#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfu n ARG 90 N 0.00 0.00 0.00 -0.78 0.00 -1.26 -4.73 116.66 109.89 3hfu n ARG 90 Ca 0.00 0.49 0.00 0.00 -0.00 0.00 0.00 57.85 58.34 3hfu n ARG 90 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 32.46 31.45 3hfu n ARG 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hfu n GLY 91 N -0.98 1.83 0.00 5.14 0.00 -1.26 -4.69 105.19 105.24 3hfu n GLY 91 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 3hfu n GLY 91 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hfu n SER 92 N 0.00 0.00 -3.38 1.61 2.88 -1.26 -4.34 113.62 109.13 3hfu n SER 92 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 3hfu n SER 92 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 3hfu n SER 92 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3hfu s LEU 93 N 0.00 -1.18 -0.26 2.46 2.96 -0.86 -4.84 118.68 116.95 3hfu s LEU 93 Ca 0.00 1.14 -0.13 0.00 -0.22 0.00 0.00 54.13 54.92 3hfu s LEU 93 Cb 0.00 2.15 -0.04 0.00 0.50 0.00 0.00 46.19 48.80 3hfu s LEU 93 CO 0.00 -0.22 0.27 -0.13 -1.32 0.00 0.00 176.35 174.95 3hfu s ARG 94 N 2.85 4.01 -0.02 1.98 0.52 -1.26 -1.33 118.95 125.70 3hfu s ARG 94 Ca 0.07 -0.14 0.06 0.00 -0.52 0.00 0.00 55.73 55.20 3hfu s ARG 94 Cb -0.13 -3.63 -0.01 0.00 0.52 0.00 0.00 34.95 31.70 3hfu s ARG 94 CO -0.19 -0.16 -0.21 0.42 0.02 0.00 0.00 175.30 175.18 3hfu s ILE 95 N 1.72 1.64 -0.01 1.52 1.01 0.18 -1.18 121.20 126.07 3hfu s ILE 95 Ca 0.11 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.90 3hfu s ILE 95 Cb -0.15 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 40.95 3hfu s ILE 95 CO 0.09 0.46 -0.06 0.00 0.00 0.00 0.00 174.94 175.43 3hfu s ALA 96 N -0.43 0.60 0.06 9.38 0.00 -0.60 -1.33 121.76 129.44 3hfu s ALA 96 Ca 0.07 -0.23 0.01 0.00 0.00 0.00 0.00 51.96 51.80 3hfu s ALA 96 Cb -0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 3hfu s ALA 96 CO -0.00 0.11 -0.05 0.14 0.00 0.00 0.00 175.76 175.95 3hfu s VAL 97 N 0.10 0.45 0.55 0.00 -7.23 -0.56 -0.88 120.40 112.82 3hfu s VAL 97 Ca -0.01 -1.59 -0.17 0.00 -1.81 0.00 0.00 61.98 58.40 3hfu s VAL 97 Cb -0.06 -1.23 -0.06 0.00 0.56 0.00 0.00 36.38 35.60 3hfu s VAL 97 CO -0.00 -0.76 1.03 0.42 -0.31 0.00 0.00 175.10 175.48 3hfu s THR 98 N -2.96 4.02 0.16 5.32 -4.23 -0.85 -4.10 115.64 113.00 3hfu s THR 98 Ca 0.02 1.01 -0.12 0.00 -1.18 0.00 0.00 61.69 61.43 3hfu s THR 98 Cb 0.01 -3.49 0.17 0.00 1.34 0.00 0.00 72.50 70.53 3hfu s THR 98 CO -0.05 -0.51 1.08 -2.65 -0.54 0.00 0.00 174.62 171.96 3hfu n PRO 99 N -1.69 -0.16 -0.21 3.99 -0.02 -1.26 -2.34 135.00 133.31 3hfu n PRO 99 Ca 0.08 1.08 0.02 0.00 -2.02 0.00 0.00 63.50 62.66 3hfu n PRO 99 Cb 0.53 -1.60 0.28 0.00 -0.02 0.00 0.00 33.50 32.69 3hfu n PRO 99 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3hfu h THR 100 N 0.00 1.13 0.00 3.45 1.35 -2.00 -2.52 112.91 