0.06 0.00 -0.02 0.00 0.00 41.25 40.97 1aly s ASN 210 CO 0.11 0.01 0.77 0.28 -2.57 0.00 0.00 177.10 175.70 1aly s THR 211 N -0.79 4.80 -0.15 1.60 -1.32 -1.26 0.27 115.64 118.79 1aly s THR 211 Ca -0.00 0.57 -0.27 0.00 -1.21 0.00 0.00 61.69 60.78 1aly s THR 211 Cb -0.07 -3.75 -0.24 0.00 -1.51 0.00 0.00 72.50 66.93 1aly s THR 211 CO 0.01 -0.55 0.67 0.45 -2.21 0.00 0.00 174.62 172.99 1aly h HIS 212 N 1.16 0.00 -4.13 9.09 -0.00 -1.94 -3.44 115.15 115.89 1aly h HIS 212 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 1aly h HIS 212 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.60 1aly h HIS 212 CO 0.60 1.03 -0.07 -1.13 -0.00 0.00 0.00 177.93 178.37 1aly n SER 213 N -4.59 -4.82 -1.79 2.45 3.41 -1.26 -4.62 113.62 102.40 1aly n SER 213 Ca -0.13 0.06 -0.16 0.00 -0.26 0.00 0.00 58.87 58.38 1aly n SER 213 Cb 0.49 -3.09 -0.06 0.00 -0.26 0.00 0.00 64.21 61.29 1aly n SER 213 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1aly n SER 214 N -1.08 0.10 -0.30 4.04 7.64 -1.26 -2.40 113.62 120.37 1aly n SER 214 Ca 0.02 0.06 0.03 0.00 1.01 0.00 0.00 58.87 59.99 1aly n SER 214 Cb 0.42 -0.36 0.04 0.00 -1.01 0.00 0.00 64.21 63.29 1aly n SER 214 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aly n ALA 215 N 4.12 1.95 -1.01 -0.43 0.00 -1.26 -4.90 120.51 118.98 1aly n ALA 215 Ca 0.26 -1.37 -0.36 0.00 0.00 0.00 0.00 53.44 51.98 1aly n ALA 215 Cb 0.01 -0.38 0.06 0.00 0.00 0.00 0.00 19.45 19.15 1aly n ALA 215 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1aly n LYS 216 N -0.41 -0.03 -3.54 0.00 4.76 -1.01 -3.72 118.16 114.21 1aly n LYS 216 Ca 0.04 0.01 -0.34 0.00 -2.87 0.00 0.00 58.31 55.15 1aly n LYS 216 Cb 0.63 -1.37 -0.05 0.00 -1.84 0.00 0.00 35.03 32.40 1aly n LYS 216 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1aly s PRO 217 N -2.45 3.77 0.00 1.97 0.04 -1.26 -3.27 135.00 133.80 1aly s PRO 217 Ca 0.51 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1aly s PRO 217 Cb -0.25 -2.92 0.00 0.00 0.04 0.00 0.00 34.50 31.37 1aly s PRO 217 CO 0.73 0.50 0.00 0.00 0.04 0.00 0.00 177.00 178.27 1aly s GLY 219 N 0.00 2.13 -0.22 0.00 0.00 0.29 -4.44 107.32 105.08 1aly s GLY 219 Ca 0.00 -0.43 -0.26 0.00 0.00 0.00 0.00 44.72 44.03 1aly s GLY 219 CO 0.00 0.90 0.92 1.62 0.00 0.00 0.00 173.10 176.53 1aly s GLN 220 N 1.31 4.23 0.07 2.90 0.74 -1.26 -0.71 119.66 126.94 1aly s GLN 220 Ca 0.22 1.13 0.05 0.00 0.05 0.00 0.00 55.36 56.80 1aly s GLN 220 Cb -0.15 -3.63 -0.03 0.00 1.10 0.00 0.00 33.01 30.30 1aly s GLN 220 CO 0.09 -0.53 -0.13 -0.65 -0.55 0.00 0.00 175.29 173.51 1aly s GLN 221 N 2.87 0.79 0.30 1.67 -0.21 -0.08 -4.98 119.66 120.03 1aly s GLN 221 Ca 0.39 -0.92 0.11 0.00 0.02 0.00 0.00 