#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hxr s LEU 93 N 0.00 4.19 -0.33 -3.43 2.96 -0.40 -4.92 118.68 116.75 2hxr s LEU 93 Ca 0.00 1.88 -0.11 0.00 -0.22 0.00 0.00 54.13 55.68 2hxr s LEU 93 Cb 0.00 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.15 2hxr s LEU 93 CO 0.00 -0.91 0.18 -0.13 -1.32 0.00 0.00 176.35 174.17 2hxr s ARG 94 N 3.90 3.31 -0.04 1.98 0.52 -1.26 -1.50 118.95 125.86 2hxr s ARG 94 Ca 0.64 -0.75 0.05 0.00 -0.52 0.00 0.00 55.73 55.15 2hxr s ARG 94 Cb -0.27 -3.65 -0.03 0.00 0.52 0.00 0.00 34.95 31.53 2hxr s ARG 94 CO 0.23 -0.46 -0.16 0.42 0.02 0.00 0.00 175.30 175.34 2hxr s ILE 95 N 1.63 2.88 0.00 1.52 1.01 0.14 -1.27 121.20 127.12 2hxr s ILE 95 Ca 0.05 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.90 2hxr s ILE 95 Cb -0.17 -2.12 -0.01 0.00 0.01 0.00 0.00 42.46 40.17 2hxr s ILE 95 CO 0.07 0.57 -0.07 0.00 0.00 0.00 0.00 174.94 175.51 2hxr s ALA 96 N -0.73 0.59 0.03 9.38 0.00 -0.86 -0.85 121.76 129.33 2hxr s ALA 96 Ca 0.12 -0.37 -0.05 0.00 0.00 0.00 0.00 51.96 51.66 2hxr s ALA 96 Cb -0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 2hxr s ALA 96 CO 0.01 0.12 0.07 0.14 0.00 0.00 0.00 175.76 176.11 2hxr s VAL 97 N -0.33 0.13 0.57 0.00 -7.23 -0.47 -1.18 120.40 111.88 2hxr s VAL 97 Ca 0.01 -1.09 -0.18 0.00 -1.81 0.00 0.00 61.98 58.91 2hxr s VAL 97 Cb -0.04 -0.83 -0.05 0.00 0.56 0.00 0.00 36.38 36.03 2hxr s VAL 97 CO -0.00 -0.60 1.09 0.42 -0.31 0.00 0.00 175.10 175.70 2hxr s THR 98 N -2.47 3.45 0.43 5.32 -4.23 -0.80 -4.13 115.64 113.22 2hxr s THR 98 Ca -0.06 0.81 0.28 0.00 -1.18 0.00 0.00 61.69 61.54 2hxr s THR 98 Cb -0.02 -3.30 0.47 0.00 1.34 0.00 0.00 72.50 70.99 2hxr s THR 98 CO -0.04 -0.29 1.65 1.55 -0.54 0.00 0.00 174.62 176.95 2hxr h PRO 99 N 0.86 0.13 -0.48 3.99 0.13 -1.93 -2.13 132.00 132.57 2hxr h PRO 99 Ca -0.49 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 2hxr h PRO 99 Cb 1.24 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2hxr h PRO 99 CO 0.57 0.09 0.09 1.79 -0.23 0.00 0.00 178.00 180.31 2hxr h THR 100 N 0.13 1.22 0.00 1.56 1.35 -1.99 -2.73 112.91 112.45 2hxr h THR 100 Ca 0.78 -0.80 -0.03 0.00 -0.55 0.00 0.00 66.41 65.81 2hxr h THR 100 Cb 2.40 0.75 -0.00 0.00 -1.73 0.00 0.00 68.15 69.56 2hxr h THR 100 CO -0.39 0.29 -0.15 -0.26 -0.25 0.00 0.00 175.52 174.76 2hxr h PHE 101 N 0.71 0.00 -0.36 4.73 -1.00 -1.75 -2.24 116.94 117.04 2hxr h PHE 101 Ca 0.16 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.93 2hxr h PHE 101 Cb 0.30 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.84 2hxr h PHE 101 CO 0.02 0.15 0.19 1.15 -1.61 0.00 0.00 178.31 178.21 2hxr h THR 102 N 0.00 1.12 -0.09 -1.55 2.02 -1.60 -0.08 112.91 112.73 2hxr h THR 102 Ca -0.00 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.88 2hxr h THR 102 Cb 0.30 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 2hxr h THR 102 CO 0.02 0.13 0.00 -1.20 0.37 0.00 0.00 175.52 174.84 2hxr n SER 103 N -4.44 0.88 0.00 4.18 7.64 -0.84 -4.54 113.62 116.51 2hxr n SER 103 Ca 0.02 -1.58 0.00 0.00 1.01 0.00 0.00 58.87 58.33 2hxr n SER 103 Cb 0.10 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 2hxr n SER 103 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hxr n TYR 104 N -0.20 0.00 -0.08 1.43 0.18 -1.07 -4.75 117.16 112.68 2hxr n TYR 104 Ca 0.15 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.87 2hxr n TYR 104 Cb 0.20 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.15 2hxr n TYR 104 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2hxr n PHE 105 N -0.50 0.69 -0.25 -3.48 7.35 -0.12 -4.65 117.46 116.50 2hxr n PHE 105 Ca 0.00 0.30 -0.01 0.00 -0.76 0.00 0.00 57.45 56.98 2hxr n PHE 105 Cb 0.00 -0.70 0.20 0.00 0.35 0.00 0.00 39.48 39.33 2hxr n PHE 105 CO 0.00 0.00 0.00 -0.84 -0.76 0.00 0.00 176.76 175.16 2hxr h ILE 106 N -1.00 1.21 0.29 -2.13 -0.00 -1.64 -3.13 117.51 111.12 2hxr h ILE 106 Ca 0.00 -0.43 -0.00 0.00 -0.00 0.00 0.00 64.86 64.42 2hxr h ILE 106 Cb 0.64 0.07 -0.03 0.00 -0.00 0.00 0.00 36.82 37.50 2hxr h ILE 106 CO 0.00 0.22 -0.47 1.23 -0.00 0.00 0.00 178.15 179.13 2hxr h GLY 107 N 1.10 -1.20 0.52 0.16 0.00 -1.80 -2.98 103.07 98.87 2hxr h GLY 107 Ca 0.29 0.60 0.05 0.00 0.00 0.00 0.00 47.33 48.27 2hxr h GLY 107 CO -0.06 -0.33 0.00 -2.55 0.00 0.00 0.00 176.54 173.61 2hxr h PRO 108 N -0.81 0.09 0.00 4.80 0.11 -1.82 -0.87 132.00 133.50 2hxr h PRO 108 Ca -0.03 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2hxr h PRO 108 Cb 0.75 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.84 2hxr h PRO 108 CO -0.15 0.06 0.00 -0.11 -0.21 0.00 0.00 178.00 177.59 2hxr n LEU 109 N -5.16 0.00 0.00 2.35 7.94 -1.13 -1.15 117.00 119.85 2hxr n LEU 109 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2hxr n LEU 109 Cb 0.16 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.11 2hxr n LEU 109 CO 0.23 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.51 2hxr n ALA 111 N 0.39 0.00 -0.09 1.96 0.00 -0.33 -1.05 120.51 121.39 2hxr n ALA 111 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2hxr n ALA 111 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2hxr n ALA 111 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2hxr h ASP 112 N 0.00 0.39 0.03 0.00 3.32 -1.39 -1.25 116.42 117.53 2hxr h ASP 112 Ca 0.00 -0.14 0.01 0.00 0.02 0.00 0.00 57.03 56.91 2hxr h ASP 112 Cb 0.00 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2hxr h ASP 112 CO 0.00 0.43 -0.06 0.15 -1.72 0.00 0.00 179.24 178.04 2hxr h PHE 113 N 0.33 -0.16 -0.60 4.55 3.04 -1.35 -0.61 116.94 122.15 2hxr h PHE 113 Ca 0.10 0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.13 2hxr h PHE 113 Cb 0.15 0.07 -0.06 0.00 2.56 0.00 0.00 35.95 38.67 2hxr h PHE 113 CO -0.01 -0.10 0.28 -0.92 -2.02 0.00 0.00 178.31 175.53 2hxr h TYR 114 N -0.13 0.49 -0.70 0.41 3.20 -1.79 0.66 116.97 119.11 2hxr h TYR 114 Ca 0.02 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.94 2hxr h TYR 114 Cb 0.14 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 2hxr h TYR 114 CO -0.12 0.19 0.44 0.00 -1.64 0.00 0.00 178.16 177.03 2hxr h ALA 115 N 1.37 0.92 -0.23 1.82 0.00 -0.77 -0.51 119.26 121.86 2hxr h ALA 115 Ca 0.29 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.98 2hxr h ALA 115 Cb 0.28 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2hxr h ALA 115 CO -0.24 0.23 -0.62 0.00 0.00 0.00 0.00 179.25 178.62 2hxr h ARG 116 N 0.87 0.82 -2.26 0.00 3.08 -0.21 -3.38 114.38 113.29 2hxr h ARG 116 Ca 0.28 -0.58 -0.59 0.00 0.07 0.00 0.00 59.98 59.16 2hxr h ARG 116 Cb 0.01 0.09 -0.41 0.00 0.08 0.00 0.00 29.97 29.74 2hxr h ARG 116 CO -0.10 1.20 -0.79 0.66 -1.07 0.00 0.00 179.97 179.87 2hxr n TYR 117 N -4.01 1.89 0.13 3.04 4.01 0.22 -4.96 117.16 117.48 2hxr n TYR 117 Ca -0.06 -3.91 0.18 0.00 -0.16 0.00 0.00 57.90 53.95 2hxr n TYR 117 Cb 0.66 -0.42 0.76 0.00 -0.31 0.00 0.00 39.34 