114.33 3hfu h THR 100 Ca 0.24 -0.32 -0.02 0.00 -0.55 0.00 0.00 66.41 65.76 3hfu h THR 100 Cb 0.42 0.12 -0.00 0.00 -1.73 0.00 0.00 68.15 66.96 3hfu h THR 100 CO -0.69 0.17 -0.11 -0.26 -0.25 0.00 0.00 175.52 174.37 3hfu h PHE 101 N 0.93 0.00 0.00 4.73 -1.00 -1.84 -1.77 116.94 117.99 3hfu h PHE 101 Ca 0.29 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.06 3hfu h PHE 101 Cb 0.01 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.57 3hfu h PHE 101 CO -0.00 0.11 -0.04 1.15 -1.61 0.00 0.00 178.31 177.92 3hfu h THR 102 N 0.00 0.68 -0.01 -1.55 2.02 -1.57 0.50 112.91 112.98 3hfu h THR 102 Ca -0.00 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.02 3hfu h THR 102 Cb 0.22 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3hfu h THR 102 CO 0.01 0.04 -0.01 -1.20 0.37 0.00 0.00 175.52 174.74 3hfu n SER 103 N -3.99 1.32 0.00 4.18 7.64 -0.67 -4.54 113.62 117.56 3hfu n SER 103 Ca -0.03 -1.42 0.00 0.00 1.01 0.00 0.00 58.87 58.43 3hfu n SER 103 Cb 0.13 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 3hfu n SER 103 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hfu n TYR 104 N 0.01 0.00 -0.03 1.43 0.18 -0.96 -4.79 117.16 113.00 3hfu n TYR 104 Ca 0.19 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.95 3hfu n TYR 104 Cb 0.33 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.28 3hfu n TYR 104 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 3hfu n PHE 105 N -0.32 0.12 0.06 -3.48 7.35 0.12 -4.61 117.46 116.70 3hfu n PHE 105 Ca 0.00 0.05 0.19 0.00 -0.76 0.00 0.00 57.45 56.93 3hfu n PHE 105 Cb 0.00 -0.27 0.71 0.00 0.35 0.00 0.00 39.48 40.26 3hfu n PHE 105 CO 0.00 0.00 0.00 0.97 -0.76 0.00 0.00 176.76 176.97 3hfu h ILE 106 N -0.37 0.70 0.65 -2.13 6.09 -1.72 -2.92 117.51 117.81 3hfu h ILE 106 Ca 0.00 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.46 3hfu h ILE 106 Cb 0.30 0.77 0.01 0.00 0.47 0.00 0.00 36.82 38.37 3hfu h ILE 106 CO 0.00 0.00 -0.31 1.23 -3.07 0.00 0.00 178.15 176.00 3hfu h GLY 107 N 0.00 -0.91 2.00 8.18 0.00 -1.80 -3.13 103.07 107.41 3hfu h GLY 107 Ca 0.20 0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.85 3hfu h GLY 107 CO -0.00 -0.33 -0.10 -0.56 0.00 0.00 0.00 176.54 175.55 3hfu h PRO 108 N -0.89 0.00 -0.47 4.80 0.13 -1.80 -2.34 132.00 131.43 3hfu h PRO 108 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 3hfu h PRO 108 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 3hfu h PRO 108 CO 0.15 0.10 0.00 -0.11 -0.23 0.00 0.00 178.00 177.90 3hfu n LEU 109 N -4.28 0.47 0.00 1.56 7.94 -1.11 -2.32 117.00 119.26 3hfu n LEU 109 Ca -0.03 -0.24 0.00 0.00 -1.11 0.00 0.00 56.01 54.64 3hfu n LEU 109 Cb 0.18 -0.24 0.00 0.00 0.53 0.00 0.00 43.42 43.89 3hfu n LEU 109 CO 0.34 0.12 0.00 0.00 -1.11 0.00 0.00 177.39 176.74 3hfu n ALA 111 N 0.18 0.00 -0.02 1.96 0.00 -0.88 -1.34 120.51 120.41 3hfu n ALA 