55.36 54.96 1aly s GLN 221 Cb -0.15 -0.77 -0.05 0.00 1.00 0.00 0.00 33.01 33.03 1aly s GLN 221 CO 0.08 0.17 -0.14 -1.12 -2.12 0.00 0.00 175.29 172.16 1aly s SER 222 N -1.69 3.75 -0.09 5.90 0.01 -1.26 -0.30 113.70 120.02 1aly s SER 222 Ca -0.03 -1.04 0.02 0.00 1.31 0.00 0.00 55.95 56.21 1aly s SER 222 Cb -0.10 -0.38 0.01 0.00 0.21 0.00 0.00 66.02 65.77 1aly s SER 222 CO 0.02 -0.05 -0.13 -0.63 0.41 0.00 0.00 173.24 172.86 1aly s ILE 223 N -2.52 1.27 -0.19 1.44 1.01 0.06 -4.99 121.20 117.28 1aly s ILE 223 Ca 0.31 -0.52 -0.02 0.00 0.00 0.00 0.00 60.65 60.42 1aly s ILE 223 Cb -0.03 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.27 1aly s ILE 223 CO 0.16 0.39 -0.09 -2.28 0.00 0.00 0.00 174.94 173.12 1aly s HIS 224 N 0.88 2.89 -0.08 3.97 2.46 -1.26 -0.38 115.29 123.78 1aly s HIS 224 Ca -0.10 -0.93 0.02 0.00 0.47 0.00 0.00 55.06 54.52 1aly s HIS 224 Cb -0.15 -2.00 -0.02 0.00 -0.13 0.00 0.00 32.58 30.28 1aly s HIS 224 CO 0.01 -0.47 -0.13 -0.51 -2.47 0.00 0.00 174.74 171.17 1aly s LEU 225 N 1.09 2.78 -0.27 8.88 1.43 0.01 -5.00 118.68 127.60 1aly s LEU 225 Ca 0.01 -0.23 -0.25 0.00 -1.03 0.00 0.00 54.13 52.63 1aly s LEU 225 Cb -0.15 -1.59 0.12 0.00 0.03 0.00 0.00 46.19 44.61 1aly s LEU 225 CO -0.02 0.28 1.03 -0.83 0.23 0.00 0.00 176.35 177.04 1aly s GLY 226 N -0.32 -0.16 0.22 -3.19 0.00 -1.26 -0.82 107.32 101.79 1aly s GLY 226 Ca 0.03 2.63 -0.21 0.00 0.00 0.00 0.00 44.72 47.17 1aly s GLY 226 CO 0.02 1.77 0.98 -0.32 0.00 0.00 0.00 173.10 175.56 1aly s GLY 227 N 0.12 0.12 -0.19 0.20 0.00 -0.11 -4.99 107.32 102.47 1aly s GLY 227 Ca 0.03 -0.36 -0.12 0.00 0.00 0.00 0.00 44.72 44.27 1aly s GLY 227 CO -0.06 1.59 0.23 0.14 0.00 0.00 0.00 173.10 175.00 1aly s VAL 228 N -2.35 5.34 0.06 1.40 1.01 -1.26 -0.72 120.40 123.88 1aly s VAL 228 Ca 0.19 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.58 1aly s VAL 228 Cb -0.03 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 1aly s VAL 228 CO 0.06 0.39 -0.07 -0.36 0.00 0.00 0.00 175.10 175.13 1aly s PHE 229 N 0.54 0.69 0.05 5.22 0.08 -0.61 -4.97 117.98 118.98 1aly s PHE 229 Ca 0.13 -0.67 -0.30 0.00 0.12 0.00 0.00 56.93 56.21 1aly s PHE 229 Cb -0.12 -0.42 -0.04 0.00 -0.57 0.00 0.00 43.02 41.86 1aly s PHE 229 CO 0.02 -0.13 1.01 -2.00 -0.10 0.00 0.00 175.22 174.01 1aly s GLU 230 N -2.42 4.59 0.04 0.44 -6.30 -1.26 -0.49 118.70 113.30 1aly s GLU 230 Ca -0.03 1.49 0.07 0.00 -2.50 0.00 0.00 54.97 54.00 1aly s GLU 230 Cb -0.04 -3.41 -0.03 0.00 0.00 0.00 0.00 34.13 30.65 1aly s GLU 230 CO -0.02 0.01 -0.19 -0.51 0.02 0.00 0.00 175.26 174.56 1aly s LEU 231 N 0.65 2.54 0.54 2.70 1.43 0.94 -4.97 118.68 122.51 1aly s LEU 231 Ca 0.51 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 