40.03 2hxr n TYR 117 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2hxr h PRO 118 N 4.41 0.00 0.00 -0.72 0.11 -1.29 -2.58 132.00 131.93 2hxr h PRO 118 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2hxr h PRO 118 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2hxr h PRO 118 CO 0.66 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.32 2hxr n SER 119 N -4.04 0.00 -4.65 -2.05 3.41 -1.26 -4.77 113.62 100.26 2hxr n SER 119 Ca 0.05 0.28 -0.39 0.00 -0.26 0.00 0.00 58.87 58.55 2hxr n SER 119 Cb 0.43 -0.42 -0.08 0.00 -0.26 0.00 0.00 64.21 63.89 2hxr n SER 119 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2hxr s ILE 120 N -2.84 5.16 0.04 -1.33 1.01 -0.97 -4.95 121.20 117.31 2hxr s ILE 120 Ca 0.18 0.76 -0.30 0.00 0.00 0.00 0.00 60.65 61.28 2hxr s ILE 120 Cb 0.18 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.84 2hxr s ILE 120 CO 0.46 0.20 1.12 -0.89 0.00 0.00 0.00 174.94 175.82 2hxr s THR 121 N 1.63 4.35 -0.00 2.92 2.01 -1.26 -4.93 115.64 120.34 2hxr s THR 121 Ca 0.20 1.68 0.04 0.00 0.31 0.00 0.00 61.69 63.92 2hxr s THR 121 Cb -0.15 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 2hxr s THR 121 CO 0.09 0.13 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.28 2hxr s LEU 122 N 1.06 2.96 -0.09 4.42 1.43 -1.26 -1.28 118.68 125.91 2hxr s LEU 122 Ca 0.56 -0.21 -0.00 0.00 -1.03 0.00 0.00 54.13 53.45 2hxr s LEU 122 Cb -0.26 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.29 2hxr s LEU 122 CO 0.29 0.29 -0.05 -1.58 0.23 0.00 0.00 176.35 175.53 2hxr s GLN 123 N -1.24 1.16 -0.12 1.70 0.74 -0.56 -4.98 119.66 116.35 2hxr s GLN 123 Ca 0.15 -0.13 0.03 0.00 0.05 0.00 0.00 55.36 55.47 2hxr s GLN 123 Cb -0.11 -1.29 0.00 0.00 1.10 0.00 0.00 33.01 32.72 2hxr s GLN 123 CO 0.05 -0.24 -0.23 -1.17 -0.55 0.00 0.00 175.29 173.15 2hxr s LEU 124 N 1.65 2.10 -0.04 3.68 2.96 -1.26 0.26 118.68 128.03 2hxr s LEU 124 Ca 0.02 -0.58 0.02 0.00 -0.22 0.00 0.00 54.13 53.37 2hxr s LEU 124 Cb -0.13 -1.43 0.01 0.00 0.50 0.00 0.00 46.19 45.15 2hxr s LEU 124 CO -0.06 0.12 -0.09 -1.10 -1.32 0.00 0.00 176.35 173.91 2hxr s GLN 125 N 0.55 1.14 0.02 1.98 -0.21 -0.03 -5.01 119.66 118.10 2hxr s GLN 125 Ca -0.14 -0.29 -0.02 0.00 0.02 0.00 0.00 55.36 54.94 2hxr s GLN 125 Cb -0.17 -1.03 -0.04 0.00 1.00 0.00 0.00 33.01 32.77 2hxr s GLN 125 CO 0.04 0.04 0.19 -1.83 -2.12 0.00 0.00 175.29 171.61 2hxr s GLU 126 N 0.51 3.43 0.63 2.91 -1.05 -1.26 -1.37 118.70 122.49 2hxr s GLU 126 Ca -0.09 -0.37 -0.14 0.00 -0.15 0.00 0.00 54.97 54.22 2hxr s GLU 126 Cb -0.12 -3.07 -0.02 0.00 -0.44 0.00 0.00 34.13 30.48 2hxr s GLU 126 CO 0.01 0.65 1.05 -1.54 0.95 0.00 0.00 175.26 176.39 2hxr s SER 128 N -2.16 5.69 0.22 0.83 1.04 -1.26 -4.93 113.70 113.13 2hxr s SER 128 Ca 0.30 1.73 -0.10 0.00 0.48 0.00 0.00 55.95 58.36 2hxr s SER 128 Cb -0.13 -2.52 0.17 0.00 0.10 0.00 0.00 66.02 63.65 2hxr s SER 128 CO 0.22 -1.23 1.89 -0.61 0.98 0.00 0.00 173.24 174.49 2hxr h GLN 129 N 0.04 1.03 -0.35 4.02 4.15 -1.96 -1.78 115.11 120.27 2hxr h GLN 129 Ca -0.46 -0.06 0.06 0.00 0.77 0.00 0.00 58.65 58.97 2hxr h GLN 129 Cb 1.21 -0.23 -0.06 0.00 0.21 0.00 0.00 27.48 28.61 2hxr h GLN 129 CO 0.57 0.68 -0.02 0.93 -1.93 0.00 0.00 178.83 179.06 2hxr h GLU 130 N 1.06 0.07 -0.34 1.69 3.07 -2.02 0.10 114.58 118.21 2hxr h GLU 130 Ca 0.29 -0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.10 2hxr h GLU 130 Cb -0.12 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.76 2hxr h GLU 130 CO -0.07 0.04 0.00 0.87 -1.40 0.00 0.00 179.01 178.46 2hxr h LYS 131 N 0.07 0.53 -0.28 2.33 1.57 -1.89 -0.58 116.57 118.32 2hxr h LYS 131 Ca 0.17 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 2hxr h LYS 131 Cb 0.24 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2hxr h LYS 131 CO -0.30 0.56 -0.05 0.82 -0.57 0.00 0.00 179.45 179.91 2hxr h ILE 132 N 0.51 1.28 -0.71 1.86 2.04 -0.44 -3.07 117.51 118.97 2hxr h ILE 132 Ca 0.11 -1.05 -0.05 0.00 1.00 0.00 0.00 64.86 64.87 2hxr h ILE 132 Cb 0.33 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 2hxr h ILE 132 CO 0.01 0.33 0.25 -0.33 0.00 0.00 0.00 178.15 178.41 2hxr h GLU 133 N 0.30 1.08 -0.94 2.37 5.08 -0.47 -1.62 114.58 120.39 2hxr h GLU 133 Ca 0.07 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2hxr h GLU 133 Cb 0.51 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2hxr h GLU 133 CO 0.02 0.91 0.00 -3.47 -1.00 0.00 0.00 179.01 175.48 2hxr n ASP 134 N -4.32 0.61 0.00 1.42 2.03 -0.26 -2.13 116.55 113.91 2hxr n ASP 134 Ca 0.05 -0.64 0.00 0.00 0.52 0.00 0.00 54.79 54.72 2hxr n ASP 134 Cb 0.20 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 2hxr n ASP 134 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2hxr n LEU 136 N 0.57 0.00 0.25 -2.67 4.77 -0.61 -2.03 117.00 117.29 2hxr n LEU 136 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.06 2hxr n LEU 136 Cb 0.12 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 41.82 2hxr n LEU 136 CO 0.00 0.00 1.04 0.00 -1.33 0.00 0.00 177.39 177.10 2hxr n ARG 138 N -4.49 2.86 -3.52 0.00 1.74 -0.86 -4.93 116.66 107.46 2hxr n ARG 138 Ca -0.03 -2.23 -0.26 0.00 -0.77 0.00 0.00 57.85 54.56 2hxr n ARG 138 Cb 0.12 -1.64 0.01 0.00 -1.02 0.00 0.00 32.46 29.93 2hxr n ARG 138 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2hxr n ASP 139 N 1.03 -4.40 -0.61 0.55 8.00 -0.29 -4.83 116.55 115.99 2hxr n ASP 139 Ca 0.20 -0.52 0.12 0.00 0.71 0.00 0.00 54.79 55.31 2hxr n ASP 139 Cb 0.64 -3.58 0.18 0.00 -0.02 0.00 0.00 41.12 38.35 2hxr n ASP 139 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2hxr n GLU 140 N -4.09 1.61 -3.96 -1.24 1.02 -1.26 -4.91 120.64 107.81 2hxr n GLU 140 Ca -0.01 -1.23 -0.09 0.00 -0.02 0.00 0.00 57.16 55.81 2hxr n GLU 140 Cb 0.55 -1.47 -0.10 0.00 -0.02 0.00 0.00 31.44 30.39 2hxr n GLU 140 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2hxr s LEU 141 N -2.24 1.97 -0.25 -4.62 1.43 -1.26 -4.95 118.68 108.77 2hxr s LEU 141 Ca 0.26 -0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 52.73 2hxr s LEU 141 Cb 0.19 0.47 -0.17 0.00 0.03 0.00 0.00 46.19 46.72 2hxr s LEU 141 CO 0.43 -0.50 -0.21 0.47 0.23 0.00 0.00 176.35 176.78 2hxr n ASP 142 N 0.78 1.98 -3.81 2.29 8.00 -0.40 -4.74 116.55 120.65 2hxr n ASP 142 Ca -0.19 -0.01 -0.12 0.00 0.71 0.00 0.00 54.79 55.17 2hxr n ASP 142 Cb 0.58 -0.53 -0.11 0.00 -0.02 0.00 0.00 41.12 41.04 2hxr n ASP 142 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2hxr s VAL 143 N -2.52 0.02 0.17 2.53 0.11 -1.07 -4.68 120.40 114.97 2hxr s VAL 143 Ca -0.35 -0.17 0.07 0.00 -2.93 0.00 0.00 61.98 58.60 2hxr s VAL 143 Cb 0.10 -0.36 -0.04 0.00 -1.53 0.00 0.00 36.38 34.55 2hxr s VAL 143 CO 0.59 -0.09 -0.13 -0.83 -3.33 0.00 0.00 175.10 171.31 2hxr s GLY 144 N -0.28 1.26 -0.13 6.54 0.00 -0.40 -2.03 107.32 112.29 2hxr s GLY 144 Ca -0.04 -1.55 -0.01 0.00 0.00 0.00 0.00 44.72 43.12 