111 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3hfu n ALA 111 Cb 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.49 3hfu n ALA 111 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3hfu h ASP 112 N 0.00 0.11 -0.56 0.00 3.32 -1.74 -2.11 116.42 115.44 3hfu h ASP 112 Ca 0.00 -0.38 0.09 0.00 0.02 0.00 0.00 57.03 56.76 3hfu h ASP 112 Cb 0.00 -0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.45 3hfu h ASP 112 CO 0.00 0.46 0.19 0.15 -1.72 0.00 0.00 179.24 178.32 3hfu h PHE 113 N -0.25 0.33 -0.20 4.55 3.57 -1.49 -0.56 116.94 122.89 3hfu h PHE 113 Ca 0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3hfu h PHE 113 Cb 0.41 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 3hfu h PHE 113 CO 0.06 0.08 0.13 -0.92 -2.23 0.00 0.00 178.31 175.42 3hfu h TYR 114 N 0.36 0.26 -0.51 0.41 3.20 -1.81 0.34 116.97 119.22 3hfu h TYR 114 Ca 0.28 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.16 3hfu h TYR 114 Cb 0.34 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 3hfu h TYR 114 CO -0.18 0.18 0.33 0.00 -1.64 0.00 0.00 178.16 176.85 3hfu h ALA 115 N 1.06 1.62 0.02 1.82 0.00 -0.83 0.31 119.26 123.25 3hfu h ALA 115 Ca 0.07 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.70 3hfu h ALA 115 Cb -0.01 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 17.59 3hfu h ALA 115 CO -0.01 0.35 -0.97 0.00 0.00 0.00 0.00 179.25 178.61 3hfu h ARG 116 N 0.69 0.62 -2.13 0.00 3.08 -0.57 -3.38 114.38 112.68 3hfu h ARG 116 Ca 0.19 -0.69 -0.55 0.00 0.07 0.00 0.00 59.98 58.99 3hfu h ARG 116 Cb -0.06 0.20 -0.41 0.00 0.08 0.00 0.00 29.97 29.78 3hfu h ARG 116 CO -0.04 1.29 -0.89 0.66 -1.07 0.00 0.00 179.97 179.92 3hfu n TYR 117 N -3.94 2.05 0.29 3.04 4.01 0.12 -4.94 117.16 117.80 3hfu n TYR 117 Ca -0.11 -3.90 0.13 0.00 -0.16 0.00 0.00 57.90 53.85 3hfu n TYR 117 Cb 0.85 -0.46 0.62 0.00 -0.31 0.00 0.00 39.34 40.05 3hfu n TYR 117 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3hfu h PRO 118 N 3.32 0.00 0.00 -0.72 0.13 -0.60 -0.38 132.00 133.75 3hfu h PRO 118 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3hfu h PRO 118 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3hfu h PRO 118 CO 0.66 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.30 3hfu n SER 119 N -2.89 0.00 -4.62 1.44 3.41 -1.26 -4.67 113.62 105.02 3hfu n SER 119 Ca 0.00 0.25 -0.37 0.00 -0.26 0.00 0.00 58.87 58.49 3hfu n SER 119 Cb 0.57 -0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 64.01 3hfu n SER 119 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hfu s ILE 120 N -2.82 5.27 0.23 -1.33 1.01 -0.15 -4.26 121.20 119.14 3hfu s ILE 120 Ca 0.17 0.15 -0.28 0.00 0.00 0.00 0.00 60.65 60.70 3hfu s ILE 120 Cb 0.17 -3.48 -0.09 0.00 0.01 0.00 0.00 42.46 39.07 3hfu s ILE 120 CO 0.43 0.31 0.89 0.42 0.00 0.00 0.00 174.94 176.98 3hfu s THR 121 N 1.37 4.19 0.05 