53.05 1aly s LEU 231 Cb -0.23 -1.48 -0.06 0.00 0.03 0.00 0.00 46.19 44.45 1aly s LEU 231 CO 0.29 0.26 0.95 -1.10 0.23 0.00 0.00 176.35 176.98 1aly s GLN 232 N -1.36 3.74 0.32 1.70 -1.52 -1.26 -1.21 119.66 120.07 1aly s GLN 232 Ca 0.14 0.72 -0.29 0.00 -1.95 0.00 0.00 55.36 53.98 1aly s GLN 232 Cb -0.10 -2.17 -0.11 0.00 -0.22 0.00 0.00 33.01 30.40 1aly s GLN 232 CO 0.04 -0.35 1.55 -2.30 -0.25 0.00 0.00 175.29 173.98 1aly n PRO 233 N -2.09 2.67 -0.05 2.91 -0.02 -1.26 -1.24 135.00 135.90 1aly n PRO 233 Ca 0.05 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 1aly n PRO 233 Cb 0.54 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1aly n PRO 233 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aly n GLY 234 N 1.52 2.59 0.65 -1.23 0.00 0.18 -4.81 105.19 104.09 1aly n GLY 234 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1aly n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aly n ALA 235 N -0.15 0.00 -2.83 4.61 0.00 -0.38 -4.61 120.51 117.15 1aly n ALA 235 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1aly n ALA 235 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1aly n ALA 235 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1aly s SER 236 N -4.00 5.69 0.05 0.00 1.04 0.24 -3.97 113.70 112.75 1aly s SER 236 Ca 0.00 -0.08 0.09 0.00 0.48 0.00 0.00 55.95 56.45 1aly s SER 236 Cb 0.00 -1.54 -0.03 0.00 0.10 0.00 0.00 66.02 64.55 1aly s SER 236 CO 0.00 0.05 -0.26 0.68 0.98 0.00 0.00 173.24 174.70 1aly s VAL 237 N -1.78 2.22 0.25 5.02 -7.23 -0.48 0.00 120.40 118.39 1aly s VAL 237 Ca 0.32 -1.40 -0.04 0.00 -1.81 0.00 0.00 61.98 59.05 1aly s VAL 237 Cb -0.10 -1.88 -0.02 0.00 0.56 0.00 0.00 36.38 34.94 1aly s VAL 237 CO 0.25 0.34 0.30 0.72 -0.31 0.00 0.00 175.10 176.40 1aly s PHE 238 N -0.84 0.95 -0.15 2.82 -0.71 -0.17 -0.84 117.98 119.05 1aly s PHE 238 Ca 0.12 -1.19 0.02 0.00 -1.04 0.00 0.00 56.93 54.84 1aly s PHE 238 Cb -0.10 -0.27 0.01 0.00 -1.21 0.00 0.00 43.02 41.44 1aly s PHE 238 CO 0.03 -0.84 -0.19 0.08 -1.34 0.00 0.00 175.22 172.96 1aly s VAL 239 N -3.90 2.27 0.04 -2.49 1.01 -1.26 -0.36 120.40 115.71 1aly s VAL 239 Ca 0.33 -0.90 -0.20 0.00 0.00 0.00 0.00 61.98 61.21 1aly s VAL 239 Cb 0.03 -1.93 -0.06 0.00 0.00 0.00 0.00 36.38 34.42 1aly s VAL 239 CO 0.14 0.54 0.57 0.21 0.00 0.00 0.00 175.10 176.55 1aly s ASN 240 N 0.88 7.03 0.12 3.32 2.47 -0.12 -0.79 114.94 127.85 1aly s ASN 240 Ca -0.05 1.22 0.05 0.00 0.42 0.00 0.00 52.86 54.50 1aly s ASN 240 Cb -0.15 -2.36 -0.04 0.00 -1.45 0.00 0.00 41.25 37.25 1aly s ASN 240 CO -0.03 0.21 -0.12 0.68 -3.72 0.00 0.00 177.10 174.12 1aly s VAL 241 N -0.77 1.20 0.27 -5.21 -7.23 -0.10 -0.94 120.40 