2hxr s GLY 144 CO 0.01 -1.64 -0.02 -0.42 0.00 0.00 0.00 173.10 171.03 2hxr s ILE 145 N -2.91 0.72 0.00 0.90 1.01 -0.33 0.66 121.20 121.25 2hxr s ILE 145 Ca 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.56 2hxr s ILE 145 Cb -0.01 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.55 2hxr s ILE 145 CO 0.04 0.17 0.00 0.00 0.00 0.00 0.00 174.94 175.15 2hxr n ALA 146 N 5.02 0.00 -2.35 9.38 0.00 -0.31 -1.90 120.51 130.35 2hxr n ALA 146 Ca -0.10 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.16 2hxr n ALA 146 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.84 2hxr n ALA 146 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2hxr s PHE 147 N 0.50 1.69 0.27 0.00 0.08 -1.26 0.82 117.98 120.07 2hxr s PHE 147 Ca 0.00 -0.68 -0.19 0.00 0.12 0.00 0.00 56.93 56.18 2hxr s PHE 147 Cb 0.00 -0.87 -0.09 0.00 -0.57 0.00 0.00 43.02 41.49 2hxr s PHE 147 CO 0.00 0.25 0.77 0.00 -0.10 0.00 0.00 175.22 176.13 2hxr s ALA 148 N -3.09 3.35 0.27 5.36 0.00 -0.43 -4.13 121.76 123.09 2hxr s ALA 148 Ca 0.24 0.19 -0.18 0.00 0.00 0.00 0.00 51.96 52.22 2hxr s ALA 148 Cb 0.02 -2.87 -0.09 0.00 0.00 0.00 0.00 23.12 20.18 2hxr s ALA 148 CO 0.07 0.30 0.74 -1.25 0.00 0.00 0.00 175.76 175.62 2hxr s PRO 149 N -2.29 4.16 0.06 0.00 0.04 -1.26 -4.67 135.00 131.04 2hxr s PRO 149 Ca 0.48 0.80 -0.23 0.00 0.04 0.00 0.00 61.00 62.09 2hxr s PRO 149 Cb -0.15 -2.67 -0.06 0.00 0.04 0.00 0.00 34.50 31.66 2hxr s PRO 149 CO 0.20 0.28 0.68 0.08 0.04 0.00 0.00 177.00 178.28 2hxr s VAL 150 N -1.73 4.71 -0.18 -0.36 1.01 -1.26 -4.98 120.40 117.61 2hxr s VAL 150 Ca 0.48 1.46 0.20 0.00 0.00 0.00 0.00 61.98 64.13 2hxr s VAL 150 Cb -0.14 -4.03 -0.08 0.00 0.00 0.00 0.00 36.38 32.13 2hxr s VAL 150 CO 0.19 0.45 0.89 1.41 0.00 0.00 0.00 175.10 178.04 2hxr n HIS 151 N 2.34 0.87 -3.31 5.22 8.25 -1.26 -4.86 115.22 122.47 2hxr n HIS 151 Ca -0.06 0.27 -0.39 0.00 -0.26 0.00 0.00 57.72 57.28 2hxr n HIS 151 Cb 0.50 -0.97 -0.08 0.00 1.12 0.00 0.00 29.99 30.57 2hxr n HIS 151 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2hxr s SER 152 N -5.43 6.40 0.44 0.41 0.15 -1.26 -4.97 113.70 109.43 2hxr s SER 152 Ca -0.02 0.47 0.18 0.00 0.70 0.00 0.00 55.95 57.27 2hxr s SER 152 Cb 0.10 -2.25 1.01 0.00 -1.71 0.00 0.00 66.02 63.17 2hxr s SER 152 CO 0.81 -0.20 1.95 -0.65 1.20 0.00 0.00 173.24 176.34 2hxr h PRO 153 N 7.86 0.00 0.00 5.44 0.11 -2.02 -2.75 132.00 140.65 2hxr h PRO 153 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2hxr h PRO 153 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2hxr h PRO 153 CO 0.70 0.24 0.00 0.39 -0.21 0.00 0.00 178.00 179.11 2hxr n GLU 154 N -4.03 0.80 -4.45 1.05 4.71 -1.26 -4.77 120.64 112.69 2hxr n GLU 154 Ca -0.02 0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 56.80 2hxr n GLU 154 Cb 0.31 -1.47 -0.10 0.00 -1.01 0.00 0.00 31.44 29.16 2hxr n GLU 154 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2hxr s LEU 155 N -1.95 3.28 -0.13 -4.62 1.43 -1.04 -1.11 118.68 114.54 2hxr s LEU 155 Ca 0.36 -0.06 -0.06 0.00 -1.03 0.00 0.00 54.13 53.34 2hxr s LEU 155 Cb 0.17 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 2hxr s LEU 155 CO 0.28 0.31 0.10 -0.70 0.23 0.00 0.00 176.35 176.57 2hxr s GLU 156 N -1.26 3.52 -0.09 1.70 2.56 -0.18 -4.82 118.70 120.13 2hxr s GLU 156 Ca 0.16 -0.22 0.04 0.00 0.00 0.00 0.00 54.97 54.95 2hxr s GLU 156 Cb -0.11 -3.15 -0.01 0.00 2.00 0.00 0.00 34.13 32.86 2hxr s GLU 156 CO 0.06 0.63 -0.22 0.00 -0.56 0.00 0.00 175.26 175.17 2hxr s ALA 157 N -0.63 2.25 -0.19 6.30 0.00 -1.26 -2.66 121.76 125.57 2hxr s ALA 157 Ca 0.12 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.11 2hxr s ALA 157 Cb -0.12 -0.84 0.03 0.00 0.00 0.00 0.00 23.12 22.19 2hxr s ALA 157 CO 0.02 0.33 -0.18 0.42 0.00 0.00 0.00 175.76 176.35 2hxr s ILE 158 N 0.15 2.10 0.24 0.00 1.01 -0.55 -4.92 121.20 119.24 2hxr s ILE 158 Ca -0.12 -1.05 -0.30 0.00 0.00 0.00 0.00 60.65 59.18 2hxr s ILE 158 Cb -0.16 -1.94 -0.14 0.00 0.01 0.00 0.00 42.46 40.22 2hxr s ILE 158 CO 0.07 0.44 1.19 -2.65 0.00 0.00 0.00 174.94 173.99 2hxr n PRO 159 N 4.59 1.54 -0.01 2.79 -0.02 -1.26 -1.06 135.00 141.57 2hxr n PRO 159 Ca -0.20 0.54 -0.05 0.00 -2.02 0.00 0.00 63.50 61.78 2hxr n PRO 159 Cb 0.49 -2.05 -0.02 0.00 -0.02 0.00 0.00 33.50 31.90 2hxr n PRO 159 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2hxr n LEU 160 N 1.69 1.16 -3.82 2.45 4.77 0.10 -4.82 117.00 118.53 2hxr n LEU 160 Ca 0.11 0.17 -0.04 0.00 -0.03 0.00 0.00 56.01 56.23 2hxr n LEU 160 Cb 0.30 -0.41 0.01 0.00 -2.33 0.00 0.00 43.42 40.99 2hxr n LEU 160 CO 0.61 -0.38 0.72 -1.48 -1.33 0.00 0.00 177.39 175.54 2hxr s LEU 161 N -7.05 -0.08 -0.19 2.23 -0.00 -1.20 -4.87 118.68 107.53 2hxr s LEU 161 Ca -0.10 -0.64 -0.07 0.00 -0.00 0.00 0.00 54.13 53.33 2hxr s LEU 161 Cb 0.02 2.25 -0.04 0.00 -0.00 0.00 0.00 46.19 48.42 2hxr s LEU 161 CO 0.14 -1.07 0.04 -0.89 -0.00 0.00 0.00 176.35 174.57 2hxr s THR 162 N -2.69 4.54 -0.21 5.48 2.01 -1.26 -0.09 115.64 123.43 2hxr s THR 162 Ca 0.17 -0.12 -0.05 0.00 0.31 0.00 0.00 61.69 62.00 2hxr s THR 162 Cb -0.03 -3.05 -0.02 0.00 0.01 0.00 0.00 72.50 69.42 2hxr s THR 162 CO 0.05 0.45 -0.01 -0.70 -0.69 0.00 0.00 174.62 173.72 2hxr s GLU 163 N 0.54 3.54 -0.09 4.92 2.12 0.73 -4.95 118.70 125.51 2hxr s GLU 163 Ca 0.02 -0.56 0.04 0.00 0.36 0.00 0.00 54.97 54.83 2hxr s GLU 163 Cb -0.13 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.20 2hxr s GLU 163 CO 0.01 -0.06 -0.22 -1.54 -0.54 0.00 0.00 175.26 172.91 2hxr s SER 164 N 1.18 2.83 0.28 -1.70 1.04 -1.26 -0.51 113.70 115.56 2hxr s SER 164 Ca 0.03 -0.51 -0.29 0.00 0.48 0.00 0.00 55.95 55.66 2hxr s SER 164 Cb -0.14 -1.27 -0.10 0.00 0.10 0.00 0.00 66.02 64.61 2hxr s SER 164 CO 0.01 0.14 1.24 -0.76 0.98 0.00 0.00 173.24 174.85 2hxr s LEU 165 N 0.38 4.46 0.24 2.42 1.43 -0.22 -1.98 118.68 125.41 2hxr s LEU 165 Ca -0.17 2.48 0.03 0.00 -1.03 0.00 0.00 54.13 55.44 2hxr s LEU 165 Cb -0.17 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.36 2hxr s LEU 165 CO 0.08 -0.41 0.03 0.00 0.23 0.00 0.00 176.35 176.27 2hxr s ALA 166 N -0.82 1.79 -0.46 4.21 0.00 0.65 -4.62 121.76 122.52 2hxr s ALA 166 Ca 0.49 -1.80 -0.23 0.00 0.00 0.00 0.00 51.96 50.42 2hxr s ALA 166 Cb -0.36 0.65 0.03 0.00 0.00 0.00 0.00 23.12 23.43 2hxr s ALA 166 CO 0.46 -0.31 0.81 -1.17 0.00 0.00 0.00 175.76 175.54 2hxr s LEU 167 N -3.31 4.23 -0.21 0.00 0.20 -0.63 -1.79 118.68 117.17 2hxr s LEU 167 Ca 0.31 -0.11 -0.13 0.00 0.69 0.00 0.00 54.13 54.88 2hxr s LEU 167 Cb 0.07 -2.97 -0.04 0.00 -0.43 0.00 0.00 46.19 42.81 2hxr s LEU 167 CO 0.10 -0.95 0.29 -0.69 -0.29 0.00 0.00 176.35 174.81 2hxr s VAL 168 N 3.37 5.28 0.25 1.68 1.01 0.13 0.04 120.40 132.15 2hxr s VAL 168 Ca 0.30 0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.78 2hxr s VAL 168 Cb -0.12 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2hxr s VAL 168 CO 0.23 0.30 0.13 0.68 0.00 0.00 0.00 175.10 176.44 2hxr s VAL 169 N 1.11 0.30 0.57 2.92 -7.23 -0.05 -1.96 120.40 116.06 2hxr s VAL 169 Ca 0.14 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.23 2hxr s VAL 169 Cb -0.14 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.21 2hxr s VAL 169 CO 0.06 0.00 0.92 0.00 -0.31 0.00 0.00 175.10 175.77 2hxr s ALA 170 N -3.84 3.23 0.57 1.32 0.00 -1.26 0.03 121.76 121.80 2hxr s ALA 170 Ca 0.38 -0.32 0.25 0.00 0.00 0.00 0.00 51.96 52.27 2hxr s ALA 170 Cb 0.07 -2.84 1.62 0.00 0.00 0.00 0.00 23.12 21.97 2hxr s ALA 170 CO 0.14 -0.59 2.19 1.96 0.00 0.00 0.00 175.76 179.47 2hxr h GLN 171 N -0.11 0.00 -0.25 0.00 1.08 -1.84 -1.18 115.11 112.82 2hxr h GLN 171 Ca -0.45 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 2hxr h GLN 171 Cb 1.