2.92 -4.23 -1.26 -4.82 115.64 113.85 3hfu s THR 121 Ca 0.07 1.92 0.07 0.00 -1.18 0.00 0.00 61.69 62.58 3hfu s THR 121 Cb -0.15 -4.22 -0.03 0.00 1.34 0.00 0.00 72.50 69.44 3hfu s THR 121 CO 0.07 0.46 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.66 3hfu s LEU 122 N -1.30 2.58 -0.15 4.79 1.43 -1.26 -2.03 118.68 122.74 3hfu s LEU 122 Ca 0.41 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 3hfu s LEU 122 Cb -0.24 -1.50 0.03 0.00 0.03 0.00 0.00 46.19 44.51 3hfu s LEU 122 CO 0.29 0.25 -0.10 -1.58 0.23 0.00 0.00 176.35 175.44 3hfu s GLN 123 N -1.46 1.89 -0.07 1.70 2.00 -0.44 -5.00 119.66 118.28 3hfu s GLN 123 Ca 0.15 -0.50 0.05 0.00 -2.00 0.00 0.00 55.36 53.06 3hfu s GLN 123 Cb -0.10 -1.97 -0.00 0.00 0.80 0.00 0.00 33.01 31.73 3hfu s GLN 123 CO 0.05 -0.30 -0.22 -1.17 -0.50 0.00 0.00 175.29 173.15 3hfu s LEU 124 N 1.57 2.00 -0.02 3.68 1.98 -1.26 0.47 118.68 127.10 3hfu s LEU 124 Ca 0.03 -0.48 0.00 0.00 -2.89 0.00 0.00 54.13 50.80 3hfu s LEU 124 Cb -0.14 -1.26 0.02 0.00 0.66 0.00 0.00 46.19 45.48 3hfu s LEU 124 CO -0.09 0.18 0.00 -1.10 -1.89 0.00 0.00 176.35 173.45 3hfu s GLN 125 N 0.14 0.24 -0.00 1.98 -0.21 -0.44 -5.00 119.66 116.37 3hfu s GLN 125 Ca -0.10 0.07 -0.06 0.00 0.02 0.00 0.00 55.36 55.29 3hfu s GLN 125 Cb -0.15 -0.41 -0.05 0.00 1.00 0.00 0.00 33.01 33.40 3hfu s GLN 125 CO 0.05 -0.12 0.24 -1.83 -2.12 0.00 0.00 175.29 171.52 3hfu s GLU 126 N 0.89 3.54 0.41 2.91 -1.05 -1.26 -1.50 118.70 122.64 3hfu s GLU 126 Ca -0.09 -0.13 -0.18 0.00 -0.15 0.00 0.00 54.97 54.43 3hfu s GLU 126 Cb -0.12 -3.09 -0.09 0.00 -0.44 0.00 0.00 34.13 30.39 3hfu s GLU 126 CO -0.02 0.66 0.88 -1.54 0.95 0.00 0.00 175.26 176.19 3hfu s SER 128 N -1.72 6.80 0.30 0.83 1.04 -1.26 -4.92 113.70 114.77 3hfu s SER 128 Ca 0.27 1.50 0.02 0.00 0.48 0.00 0.00 55.95 58.22 3hfu s SER 128 Cb -0.13 -2.47 0.57 0.00 0.10 0.00 0.00 66.02 64.09 3hfu s SER 128 CO 0.16 -0.35 1.87 -0.61 0.98 0.00 0.00 173.24 175.29 3hfu h GLN 129 N 1.79 0.96 -0.70 4.02 4.15 -1.96 -1.16 115.11 122.22 3hfu h GLN 129 Ca -0.48 -0.06 0.08 0.00 0.77 0.00 0.00 58.65 58.96 3hfu h GLN 129 Cb 1.18 -0.22 -0.06 0.00 0.21 0.00 0.00 27.48 28.59 3hfu h GLN 129 CO 0.63 0.63 0.38 0.93 -1.93 0.00 0.00 178.83 179.47 3hfu h GLU 130 N 0.99 0.65 -0.38 1.69 3.07 -2.02 0.00 114.58 118.57 3hfu h GLU 130 Ca 0.44 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 59.20 3hfu h GLU 130 Cb 0.37 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 3hfu h GLU 130 CO -0.20 0.43 -0.02 0.87 -1.40 0.00 0.00 179.01 178.69 3hfu h LYS 131 N 0.66 0.68 0.78 2.33 1.57 -1.68 -1.46 116.57 119.46 3hfu h LYS 131 Ca 0.33 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3hfu h LYS 131 Cb 0.28 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 3hfu h LYS 131 CO -0.22 0.79 -0.46 0.82 -0.57 0.00 0.00 179.45 179.81 3hfu h ILE 132 