107.62 1aly s VAL 241 Ca 0.29 -1.74 0.05 0.00 -1.81 0.00 0.00 61.98 58.77 1aly s VAL 241 Cb -0.19 -1.52 0.02 0.00 0.56 0.00 0.00 36.38 35.25 1aly s VAL 241 CO 0.18 -0.50 1.66 0.71 -0.31 0.00 0.00 175.10 176.84 1aly h THR 242 N 3.42 1.31 -2.15 5.32 1.35 -1.66 -3.41 112.91 117.11 1aly h THR 242 Ca -0.39 -1.57 -0.55 0.00 -0.55 0.00 0.00 66.41 63.35 1aly h THR 242 Cb 1.19 1.68 -0.41 0.00 -1.73 0.00 0.00 68.15 68.89 1aly h THR 242 CO 0.53 0.47 -0.86 0.47 -0.25 0.00 0.00 175.52 175.88 1aly n ASP 243 N -4.01 2.71 -0.07 5.36 9.92 -1.26 -4.95 116.55 124.24 1aly n ASP 243 Ca -0.02 -3.31 0.04 0.00 -0.53 0.00 0.00 54.79 50.97 1aly n ASP 243 Cb 0.50 -0.61 0.38 0.00 -0.64 0.00 0.00 41.12 40.75 1aly n ASP 243 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 1aly h PRO 244 N 3.32 0.66 -0.36 -0.24 0.11 -1.89 -0.34 132.00 133.26 1aly h PRO 244 Ca 0.13 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 66.27 1aly h PRO 244 Cb 0.72 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.66 1aly h PRO 244 CO 0.68 0.43 0.25 0.77 -0.21 0.00 0.00 178.00 179.92 1aly h SER 245 N 0.68 0.15 0.04 -2.05 0.02 -1.98 0.16 113.55 110.56 1aly h SER 245 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1aly h SER 245 Cb -0.04 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1aly h SER 245 CO -0.04 0.10 0.00 0.00 -1.14 0.00 0.00 176.83 175.74 1aly n GLN 246 N -4.47 0.80 -2.76 3.45 3.00 -0.14 -4.86 117.38 112.40 1aly n GLN 246 Ca 0.05 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.64 1aly n GLN 246 Cb 0.31 -1.50 -0.05 0.00 0.00 0.00 0.00 30.24 29.00 1aly n GLN 246 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 1aly s VAL 247 N -2.04 4.25 -0.53 5.09 -7.23 0.55 0.02 120.40 120.50 1aly s VAL 247 Ca 0.39 2.06 -0.27 0.00 -1.81 0.00 0.00 61.98 62.34 1aly s VAL 247 Cb 0.18 -4.31 0.03 0.00 0.56 0.00 0.00 36.38 32.84 1aly s VAL 247 CO 0.31 0.44 1.10 -0.44 -0.31 0.00 0.00 175.10 176.20 1aly s SER 248 N -0.75 6.48 -0.29 4.85 0.01 0.13 -4.85 113.70 119.28 1aly s SER 248 Ca 0.43 0.12 -0.04 0.00 1.31 0.00 0.00 55.95 57.77 1aly s SER 248 Cb -0.25 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.47 1aly s SER 248 CO 0.31 -1.32 2.80 1.41 0.41 0.00 0.00 173.24 176.85 1aly n HIS 249 N 7.93 1.10 -4.53 2.43 8.25 -1.26 -3.90 115.22 125.24 1aly n HIS 249 Ca 0.08 -1.78 0.00 0.00 -0.26 0.00 0.00 57.72 55.76 1aly n HIS 249 Cb 0.49 -1.30 0.00 0.00 1.12 0.00 0.00 29.99 30.29 1aly n HIS 249 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aly n GLY 250 N 1.21 -1.24 3.77 -1.41 0.00 -1.26 -4.87 105.19 101.39 1aly n GLY 250 Ca 0.41 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 1aly n GLY 250 