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 2hxr h GLN 171 CO 0.62 0.00 0.00 -2.39 -0.95 0.00 0.00 178.83 176.11 2hxr n HIS 172 N -4.06 0.33 -2.55 2.96 1.44 -1.26 -4.76 115.22 107.32 2hxr n HIS 172 Ca -0.02 -0.16 -0.40 0.00 -2.01 0.00 0.00 57.72 55.12 2hxr n HIS 172 Cb 0.14 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.21 2hxr n HIS 172 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2hxr s HIS 173 N -1.67 3.68 0.42 -1.40 5.04 -0.45 -4.93 115.29 115.98 2hxr s HIS 173 Ca 0.26 1.72 0.21 0.00 -1.54 0.00 0.00 55.06 55.71 2hxr s HIS 173 Cb 0.13 -3.21 1.18 0.00 0.04 0.00 0.00 32.58 30.72 2hxr s HIS 173 CO 0.19 -0.33 1.77 -1.35 -2.34 0.00 0.00 174.74 172.68 2hxr h PRO 174 N 4.26 0.32 -0.01 2.88 0.11 -1.90 0.53 132.00 138.19 2hxr h PRO 174 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2hxr h PRO 174 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2hxr h PRO 174 CO 0.69 0.21 -0.19 1.28 -0.21 0.00 0.00 178.00 179.77 2hxr n LEU 175 N -4.57 1.18 0.04 2.35 4.77 -1.26 -3.98 117.00 115.53 2hxr n LEU 175 Ca 0.25 -0.34 0.04 0.00 -0.03 0.00 0.00 56.01 55.94 2hxr n LEU 175 Cb 0.94 -0.09 0.21 0.00 -2.33 0.00 0.00 43.42 42.15 2hxr n LEU 175 CO 0.27 0.21 0.63 0.00 -1.33 0.00 0.00 177.39 177.18 2hxr n ALA 176 N -0.42 1.19 0.34 -1.18 0.00 0.18 -1.42 120.51 119.19 2hxr n ALA 176 Ca 0.14 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.74 2hxr n ALA 176 Cb 0.35 -1.13 0.27 0.00 0.00 0.00 0.00 19.45 18.94 2hxr n ALA 176 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2hxr h VAL 177 N 0.00 0.00 -2.57 0.00 2.07 -1.74 -3.45 116.25 110.55 2hxr h VAL 177 Ca 0.00 -0.82 -0.47 0.00 0.82 0.00 0.00 66.70 66.23 2hxr h VAL 177 Cb 0.08 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2hxr h VAL 177 CO 0.00 0.00 -0.27 -1.00 0.02 0.00 0.00 177.57 176.32 2hxr s HIS 178 N -3.21 3.46 -0.21 1.57 4.02 -0.51 -5.01 115.29 115.40 2hxr s HIS 178 Ca 0.08 0.21 0.13 0.00 1.02 0.00 0.00 55.06 56.49 2hxr s HIS 178 Cb 0.07 -1.82 -0.23 0.00 -1.02 0.00 0.00 32.58 29.59 2hxr s HIS 178 CO 0.64 0.19 0.03 -1.91 1.02 0.00 0.00 174.74 174.71 2hxr n GLU 179 N -1.68 0.68 -4.02 1.40 4.07 -1.26 -4.86 120.64 114.97 2hxr n GLU 179 Ca -0.06 0.05 -0.11 0.00 -0.06 0.00 0.00 57.16 56.99 2hxr n GLU 179 Cb 0.57 -1.54 -0.11 0.00 -0.06 0.00 0.00 31.44 30.29 2hxr n GLU 179 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 2hxr s GLN 180 N -2.50 0.41 0.01 5.31 0.74 -1.26 -1.51 119.66 120.86 2hxr s GLN 180 Ca -0.17 -0.66 -0.04 0.00 0.05 0.00 0.00 55.36 54.54 2hxr s GLN 180 Cb 0.07 -0.10 -0.01 0.00 1.10 0.00 0.00 33.01 34.07 2hxr s GLN 180 CO 0.77 0.00 0.06 0.54 -0.55 0.00 0.00 175.29 176.11 2hxr s VAL 181 N -1.37 0.10 0.27 1.34 0.11 0.22 -4.91 120.40 116.16 2hxr s VAL 181 Ca -0.12 -0.84 -0.29 0.00 -2.93 0.00 0.00 61.98 57.79 2hxr s VAL 181 Cb -0.10 -0.42 -0.10 0.00 -1.53 0.00 0.00 36.38 34.23 2hxr s VAL 181 CO -0.00 -0.46 1.30 0.00 -3.33 0.00 0.00 175.10 172.60 2hxr s ALA 182 N -1.58 3.51 0.51 1.54 0.00 -1.26 0.32 121.76 124.80 2hxr s ALA 182 Ca -0.14 1.17 0.28 0.00 0.00 0.00 0.00 51.96 53.27 2hxr s ALA 182 Cb -0.08 -3.47 1.39 0.00 0.00 0.00 0.00 23.12 20.96 2hxr s ALA 182 CO -0.00 -0.56 1.90 1.25 0.00 0.00 0.00 175.76 178.35 2hxr h LEU 183 N 4.33 0.09 -1.90 0.00 5.85 -1.90 0.10 115.31 121.88 2hxr h LEU 183 Ca -0.47 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.26 2hxr h LEU 183 Cb 1.22 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2hxr h LEU 183 CO 0.71 0.03 0.00 0.77 -0.34 0.00 0.00 178.44 179.61 2hxr h SER 184 N 0.08 0.00 0.28 1.25 4.64 -1.97 -2.07 113.55 115.77 2hxr h SER 184 Ca 0.41 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.71 2hxr h SER 184 Cb 1.51 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.59 2hxr h SER 184 CO -0.04 0.00 -0.12 0.03 -0.87 0.00 0.00 176.83 175.82 2hxr h ARG 185 N 0.00 0.00 -0.47 4.77 2.47 -1.16 -2.70 114.38 117.29 2hxr h ARG 185 Ca 0.00 0.00 0.11 0.00 -1.26 0.00 0.00 59.98 58.83 2hxr h ARG 185 Cb 0.11 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.40 2hxr h ARG 185 CO 0.00 0.12 0.33 -0.07 0.56 0.00 0.00 179.97 180.91 2hxr h LEU 186 N 0.00 0.13 -0.91 3.04 4.07 -1.57 -2.32 115.31 117.76 2hxr h LEU 186 Ca -0.00 0.00 0.12 0.00 0.08 0.00 0.00 57.88 58.09 2hxr h LEU 186 Cb 0.30 -0.02 -0.08 0.00 1.08 0.00 0.00 40.66 41.93 2hxr h LEU 186 CO 0.02 0.08 0.54 -0.74 -1.08 0.00 0.00 178.44 177.25 2hxr h HIS 187 N 0.15 0.97 -0.01 1.13 2.76 -1.71 -1.49 115.15 116.95 2hxr h HIS 187 Ca 0.22 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 2hxr h HIS 187 Cb 0.68 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.35 2hxr h HIS 187 CO -0.00 0.34 -0.02 -0.25 -1.30 0.00 0.00 177.93 176.71 2hxr n ASP 188 N -4.72 1.34 -4.77 3.26 8.00 -0.87 -4.55 116.55 114.23 2hxr n ASP 188 Ca 0.17 -1.41 -0.40 0.00 0.71 0.00 0.00 54.79 53.87 2hxr n ASP 188 Cb 0.36 0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.41 2hxr n ASP 188 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2hxr s GLU 189 N -2.04 4.56 -0.27 -1.24 0.41 -0.56 -5.02 118.70 114.55 2hxr s GLU 189 Ca 0.38 1.15 -0.14 0.00 -0.41 0.00 0.00 54.97 55.95 2hxr s GLU 189 Cb 0.21 -3.29 -0.04 0.00 -1.78 0.00 0.00 34.13 29.23 2hxr s GLU 189 CO 0.35 0.50 0.34 0.15 -0.49 0.00 0.00 175.26 176.11 2hxr s LYS 190 N -0.90 4.01 0.13 1.61 1.02 -1.26 -3.51 119.74 120.85 2hxr s LYS 190 Ca 0.37 -0.02 0.06 0.00 0.02 0.00 0.00 55.97 56.39 2hxr s LYS 190 Cb -0.23 -3.65 -0.04 0.00 -0.52 0.00 0.00 37.83 33.39 2hxr s LYS 190 CO 0.26 -0.24 0.02 -0.51 -0.92 0.00 0.00 175.35 173.95 2hxr s LEU 191 N 1.96 3.44 -0.21 3.17 1.43 0.10 -2.48 118.68 126.10 2hxr s LEU 191 Ca 0.14 -0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 52.96 2hxr s LEU 191 Cb -0.16 -2.13 0.01 0.00 0.03 0.00 0.00 46.19 43.95 2hxr s LEU 191 CO 0.10 0.13 -0.12 -0.69 0.23 0.00 0.00 176.35 175.99 2hxr s VAL 192 N -1.54 2.63 0.23 -1.59 1.01 -0.56 -1.30 120.40 119.29 2hxr s VAL 192 Ca 0.27 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.46 2hxr s VAL 192 Cb -0.10 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 2hxr s VAL 192 CO 0.19 0.42 -0.05 -0.76 0.00 0.00 0.00 175.10 174.90 2hxr s LEU 193 N 1.35 2.37 0.61 3.92 1.43 -0.41 -4.33 118.68 123.61 2hxr s LEU 193 Ca 0.04 -1.16 -0.17 0.00 -1.03 0.00 0.00 54.13 51.81 2hxr s LEU 193 Cb -0.14 -0.44 -0.02 0.00 0.03 0.00 0.00 46.19 45.62 2hxr s LEU 193 CO -0.08 -0.40 1.12 -0.76 0.23 0.00 0.00 176.35 176.47 2hxr s LEU 194 N -3.33 3.54 0.85 1.79 1.43 -1.26 -1.67 118.68 120.04 2hxr s LEU 194 Ca 0.26 2.09 -0.12 0.00 -1.03 0.00 0.00 54.13 55.34 2hxr s LEU 194 Cb 0.04 -4.57 0.10 0.00 0.03 0.00 0.00 46.19 41.79 2hxr s LEU 194 CO 0.08 -1.48 1.13 -0.94 0.23 0.00 0.00 176.35 175.37 2hxr s SER 195 N -2.21 4.09 0.45 2.29 1.04 -0.84 -4.76 113.70 113.76 2hxr s SER 195 Ca 0.70 1.06 0.20 0.00 0.48 0.00 0.00 55.95 58.39 2hxr s SER 195 Cb -0.22 -1.69 1.11 0.00 0.10 0.00 0.00 66.02 65.31 2hxr s SER 195 CO 0.35 -2.19 1.57 0.00 0.98 0.00 0.00 173.24 173.95 2hxr h ALA 196 N -1.25 1.22 -0.00 5.32 0.00 -1.94 -1.75 119.26 120.86 2hxr h ALA 196 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2hxr h ALA 196 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2hxr h ALA 196 CO 0.62 -0.22 -0.06 -0.85 0.00 0.00 0.00 179.25 178.74 2hxr n GLU 197 N -2.38 0.49 -3.41 0.00 0.00 -1.26 -4.66 120.64 109.43 2hxr n GLU 197 Ca -0.01 -0.09 -0.38 0.00 0.00 0.00 0.00 57.16 56.68 2hxr n GLU 197 Cb 0.30 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.19 2hxr n GLU 197 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2hxr s PHE 198 N -2.57 3.63 0.36 -1.84 0.40 -0.66 -4.96 117.98 112.35 2hxr s PHE 198 Ca 0.27 0.95 0.04 0.00 -0.60 0.00 0.00 56.93 57.59 2hxr s PHE 198 Cb 0.20 -2.41 0.69 0.00 0.51 0.00 0.00 43.02 42.01 2hxr s PHE 198 CO 0.48 0.42 2.02 0.00 0.70 0.00 0.00 175.22 178.84 2hxr h ALA 199 N 5.62 1.60 -0.90 5.36 0.00 -1.89 -1.24 119.26 127.80 2hxr h ALA 199 Ca -0.47 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2hxr h ALA 199 Cb 1.20 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2hxr h ALA 199 CO 0.68 0.37 0.49 1.15 0.00 0.00 0.00 179.25 181.94 2hxr h THR 200 N 0.78 1.26 -0.23 0.00 2.02 -1.94 -0.54 112.91 114.28 2hxr h THR 200 Ca 0.22 -0.65 -0.14 0.00 0.77 0.00 0.00 66.41 66.62 2hxr h THR 200 Cb -0.06 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.38 2hxr h THR 200 CO -0.05 0.29 -0.43 -0.09 0.37 0.00 0.00 175.52 175.61 2hxr h ARG 201 N 1.26 0.55 -0.29 6.66 9.65 -1.53 -1.08 114.38 129.61 2hxr h ARG 201 Ca 0.32 -0.29 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 2hxr h ARG 201 Cb 0.03 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 2hxr h ARG 201 CO -0.05 0.88 0.16 0.93 2.80 0.00 0.00 179.97 184.69 2hxr h GLU 202 N 0.45 0.40 -0.50 0.20 5.08 -0.65 -0.64 114.58 118.92 2hxr h GLU 202 Ca 0.03 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2hxr h GLU 202 Cb 0.94 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 2hxr h GLU 202 CO 0.08 0.35 0.15 1.96 -1.00 0.00 0.00 179.01 180.55 2hxr h GLN 203 N 0.35 0.78 -0.01 2.33 1.08 -1.03 -1.54 115.11 117.07 2hxr h GLN 203 Ca 0.10 -0.17 0.02 0.00 -1.45 0.00 0.00 58.65 57.16 2hxr h GLN 203 Cb 0.06 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.35 2hxr h GLN 203 CO -0.02 0.73 -0.14 0.82 -0.95 0.00 0.00 178.83 179.27 2hxr h ILE 204 N 0.67 0.65 -0.05 2.54 2.04 -0.92 -0.19 117.51 122.26 2hxr h ILE 204 Ca 0.16 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.04 2hxr h ILE 204 Cb 0.28 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2hxr h ILE 204 CO -0.00 0.00 -0.08 0.44 0.00 0.00 0.00 178.15 178.51 2hxr h ASP 205 N -0.23 -0.23 -0.01 1.72 3.32 -0.98 -0.59 116.42 119.42 2hxr h ASP 205 Ca 0.05 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.18 2hxr h ASP 205 Cb 0.30 0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 2hxr h ASP 205 CO -0.15 -0.11 -0.24 -0.74 -1.72 0.00 0.00 179.24 176.29 2hxr h HIS 206 N -0.11 -0.63 0.00 4.55 2.76 -0.92 -0.22 115.15 120.58 2hxr h HIS 206 Ca 0.05 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2hxr h HIS 206 Cb 0.18 0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.42 2hxr h HIS 206 CO -0.17 -0.33 0.00 1.88 -1.30 0.00 0.00 177.93 178.02 2hxr h TYR 207 N -0.37 0.00 0.00 5.26 -1.99 -0.94 -0.69 116.97 118.24 2hxr h TYR 207 Ca 0.06 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.65 2hxr h TYR 207 Cb 0.45 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.19 2hxr h TYR 207 CO -0.28 0.00 -0.55 0.00 -0.00 0.00 0.00 178.16 177.34 2hxr h GLU 209 N -0.18 0.36 -0.85 0.00 4.57 -0.83 0.42 114.58 118.06 2hxr h GLU 209 Ca -0.07 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.11 2hxr h GLU 209 Cb 1.27 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.73 2hxr h GLU 209 CO 0.11 0.24 0.56 -0.22 -1.18 0.00 0.00 179.01 178.52 2hxr h LYS 210 N 0.37 1.09 -0.11 1.92 3.64 -1.13 -1.53 116.57 120.81 2hxr h LYS 210 Ca 0.13 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2hxr h LYS 210 Cb 0.02 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.59 2hxr h LYS 210 CO -0.07 0.72 0.00 0.00 -2.27 0.00 0.00 179.45 177.83 2hxr n ALA 211 N -2.41 2.55 -2.58 5.00 0.00 -0.69 -4.91 120.51 117.48 2hxr n ALA 211 Ca 0.10 -0.41 -0.11 0.00 0.00 0.00 0.00 53.44 53.02 2hxr n ALA 211 Cb 0.06 -1.16 0.01 0.00 0.00 0.00 0.00 19.45 18.36 2hxr n ALA 211 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hxr n GLY 212 N 1.05 0.04 3.34 0.00 0.00 -0.49 -5.03 105.19 104.10 2hxr n GLY 212 Ca 0.16 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 2hxr n GLY 212 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hxr s LEU 213 N -3.59 2.66 -0.44 0.99 1.43 0.13 -5.01 118.68 114.85 2hxr s LEU 213 Ca 0.13 -0.37 0.09 0.00 -1.03 0.00 0.00 54.13 52.95 2hxr s LEU 213 Cb -0.06 -1.60 0.30 0.00 0.03 0.00 0.00 46.19 44.86 2hxr s LEU 213 CO 0.16 0.13 0.69 1.41 0.23 0.00 0.00 176.35 178.98 2hxr n HIS 214 N 3.75 1.01 -1.18 0.29 8.25 -1.26 -3.97 115.22 122.12 2hxr n HIS 214 Ca -0.18 -3.80 -0.33 0.00 -0.26 0.00 0.00 57.72 53.14 2hxr n HIS 214 Cb 0.52 -0.42 0.12 0.00 1.12 0.00 0.00 29.99 31.33 2hxr n HIS 214 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2hxr s PRO 215 N -2.16 1.75 -0.09 -0.41 0.04 -1.26 -4.95 135.00 127.92 2hxr s PRO 215 Ca 0.40 1.71 -0.28 0.00 0.04 0.00 0.00 61.00 62.86 2hxr s PRO 215 Cb 0.25 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.98 2hxr s PRO 215 CO -0.09 -2.12 0.92 1.14 0.04 0.00 0.00 177.00 176.89 2hxr s GLN 216 N -4.16 4.43 -0.45 4.56 -2.07 -1.23 -4.96 119.66 115.78 2hxr s GLN 216 Ca 0.72 1.24 -0.13 0.00 -1.82 0.00 0.00 55.36 55.38 2hxr s GLN 216 Cb -0.28 -3.52 0.07 0.00 -1.09 0.00 0.00 33.01 28.20 2hxr s GLN 216 CO 0.50 -0.20 0.33 0.08 -1.32 0.00 0.00 175.29 174.69 2hxr s VAL 217 N 1.62 4.81 -0.22 3.63 1.01 -1.26 -0.72 120.40 129.27 2hxr s VAL 