N 0.50 0.00 -0.62 1.86 2.04 -0.77 -2.93 117.51 117.58 3hfu h ILE 132 Ca 0.11 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.09 3hfu h ILE 132 Cb 0.49 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.45 3hfu h ILE 132 CO 0.02 0.00 -0.15 -0.33 0.00 0.00 0.00 178.15 177.69 3hfu h GLU 133 N -1.15 0.00 -0.02 2.37 5.08 -1.02 0.19 114.58 120.03 3hfu h GLU 133 Ca -0.11 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3hfu h GLU 133 Cb 0.92 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 3hfu h GLU 133 CO 0.12 0.00 0.00 -3.47 -1.00 0.00 0.00 179.01 174.66 3hfu n ASP 134 N -5.42 0.00 0.00 1.42 2.03 -0.55 -1.94 116.55 112.09 3hfu n ASP 134 Ca 0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.38 3hfu n ASP 134 Cb 0.33 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 3hfu n ASP 134 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3hfu n LEU 136 N 0.47 0.00 0.15 -2.67 4.77 0.65 -1.74 117.00 118.63 3hfu n LEU 136 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3hfu n LEU 136 Cb 0.00 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.30 3hfu n LEU 136 CO 0.00 0.00 0.54 0.00 -1.33 0.00 0.00 177.39 176.60 3hfu n ARG 138 N -3.79 2.96 -3.57 0.00 1.74 -0.71 -4.91 116.66 108.38 3hfu n ARG 138 Ca -0.01 -2.00 -0.27 0.00 -0.77 0.00 0.00 57.85 54.80 3hfu n ARG 138 Cb 0.58 -1.73 0.01 0.00 -1.02 0.00 0.00 32.46 30.31 3hfu n ARG 138 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3hfu n ASP 139 N 0.69 -4.54 -0.30 0.55 8.00 -1.02 -4.83 116.55 115.10 3hfu n ASP 139 Ca 0.18 -0.56 0.10 0.00 0.71 0.00 0.00 54.79 55.23 3hfu n ASP 139 Cb 0.68 -3.67 -0.05 0.00 -0.02 0.00 0.00 41.12 38.05 3hfu n ASP 139 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hfu n GLU 140 N -4.19 0.83 -4.09 -1.24 1.02 -1.26 -4.91 120.64 106.80 3hfu n GLU 140 Ca -0.00 -0.61 -0.12 0.00 -0.02 0.00 0.00 57.16 56.41 3hfu n GLU 140 Cb 0.54 -1.47 -0.11 0.00 -0.02 0.00 0.00 31.44 30.39 3hfu n GLU 140 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3hfu s LEU 141 N -2.65 2.33 -0.23 -4.62 1.43 -1.26 -4.95 118.68 108.72 3hfu s LEU 141 Ca 0.14 -0.68 -0.05 0.00 -1.03 0.00 0.00 54.13 52.51 3hfu s LEU 141 Cb 0.17 -0.13 -0.18 0.00 0.03 0.00 0.00 46.19 46.08 3hfu s LEU 141 CO 0.67 -0.28 -0.11 0.47 0.23 0.00 0.00 176.35 177.33 3hfu n ASP 142 N 1.05 1.99 -4.02 2.29 8.00 -0.32 -4.73 116.55 120.81 3hfu n ASP 142 Ca -0.20 0.08 -0.13 0.00 0.71 0.00 0.00 54.79 55.25 3hfu n ASP 142 Cb 0.56 -0.63 -0.12 0.00 -0.02 0.00 0.00 41.12 40.91 3hfu n ASP 142 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hfu s VAL 143 N -2.51 0.44 0.07 2.53 1.01 -0.87 -4.78 120.40 116.29 3hfu s VAL 143 Ca -0.33 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 60.82 3hfu s VAL 143 Cb 0.10 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 3hfu s VAL 143 CO 0.61 -0.29 -0.07 -0.83 0.00 0.00 0.00 175.10 174.51 3hfu s GLY 144 N -1.23 0.65 -0.08 4.51 0.00 -0.71 -1.56 107.32 108.91 3hfu s GLY 144 Ca -0.08 -1.06 -0.01 0.00 0.00 0.00 0.00 44.72 43.57 3hfu s GLY 144 CO 0.00 -1.14 -0.01 -0.42 0.00 0.00 0.00 173.10 171.53 3hfu s ILE 145 N -2.46 0.45 0.00 0.90 1.09 -0.06 0.57 121.20 121.69 3hfu s ILE 145 Ca 0.01 0.07 0.00 0.00 -1.10 0.00 0.00 60.65 59.63 3hfu s ILE 145 Cb -0.03 -0.59 0.00 0.00 -1.06 0.00 0.00 42.46 40.78 3hfu s ILE 145 CO -0.02 0.27 0.00 0.00 -0.10 0.00 0.00 174.94 175.09 3hfu n ALA 146 N 5.12 0.00 -2.44 9.38 0.00 -0.17 -2.00 120.51 130.40 3hfu n ALA 146 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.15 3hfu n ALA 146 Cb 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 3hfu n ALA 146 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3hfu s PHE 147 N -0.16 1.99 0.27 0.00 0.40 -1.26 0.11 117.98 119.33 3hfu s PHE 147 Ca 0.00 -0.68 -0.22 0.00 -0.60 0.00 0.00 56.93 55.43 3hfu s PHE 147 Cb 0.00 -1.14 -0.09 0.00 0.51 0.00 0.00 43.02 42.30 3hfu s PHE 147 CO 0.00 0.31 0.82 0.00 0.70 0.00 0.00 175.22 177.05 3hfu s ALA 148 N -2.97 3.32 0.24 5.36 0.00 -0.72 -4.16 121.76 122.82 3hfu s ALA 148 Ca 0.30 0.30 -0.11 0.00 0.00 0.00 0.00 51.96 52.45 3hfu s ALA 148 Cb 0.04 -2.97 -0.08 0.00 0.00 0.00 0.00 23.12 20.11 3hfu s ALA 148 CO 0.12 0.26 0.59 -1.25 0.00 0.00 0.00 175.76 175.48 3hfu s PRO 149 N -2.10 3.86 -0.02 0.00 0.04 -1.26 -4.68 135.00 130.84 3hfu s PRO 149 Ca 0.47 0.38 -0.22 0.00 0.04 0.00 0.00 61.00 61.67 3hfu s PRO 149 Cb -0.17 -2.64 -0.05 0.00 0.04 0.00 0.00 34.50 31.68 3hfu s PRO 149 CO 0.21 0.30 0.64 0.08 0.04 0.00 0.00 177.00 178.28 3hfu s VAL 150 N -1.81 4.93 -0.03 -0.36 1.01 -1.26 -4.99 120.40 117.91 3hfu s VAL 150 Ca 0.48 1.34 0.04 0.00 0.00 0.00 0.00 61.98 63.83 3hfu s VAL 150 Cb -0.11 -3.98 -0.25 0.00 0.00 0.00 0.00 36.38 32.03 3hfu s VAL 150 CO 0.20 0.36 0.73 0.45 0.00 0.00 0.00 175.10 176.84 3hfu h HIS 151 N 6.01 0.23 -3.17 5.22 3.86 -1.98 -3.46 115.15 121.86 3hfu h HIS 151 Ca -0.44 -0.17 -0.54 0.00 -1.16 0.00 0.00 60.37 58.06 3hfu h HIS 151 Cb 1.20 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.65 3hfu h HIS 151 CO 0.65 1.26 0.60 -1.12 0.86 0.00 0.00 177.93 180.18 3hfu s SER 152 N -6.60 7.11 0.07 2.45 0.01 -1.26 -4.92 113.70 110.56 3hfu s SER 152 Ca -0.09 1.84 0.28 0.00 1.31 0.00 0.00 55.95 59.30 3hfu s SER 152 Cb 0.08 -2.57 1.09 0.00 0.21 0.00 0.00 66.02 64.83 3hfu s SER 152 CO 0.82 -0.49 1.87 -0.81 0.41 0.00 0.00 173.24 175.04 3hfu n PRO 153 N 4.59 0.09 0.03 12.44 -0.04 -1.26 -3.08 135.00 147.77 3hfu n PRO 153 Ca 0.09 0.08 0.13 0.00 -0.04 0.00 0.00 63.50 63.76 3hfu n PRO 153 Cb 0.47 -1.60 0.46 0.00 -0.04 0.00 0.00 33.50 32.78 3hfu n PRO 153 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3hfu n GLU 154 N -1.75 0.08 -3.77 0.54 4.71 -1.26 -4.84 120.64 114.35 3hfu n GLU 154 