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1aly s THR 251 N 0.00 3.27 0.00 2.61 -1.32 -1.26 -4.77 115.64 114.17 1aly s THR 251 Ca 0.00 1.18 0.00 0.00 -1.21 0.00 0.00 61.69 61.66 1aly s THR 251 Cb 0.00 -3.71 0.00 0.00 -1.51 0.00 0.00 72.50 67.28 1aly s THR 251 CO 0.00 0.21 0.00 0.61 -2.21 0.00 0.00 174.62 173.23 1aly n GLY 252 N 0.86 2.39 0.14 6.08 0.00 -1.26 -4.90 105.19 108.50 1aly n GLY 252 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 1aly n GLY 252 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1aly h PHE 253 N 0.00 0.85 -3.31 1.61 0.04 -1.86 -3.45 116.94 110.82 1aly h PHE 253 Ca 0.00 -0.62 -0.45 0.00 2.80 0.00 0.00 57.97 59.70 1aly h PHE 253 Cb 0.00 -0.03 -0.36 0.00 2.20 0.00 0.00 35.95 37.75 1aly h PHE 253 CO 0.00 1.51 -0.78 0.99 -0.60 0.00 0.00 178.31 179.43 1aly s THR 254 N -2.61 0.59 0.23 -1.55 2.01 -1.25 -3.35 115.64 109.70 1aly s THR 254 Ca -0.08 -0.06 -0.15 0.00 0.31 0.00 0.00 61.69 61.70 1aly s THR 254 Cb 0.05 -0.67 0.01 0.00 0.01 0.00 0.00 72.50 71.90 1aly s THR 254 CO 0.93 0.28 0.52 -0.94 -0.69 0.00 0.00 174.62 174.71 1aly s SER 255 N 1.55 -0.16 -0.23 3.53 1.04 -0.67 -0.24 113.70 118.51 1aly s SER 255 Ca -0.01 -0.73 -0.22 0.00 0.48 0.00 0.00 55.95 55.48 1aly s SER 255 Cb -0.13 0.60 0.06 0.00 0.10 0.00 0.00 66.02 66.65 1aly s SER 255 CO -0.04 -1.13 0.62 0.12 0.98 0.00 0.00 173.24 173.78 1aly s PHE 256 N -3.95 -0.67 0.00 5.02 5.36 -0.82 -1.12 117.98 121.80 1aly s PHE 256 Ca 0.16 1.63 0.00 0.00 -0.96 0.00 0.00 56.93 57.76 1aly s PHE 256 Cb -0.01 0.24 0.00 0.00 -0.34 0.00 0.00 43.02 42.90 1aly s PHE 256 CO 0.04 -0.34 0.00 0.41 -1.46 0.00 0.00 175.22 173.88 1aly n GLY 257 N 2.68 0.98 3.52 13.12 0.00 -0.06 -0.99 105.19 124.45 1aly n GLY 257 Ca -0.14 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 1aly n GLY 257 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1aly s LEU 258 N 0.00 -0.40 -0.06 0.99 0.05 -0.71 -1.77 118.68 116.77 1aly s LEU 258 Ca 0.00 -0.07 -0.04 0.00 0.05 0.00 0.00 54.13 54.07 1aly s LEU 258 Cb 0.00 2.25 0.03 0.00 -2.05 0.00 0.00 46.19 46.42 1aly s LEU 258 CO 0.00 -0.79 0.16 -1.48 -0.55 0.00 0.00 176.35 173.68 1aly s LEU 259 N -2.63 1.04 0.16 1.48 0.05 0.54 -0.77 118.68 118.55 1aly s LEU 259 Ca 0.05 0.32 -0.32 0.00 0.05 0.00 0.00 54.13 54.23 1aly s LEU 259 Cb -0.01 0.47 -0.11 0.00 -2.05 0.00 0.00 46.19 44.49 1aly s LEU 259 CO -0.08 -0.10 1.68 -0.75 -0.55 0.00 0.00 176.35 176.54 1aly s LYS 260 N 0.64 4.17 0.00 1.48 2.20 0.10 -0.42 119.74 127.91 1aly s LYS 260 Ca -0.05 2.49 0.29 0.00 -0.36 0.00 0.00 55.97 58.34 1aly s LYS 260 Cb -0.06 -3.25 1.31 0.00 -1.51 0.00 0.00 37.83 34.32 1aly s LYS 260 CO -0.03 -0.71 1.89 1.47 -0.36 0.00 0.00 175.35 177.61