217 Ca 0.45 -1.19 0.21 0.00 0.00 0.00 0.00 61.98 61.46 2hxr s VAL 217 Cb -0.18 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 2hxr s VAL 217 CO 0.19 -0.54 1.03 -0.37 0.00 0.00 0.00 175.10 175.41 2hxr h VAL 218 N 5.89 0.12 -3.50 2.92 -1.51 -1.55 -3.47 116.25 115.15 2hxr h VAL 218 Ca -0.26 -1.23 -0.22 0.00 -1.23 0.00 0.00 66.70 63.76 2hxr h VAL 218 Cb 1.10 1.65 -0.28 0.00 -2.13 0.00 0.00 31.29 31.63 2hxr h VAL 218 CO 0.82 0.07 -0.63 -0.63 -1.23 0.00 0.00 177.57 175.97 2hxr s ILE 219 N -3.26 -0.01 0.01 7.19 1.01 -1.08 -5.04 121.20 120.01 2hxr s ILE 219 Ca -0.01 0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.73 2hxr s ILE 219 Cb 0.09 -0.13 -0.02 0.00 0.01 0.00 0.00 42.46 42.41 2hxr s ILE 219 CO 0.79 0.02 -0.16 -1.61 0.00 0.00 0.00 174.94 173.98 2hxr s GLU 220 N 0.27 1.18 0.00 2.79 2.02 -1.26 -1.29 118.70 122.41 2hxr s GLU 220 Ca -0.02 -0.64 -0.06 0.00 0.02 0.00 0.00 54.97 54.27 2hxr s GLU 220 Cb -0.03 -1.17 -0.00 0.00 0.10 0.00 0.00 34.13 33.03 2hxr s GLU 220 CO -0.01 0.31 0.11 0.00 0.02 0.00 0.00 175.26 175.70 2hxr s ALA 221 N -0.52 -0.26 -0.48 5.21 0.00 -0.67 -4.94 121.76 120.10 2hxr s ALA 221 Ca 0.05 -0.16 0.02 0.00 0.00 0.00 0.00 51.96 51.86 2hxr s ALA 221 Cb -0.07 0.09 0.54 0.00 0.00 0.00 0.00 23.12 23.69 2hxr s ALA 221 CO 0.00 -0.19 1.91 0.27 0.00 0.00 0.00 175.76 177.75 2hxr n ASN 222 N 1.59 4.98 -3.71 0.00 6.94 -1.26 -1.99 115.26 121.81 2hxr n ASN 222 Ca -0.22 -3.54 -0.12 0.00 -0.02 0.00 0.00 54.58 50.68 2hxr n ASN 222 Cb 0.56 -0.87 -0.12 0.00 -2.36 0.00 0.00 39.78 36.98 2hxr n ASN 222 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2hxr s SER 223 N -1.24 -0.30 0.16 0.53 0.15 -1.26 -4.98 113.70 106.75 2hxr s SER 223 Ca 0.55 0.70 -0.11 0.00 0.70 0.00 0.00 55.95 57.78 2hxr s SER 223 Cb 0.45 0.62 0.03 0.00 -1.71 0.00 0.00 66.02 65.41 2hxr s SER 223 CO 0.06 -0.19 1.61 0.40 1.20 0.00 0.00 173.24 176.33 2hxr h ILE 224 N 5.80 1.26 -0.98 6.45 2.04 -1.95 -1.97 117.51 128.17 2hxr h ILE 224 Ca -0.35 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.42 2hxr h ILE 224 Cb 1.16 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 38.11 2hxr h ILE 224 CO 0.31 0.39 0.62 0.77 0.00 0.00 0.00 178.15 180.24 2hxr h SER 225 N 0.80 1.14 -0.73 1.72 4.64 -1.99 -0.51 113.55 118.62 2hxr h SER 225 Ca 0.15 -0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.36 2hxr h SER 225 Cb 0.52 -0.29 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 2hxr h SER 225 CO 0.03 0.84 0.19 0.00 -0.87 0.00 0.00 176.83 177.02 2hxr h ALA 226 N 1.36 0.96 -0.11 5.18 0.00 -1.91 -1.55 119.26 123.19 2hxr h ALA 226 Ca 0.35 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2hxr h ALA 226 Cb -0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.39 2hxr h ALA 226 CO -0.07 0.67 0.05 0.28 0.00 0.00 0.00 179.25 180.18 2hxr h VAL 227 N 1.10 1.12 -0.98 0.00 2.07 -0.61 -1.74 116.25 117.21 2hxr h VAL 227 Ca 0.23 -0.36 0.05 0.00 0.82 0.00 0.00 66.70 67.44 2hxr h VAL 227 Cb 0.36 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 2hxr h VAL 227 CO -0.00 0.11 0.64 -0.07 0.02 0.00 0.00 177.57 178.27 2hxr h LEU 228 N 0.04 1.05 -0.55 2.57 3.38 -0.93 -0.75 115.31 120.12 2hxr h LEU 228 Ca 0.04 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2hxr h LEU 228 Cb 0.13 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2hxr h LEU 228 CO -0.00 0.70 0.19 -0.08 0.09 0.00 0.00 178.44 179.34 2hxr h GLU 229 N 1.20 0.84 -0.52 1.13 4.57 -1.07 -1.43 114.58 119.30 2hxr h GLU 229 Ca 0.40 -0.17 -0.04 0.00 -1.18 0.00 0.00 59.36 58.37 2hxr h GLU 229 Cb 0.07 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 2hxr h GLU 229 CO -0.14 0.75 0.18 -0.07 -1.18 0.00 0.00 179.01 178.55 2hxr h LEU 230 N 0.76 0.75 -0.77 1.64 4.07 -0.64 -2.49 115.31 118.63 2hxr h LEU 230 Ca 0.18 -0.20 -0.12 0.00 0.08 0.00 0.00 57.88 57.82 2hxr h LEU 230 Cb 0.25 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 2hxr h LEU 230 CO -0.01 0.75 -0.37 0.16 -1.08 0.00 0.00 178.44 177.89 2hxr h ILE 231 N 0.72 1.29 0.00 1.22 3.07 -0.92 -2.16 117.51 120.73 2hxr h ILE 231 Ca 0.17 -1.49 -0.08 0.00 1.55 0.00 0.00 64.86 65.01 2hxr h ILE 231 Cb 0.26 1.52 -0.01 0.00 -0.27 0.00 0.00 36.82 38.32 2hxr h ILE 231 CO -0.01 0.47 -0.39 0.08 -1.05 0.00 0.00 178.15 177.25 2hxr h ARG 232 N 0.42 0.00 -0.02 0.16 0.11 -1.11 -3.12 114.38 110.81 2hxr h ARG 232 Ca 0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.12 2hxr h ARG 232 Cb 0.84 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.92 2hxr h ARG 232 CO 0.07 0.39 -0.05 0.54 0.10 0.00 0.00 179.97 181.01 2hxr n ARG 233 N -3.82 1.91 -3.18 0.08 1.74 -0.95 -4.95 116.66 107.49 2hxr n ARG 233 Ca -0.01 -1.42 -0.11 0.00 -0.77 0.00 0.00 57.85 55.54 2hxr n ARG 233 Cb 0.45 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 30.38 2hxr n ARG 233 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2hxr n THR 234 N 0.69 0.00 -1.04 0.55 -2.24 -0.83 -5.04 114.28 106.38 2hxr n THR 234 Ca 0.15 -1.24 0.03 0.00 -2.27 0.00 0.00 64.05 60.73 2hxr n THR 234 Cb 0.48 0.54 0.30 0.00 -2.10 0.00 0.00 70.33 69.56 2hxr n THR 234 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2hxr n SER 235 N -2.09 4.46 -4.85 3.42 7.64 -1.26 -4.78 113.62 116.15 2hxr n SER 235 Ca 0.01 -3.13 -0.26 0.00 1.01 0.00 0.00 58.87 56.49 2hxr n SER 235 Cb 0.31 -0.64 0.08 0.00 -1.01 0.00 0.00 64.21 62.95 2hxr n SER 235 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2hxr s LEU 236 N -2.91 2.77 0.24 -3.43 1.43 -1.26 -4.92 118.68 110.60 2hxr s LEU 236 Ca 0.49 0.44 0.02 0.00 -1.03 0.00 0.00 54.13 54.05 2hxr s LEU 236 Cb 0.39 -3.01 -0.05 0.00 0.03 0.00 0.00 46.19 43.55 2hxr s LEU 236 CO 0.11 -1.74 0.05 -0.94 0.23 0.00 0.00 176.35 174.06 2hxr s SER 237 N -4.56 1.39 0.20 2.29 1.04 -1.03 -4.60 113.70 108.43 2hxr s SER 237 Ca 0.62 -1.30 -0.02 0.00 0.48 0.00 0.00 55.95 55.73 2hxr s SER 237 Cb -0.10 0.11 -0.04 0.00 0.10 0.00 0.00 66.02 66.09 2hxr s SER 237 CO 0.46 -0.64 0.16 0.28 0.98 0.00 0.00 173.24 174.48 2hxr s THR 238 N -3.64 0.00 -0.28 2.02 -1.32 -0.83 -1.49 115.64 110.10 2hxr s THR 238 Ca 0.33 -1.95 0.00 0.00 -1.21 0.00 0.00 61.69 58.86 2hxr s THR 238 Cb 0.07 -2.47 0.05 0.00 -1.51 0.00 0.00 72.50 68.64 2hxr s THR 238 CO 0.10 -0.00 -0.05 -0.76 -2.21 0.00 0.00 174.62 171.70 2hxr s LEU 239 N -3.15 3.65 0.18 9.08 1.43 -1.26 -0.69 118.68 127.91 2hxr s LEU 239 Ca 0.38 -1.29 -0.09 0.00 -1.03 0.00 0.00 54.13 52.09 2hxr s LEU 239 Cb 0.06 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.63 2hxr s LEU 239 CO 0.12 -0.22 0.30 -0.76 0.23 0.00 0.00 176.35 176.02 2hxr s LEU 240 N 1.19 0.87 0.21 1.79 1.02 -0.74 -4.91 118.68 118.11 2hxr s LEU 240 Ca -0.06 -0.90 -0.32 0.00 0.02 0.00 0.00 54.13 52.86 2hxr s LEU 240 Cb -0.20 1.24 -0.13 0.00 0.02 0.00 0.00 46.19 47.12 2hxr s LEU 240 CO -0.03 -0.93 1.58 -2.65 0.02 0.00 0.00 176.35 174.34 2hxr n PRO 241 N -0.24 2.35 -0.02 1.29 -0.02 -1.26 -0.25 135.00 136.85 2hxr n PRO 241 Ca -0.06 0.84 0.18 0.00 -2.02 0.00 0.00 63.50 62.45 2hxr n PRO 241 Cb 0.63 -2.61 0.64 0.00 -0.02 0.00 0.00 33.50 32.14 2hxr n PRO 241 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hxr h ALA 242 N 5.62 2.38 0.00 3.55 0.00 -1.71 -1.76 119.26 127.33 2hxr h ALA 242 Ca -0.45 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2hxr h ALA 242 Cb 1.24 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2hxr h ALA 242 CO 0.86 -0.53 -0.00 0.00 0.00 0.00 0.00 179.25 179.58 2hxr h ALA 243 N 1.73 1.48 -0.34 0.00 0.00 -1.89 -2.39 119.26 117.85 2hxr h ALA 243 Ca 0.26 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 2hxr h ALA 243 Cb 0.90 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2hxr h ALA 243 CO -0.03 0.00 -0.25 0.82 0.00 0.00 0.00 179.25 179.80 2hxr h ILE 244 N 0.00 1.27 -0.55 0.00 2.04 -1.61 -3.12 117.51 115.55 2hxr h ILE 244 Ca -0.00 -1.35 -0.03 0.00 1.00 0.00 0.00 64.86 64.48 2hxr h ILE 244 Cb 0.00 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 2hxr h ILE 244 CO 0.00 0.44 0.20 0.00 0.00 0.00 0.00 178.15 178.79 2hxr h ALA 245 N 1.12 1.32 -0.79 1.87 0.00 -1.60 -2.32 119.26 118.86 2hxr h ALA 245 Ca 0.08 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.91 2hxr h ALA 245 Cb 0.74 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 2hxr h ALA 245 CO 0.06 0.50 0.52 1.15 0.00 0.00 0.00 179.25 181.48 2hxr h THR 246 N 0.79 0.99 0.00 0.00 2.02 -1.63 -1.73 112.91 113.36 2hxr h THR 246 Ca 0.19 -0.27 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 2hxr h THR 246 Cb 0.19 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 2hxr h THR 246 CO -0.01 0.15 -0.24 1.56 0.37 0.00 0.00 175.52 177.34 2hxr h GLN 247 N 0.80 0.00 -5.22 6.66 1.08 -1.50 -3.43 115.11 113.50 2hxr h GLN 247 Ca 0.35 0.00 -0.67 0.00 -1.45 0.00 0.00 58.65 56.89 2hxr h GLN 247 Cb 0.34 0.00 -0.30 0.00 -0.05 0.00 0.00 27.48 27.46 2hxr h GLN 247 CO -0.13 0.24 -0.81 -1.01 -0.95 0.00 0.00 178.83 176.17 2hxr s HIS 248 N -4.05 2.75 0.09 2.96 3.76 -0.65 -5.04 115.29 115.11 2hxr s HIS 248 Ca -0.02 -1.01 -0.33 0.00 -0.15 0.00 0.00 55.06 53.55 2hxr s HIS 248 Cb 0.13 -1.86 -0.15 0.00 1.11 0.00 0.00 32.58 31.81 2hxr s HIS 248 CO 0.65 -0.44 1.51 0.38 -0.85 0.00 0.00 174.74 175.99 2hxr h ASP 249 N 7.16 -1.41 0.00 1.40 2.03 -1.83 -2.70 116.42 121.07 2hxr h ASP 249 Ca -0.30 0.14 0.00 0.00 -0.73 0.00 0.00 57.03 56.13 2hxr h ASP 249 Cb 1.20 0.50 0.00 0.00 -0.83 0.00 0.00 39.33 40.20 2hxr h ASP 249 CO 0.56 -0.56 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 2hxr n GLY 250 N -1.48 0.50 3.15 7.15 0.00 -1.26 -4.75 105.19 108.51 2hxr n GLY 250 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 2hxr n GLY 250 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hxr s LEU 251 N -0.28 2.12 0.02 0.99 1.43 -1.02 -2.48 118.68 119.46 2hxr s LEU 251 Ca 0.00 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 52.73 2hxr s LEU 251 Cb 0.00 -0.72 -0.01 0.00 0.03 0.00 0.00 46.19 45.49 2hxr s LEU 251 CO 0.00 0.10 -0.11 -0.75 0.23 0.00 0.00 176.35 175.82 2hxr s LYS 252 N -0.89 0.83 -0.26 1.70 2.20 0.10 -4.70 119.74 118.71 2hxr s LYS 252 Ca 0.04 -0.55 -0.10 0.00 -0.36 0.00 0.00 55.97 55.00 2hxr s LYS 252 Cb -0.07 -0.80 -0.04 0.00 -1.51 0.00 0.00 37.83 35.41 2hxr s LYS 252 CO 0.01 0.21 0.15 0.00 -0.36 0.00 0.00 175.35 175.35 2hxr s ALA 253 N -0.59 3.43 -0.34 3.13 0.00 -1.26 -0.87 121.76 125.26 2hxr s ALA 253 Ca 0.02 -1.07 -0.13 0.00 0.00 0.00 0.00 51.96 50.78 2hxr s ALA 253 Cb -0.06 -2.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.71 2hxr s ALA 253 CO 0.00 -0.47 0.26 0.42 0.00 0.00 0.00 175.76 175.97 2hxr s ILE 254 N 1.60 5.27 0.51 0.00 -1.09 0.11 -4.92 121.20 122.67 2hxr s ILE 254 Ca 0.07 -0.16 -0.23 0.00 -2.23 0.00 0.00 60.65 58.10 2hxr s ILE 254 Cb -0.15 -3.73 -0.06 0.00 -1.58 0.00 0.00 42.46 36.94 2hxr s ILE 254 CO 0.08 -0.01 1.34 -0.94 -1.23 0.00 0.00 174.94 174.17 2hxr s SER 255 N 1.73 5.56 -0.23 3.58 1.04 -0.57 -1.61 113.70 123.19 2hxr s SER 255 Ca 0.07 2.71 -0.13 0.00 0.48 0.00 0.00 55.95 59.08 2hxr s SER 255 Cb -0.17 -2.63 -0.04 0.00 0.10 0.00 0.00 66.02 63.27 2hxr s SER 255 CO 0.11 -1.37 0.27 -0.76 0.98 0.00 0.00 173.24 172.47 2hxr s LEU 256 N -3.26 4.12 0.00 2.42 2.01 -1.26 -0.61 118.68 122.09 2hxr s LEU 256 Ca 0.68 0.27 0.00 0.00 0.01 0.00 0.00 54.13 55.09 2hxr s LEU 256 Cb -0.39 -2.29 0.00 0.00 0.01 0.00 0.00 46.19 43.52 2hxr s LEU 256 CO 0.47 -0.02 0.00 0.00 1.01 0.00 0.00 176.35 177.81 2hxr n ALA 257 N 4.52 0.00 -1.95 4.21 0.00 0.15 -3.00 120.51 124.45 2hxr n ALA 257 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 2hxr n ALA 257 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 2hxr n ALA 257 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2hxr s PRO 258 N 0.00 4.18 0.60 0.00 0.02 -1.26 -4.87 135.00 133.68 2hxr s PRO 258 Ca 0.00 2.28 -0.18 0.00 0.02 0.00 0.00 61.00 63.11 2hxr s PRO 258 Cb 0.00 -3.94 -0.05 0.00 0.02 0.00 0.00 34.50 30.53 2hxr s PRO 258 CO 0.00 -0.84 0.97 -0.35 -0.33 0.00 0.00 177.00 176.46 2hxr n PRO 259 N 6.89 0.90 -0.10 5.54 -0.04 -1.16 -4.71 135.00 142.32 2hxr n PRO 259 Ca 0.17 0.35 -0.24 0.00 -0.04 0.00 0.00 63.50 63.74 2hxr n PRO 259 Cb 0.42 -2.18 -0.11 0.00 -0.04 0.00 0.00 33.50 31.59 2hxr n PRO 259 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2hxr n LEU 260 N -0.80 2.10 -3.70 1.53 -0.00 -1.26 -4.99 117.00 109.88 2hxr n LEU 260 Ca 0.14 0.32 -0.11 0.00 -0.00 0.00 0.00 56.01 56.35 2hxr n LEU 260 Cb 0.47 -0.94 -0.12 0.00 -0.00 0.00 0.00 43.42 42.84 2hxr n LEU 260 CO 0.49 0.51 -0.04 -0.22 -0.00 0.00 0.00 177.39 178.13 2hxr s LEU 261 N -7.52 0.01 -0.06 -1.96 2.96 -1.26 -4.88 118.68 105.97 2hxr s LEU 261 Ca -0.32 0.72 0.02 0.00 -0.22 0.00 0.00 54.13 54.33 2hxr s LEU 261 Cb 0.09 1.02 0.01 0.00 0.50 0.00 0.00 46.19 47.82 2hxr s LEU 261 CO 0.58 -0.19 -0.11 -1.61 -1.32 0.00 0.00 176.35 173.70 2hxr s GLU 262 N 1.62 1.46 0.08 1.98 2.02 -1.26 -1.06 118.70 123.54 2hxr s GLU 262 Ca -0.07 -0.35 0.03 0.00 0.02 0.00 0.00 54.97 54.60 2hxr s GLU 262 Cb -0.10 -1.25 -0.03 0.00 0.10 0.00 0.00 34.13 32.85 2hxr s GLU 262 CO -0.11 0.03 -0.10 1.03 0.02 0.00 0.00 175.26 176.14 2hxr s ARG 263 N 0.62 0.74 -0.28 1.61 0.52 0.33 -4.97 118.95 117.52 2hxr s ARG 263 Ca -0.12 -1.01 -0.11 0.00 -0.52 0.00 0.00 55.73 53.97 2hxr s ARG 263 Cb -0.15 -0.47 -0.04 0.00 0.52 0.00 0.00 34.95 34.81 2hxr s ARG 263 CO 0.03 0.08 0.18 0.99 0.02 0.00 0.00 175.30 176.59 2hxr s THR 264 N -2.03 5.13 0.24 0.02 2.01 -1.26 -0.19 115.64 119.56 2hxr s THR 264 Ca -0.00 0.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.76 2hxr s THR 264 Cb -0.06 -3.46 -0.09 0.00 0.01 0.00 0.00 72.50 68.90 2hxr s THR 264 CO 0.00 0.23 0.97 0.00 -0.69 0.00 0.00 174.62 175.14 2hxr s ALA 265 N 1.73 3.35 0.08 7.40 0.00 0.88 -1.31 121.76 133.88 2hxr s ALA 265 Ca 0.07 0.67 0.04 0.00 0.00 0.00 0.00 51.96 52.74 2hxr s ALA 265 Cb -0.16 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 2hxr s ALA 265 CO 0.10 0.13 -0.12 0.14 0.00 0.00 0.00 175.76 176.01 2hxr s VAL 266 N -1.12 0.95 -0.13 0.00 -7.23 0.24 0.00 120.40 113.11 2hxr s VAL 266 Ca 0.42 -1.38 -0.13 0.00 -1.81 0.00 0.00 61.98 59.07 2hxr s VAL 266 Cb -0.27 -1.09 -0.05 0.00 0.56 0.00 0.00 36.38 35.54 2hxr s VAL 266 CO 0.34 -0.37 0.30 -0.22 -0.31 0.00 0.00 175.10 174.84 2hxr s LEU 267 N -1.96 4.29 0.00 1.32 2.96 -0.23 -1.17 118.68 123.90 2hxr s LEU 267 Ca -0.01 0.58 0.07 0.00 -0.22 0.00 0.00 54.13 54.55 2hxr s LEU 267 Cb -0.08 -2.39 -0.03 0.00 0.50 0.00 0.00 46.19 44.20 2hxr s LEU 267 CO 0.01 0.16 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.22 2hxr s LEU 268 N 0.11 2.37 -0.17 -0.68 1.43 0.21 -1.48 118.68 120.48 2hxr s LEU 268 Ca 0.18 -0.42 -0.20 0.00 -1.03 0.00 0.00 54.13 52.66 2hxr s LEU 268 Cb -0.13 -1.42 0.05 0.00 0.03 0.00 0.00 46.19 44.71 2hxr s LEU 268 CO 0.05 0.30 0.55 0.00 0.23 0.00 0.00 176.35 177.48 2hxr s ARG 269 N -0.96 0.70 -0.06 1.70 1.70 -1.09 -1.27 118.95 119.67 2hxr s ARG 269 Ca 0.12 0.60 -0.30 0.00 -0.47 0.00 0.00 55.73 55.68 2hxr s ARG 269 Cb -0.10 0.34 -0.05 0.00 -0.57 0.00 0.00 34.95 34.57 2hxr s ARG 269 CO 0.01 -0.12 1.54 0.50 -1.08 0.00 0.00 175.30 176.15 2hxr s ARG 270 N -0.07 4.21 0.66 3.89 3.52 -1.26 -1.01 118.95 128.88 2hxr s ARG 270 Ca -0.03 2.07 -0.17 0.00 -0.13 0.00 0.00 55.73 57.46 2hxr s ARG 270 Cb -0.03 -3.85 -0.00 0.00 -1.56 0.00 0.00 34.95 29.50 2hxr s ARG 270 CO 0.02 -0.77 1.24 0.21 -0.81 0.00 0.00 175.30 175.19 2hxr s LYS 271 N 3.58 2.56 -0.45 5.12 2.20 -0.27 -3.17 119.74 129.31 2hxr s LYS 271 Ca 0.68 1.89 0.00 0.00 -0.36 0.00 0.00 55.97 58.18 2hxr s LYS 271 Cb -0.31 -1.87 0.00 0.00 -1.51 0.00 0.00 37.83 34.14 2hxr s LYS 271 CO 0.26 -1.54 0.00 0.09 -0.36 0.00 0.00 175.35 173.80 2hxr n ASN 272 N -2.06 -4.76 -3.96 1.43 3.02 -1.26 -4.88 115.26 102.78 2hxr n ASN 272 Ca 0.14 0.11 -0.31 0.00 -0.03 0.00 0.00 54.58 54.49 2hxr n ASN 272 Cb 0.49 -3.21 -0.15 0.00 -0.61 0.00 0.00 39.78 36.30 2hxr n ASN 272 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2hxr s SER 273 N -1.83 4.52 0.38 6.41 0.01 -1.19 -5.10 113.70 116.91 2hxr s SER 273 Ca 0.00 -1.91 -0.24 0.00 1.31 0.00 0.00 55.95 55.11 2hxr s SER 273 Cb 0.00 -1.44 -0.10 0.00 0.21 0.00 0.00 66.02 64.69 2hxr s SER 273 CO 0.00 -0.36 1.00 0.26 0.41 0.00 0.00 173.24 174.56 2hxr s TRP 274 N 1.10 3.39 0.51 2.43 0.23 -1.26 -4.78 118.94 120.56 2hxr s TRP 274 Ca 0.07 1.68 -0.18 0.00 -2.03 0.00 0.00 56.10 55.64 2hxr s TRP 274 Cb -0.19 -3.02 -0.08 0.00 0.03 0.00 0.00 33.47 30.21 2hxr s TRP 274 CO -0.11 -0.30 1.01 1.14 0.96 0.00 0.00 176.95 179.65 2hxr s GLN 275 N -2.49 3.81 0.77 4.98 -2.07 -1.26 -5.09 119.66 118.30 2hxr s GLN 275 Ca 0.56 1.16 -0.12 0.00 -1.82 0.00 0.00 55.36 55.15 2hxr s GLN 275 Cb -0.19 -2.11 0.06 0.00 -1.09 0.00 0.00 33.01 29.68 2hxr s GLN 275 CO 0.24 -0.40 1.14 0.95 -1.32 0.00 0.00 175.29 175.90 2hxr s THR 276 N -2.32 2.56 0.31 3.63 -4.23 -1.26 -4.87 115.64 109.45 2hxr s THR 276 Ca 0.63 0.16 -0.00 0.00 -1.18 0.00 0.00 61.69 61.29 2hxr s THR 276 Cb -0.13 -3.17 0.22 0.00 1.34 0.00 0.00 72.50 70.75 2hxr s THR 276 CO 0.26 -0.23 1.92 0.00 -0.54 0.00 0.00 174.62 176.03 2hxr h ALA 277 N -0.89 1.37 -0.25 3.99 0.00 -1.99 -1.79 119.26 119.70 2hxr h ALA 277 Ca -0.46 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.30 2hxr h ALA 277 Cb 1.30 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2hxr h ALA 277 CO 0.65 0.51 0.00 0.00 0.00 0.00 0.00 179.25 180.41 2hxr h ALA 278 N 1.46 0.34 -0.69 0.00 0.00 -1.99 -1.29 119.26 117.09 2hxr h ALA 278 Ca 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2hxr h ALA 278 Cb 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2hxr h ALA 278 CO -0.03 0.07 0.41 0.00 0.00 0.00 0.00 179.25 179.69 2hxr h ALA 279 N 0.82 0.88 -0.42 0.00 0.00 -1.87 -0.10 119.26 118.57 2hxr h ALA 279 Ca 0.07 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2hxr h ALA 279 Cb 0.41 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2hxr h ALA 279 CO 0.01 0.36 0.00 0.87 0.00 0.00 0.00 179.25 180.50 2hxr h LYS 280 N 0.94 0.74 -0.76 0.00 1.57 -1.27 -1.50 116.57 116.30 2hxr h LYS 280 Ca 0.25 -0.24 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2hxr h LYS 280 Cb -0.01 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 2hxr h LYS 280 CO -0.04 0.82 0.50 0.00 -0.57 0.00 0.00 179.45 180.15 2hxr h ALA 281 N 0.90 0.96 0.02 3.86 0.00 -0.96 -1.69 119.26 122.35 2hxr h ALA 281 Ca 0.12 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2hxr h ALA 281 Cb 0.48 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2hxr h ALA 281 CO 0.02 0.39 -0.05 0.35 0.00 0.00 0.00 179.25 179.96 2hxr h PHE 282 N 1.03 -0.13 -0.59 0.00 3.57 -0.73 -2.80 116.94 117.29 2hxr h PHE 282 Ca 0.28 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.84 2hxr h PHE 282 Cb -0.11 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.63 2hxr h PHE 282 CO -0.02 -0.08 0.29 1.25 -2.23 0.00 0.00 178.31 177.52 2hxr h LEU 283 N -0.10 0.39 -1.26 0.59 6.46 -1.02 0.94 115.31 121.32 2hxr h LEU 283 Ca 0.02 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 2hxr h LEU 283 Cb 0.12 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.02 2hxr h LEU 283 CO -0.04 0.25 0.00 1.57 -0.62 0.00 0.00 178.44 179.60 2hxr n HIS 284 N -4.88 0.00 0.00 1.25 -0.00 -0.66 -1.85 115.22 109.08 2hxr n HIS 284 Ca 0.07 -0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.25 2hxr n HIS 284 Cb 0.19 -0.03 0.00 0.00 -0.12 0.00 0.00 29.99 30.03 2hxr n HIS 284 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2hxr n ALA 286 N 0.61 0.00 0.04 1.57 0.00 0.32 -1.32 120.51 121.74 2hxr n ALA 286 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 2hxr n ALA 286 Cb 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.37 2hxr n ALA 286 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2hxr h LEU 287 N 0.00 0.85 -0.42 0.00 3.38 -1.63 -3.10 115.31 114.39 2hxr h LEU 287 Ca 0.00 -0.68 -0.00 0.00 0.09 0.00 0.00 57.88 57.29 2hxr h LEU 287 Cb 0.00 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2hxr h LEU 287 CO 0.00 1.48 0.26 0.44 0.09 0.00 0.00 178.44 180.71 2hxr h ASP 288 N 0.37 0.51 0.01 -0.43 3.45 -1.48 0.26 116.42 119.11 2hxr h ASP 288 Ca -0.12 -0.05 -0.00 0.00 0.43 0.00 0.00 57.03 57.29 2hxr h ASP 288 Cb 1.67 -0.13 -0.00 0.00 -0.56 0.00 0.00 39.33 40.31 2hxr h ASP 288 CO 0.20 0.40 -0.01 0.50 -1.57 0.00 0.00 179.24 178.76 2hxr h LYS 289 N 0.56 0.00 0.00 3.56 3.64 -1.83 -1.50 116.57 121.01 2hxr h LYS 289 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2hxr h LYS 289 Cb -0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2hxr h LYS 289 CO -0.03 0.01 -1.22 0.00 -2.27 0.00 0.00 179.45 175.94