Ca 0.06 0.05 -0.33 0.00 -0.01 0.00 0.00 57.16 56.94 3hfu n GLU 154 Cb 0.37 -1.58 -0.05 0.00 -1.01 0.00 0.00 31.44 29.17 3hfu n GLU 154 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3hfu s LEU 155 N -3.44 4.33 0.11 -4.62 1.43 -1.18 -0.44 118.68 114.88 3hfu s LEU 155 Ca 0.12 0.50 0.03 0.00 -1.03 0.00 0.00 54.13 53.75 3hfu s LEU 155 Cb 0.17 -2.95 -0.04 0.00 0.03 0.00 0.00 46.19 43.40 3hfu s LEU 155 CO 0.60 0.17 0.12 -0.70 0.23 0.00 0.00 176.35 176.76 3hfu s GLU 156 N -2.23 2.96 -0.10 1.70 2.12 0.20 -4.77 118.70 118.57 3hfu s GLU 156 Ca 0.34 -0.73 -0.01 0.00 0.36 0.00 0.00 54.97 54.93 3hfu s GLU 156 Cb -0.13 -2.74 0.03 0.00 0.26 0.00 0.00 34.13 31.55 3hfu s GLU 156 CO 0.22 0.54 -0.04 0.00 -0.54 0.00 0.00 175.26 175.43 3hfu s ALA 157 N -1.54 1.07 -0.27 6.30 0.00 -1.26 -2.69 121.76 123.37 3hfu s ALA 157 Ca 0.31 -0.39 -0.08 0.00 0.00 0.00 0.00 51.96 51.79 3hfu s ALA 157 Cb -0.11 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 3hfu s ALA 157 CO 0.23 -0.47 0.11 0.42 0.00 0.00 0.00 175.76 176.05 3hfu s ILE 158 N 1.82 4.47 0.09 0.00 1.01 -0.80 -4.91 121.20 122.87 3hfu s ILE 158 Ca 0.05 -0.25 -0.33 0.00 0.00 0.00 0.00 60.65 60.11 3hfu s ILE 158 Cb -0.13 -3.17 -0.13 0.00 0.01 0.00 0.00 42.46 39.05 3hfu s ILE 158 CO -0.07 0.23 1.71 -2.65 0.00 0.00 0.00 174.94 174.16 3hfu n PRO 159 N 4.95 2.28 -0.08 2.79 -0.02 -1.26 -1.06 135.00 142.60 3hfu n PRO 159 Ca -0.15 0.83 -0.12 0.00 -2.02 0.00 0.00 63.50 62.04 3hfu n PRO 159 Cb 0.50 -2.64 -0.04 0.00 -0.02 0.00 0.00 33.50 31.31 3hfu n PRO 159 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3hfu n LEU 160 N 4.69 1.74 -3.78 2.45 7.94 0.23 -4.88 117.00 125.39 3hfu n LEU 160 Ca 0.19 0.29 -0.06 0.00 -1.11 0.00 0.00 56.01 55.32 3hfu n LEU 160 Cb 0.30 -0.67 -0.02 0.00 0.53 0.00 0.00 43.42 43.57 3hfu n LEU 160 CO 0.67 -0.15 0.59 -1.48 -1.11 0.00 0.00 177.39 175.90 3hfu s LEU 161 N -7.61 -0.24 -0.30 -1.96 0.05 -1.16 -4.82 118.68 102.63 3hfu s LEU 161 Ca -0.26 -0.47 -0.08 0.00 0.05 0.00 0.00 54.13 53.37 3hfu s LEU 161 Cb 0.06 2.45 0.00 0.00 -2.05 0.00 0.00 46.19 46.65 3hfu s LEU 161 CO 0.36 -1.11 0.11 -0.89 -0.55 0.00 0.00 176.35 174.28 3hfu s THR 162 N -3.60 4.23 -0.32 5.48 2.01 -1.26 0.49 115.64 122.66 3hfu s THR 162 Ca 0.11 -0.60 -0.09 0.00 0.31 0.00 0.00 61.69 61.42 3hfu s THR 162 Cb -0.04 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.30 3hfu s THR 162 CO 0.04 0.06 0.15 -0.70 -0.69 0.00 0.00 174.62 173.47 3hfu s GLU 163 N 1.55 3.16 -0.13 4.92 2.12 -0.02 -4.95 118.70 125.35 3hfu s GLU 163 Ca 0.03 -0.83 -0.02 0.00 0.36 0.00 0.00 54.97 54.51 3hfu s GLU 163 Cb -0.17 -3.56 -0.03 0.00 0.26 0.00 0.00 34.13 30.63 3hfu s GLU 163 CO 0.04 -0.49 -0.05 -1.54 -0.54 0.00 0.00 175.26 172.68 3hfu s SER 164 N 1.57 4.69 0.45 -1.70 1.04 -1.26 -1.36 113.70 117.13 3hfu s SER 164 Ca 0.03 -0.12 -0.25 0.00 0.48 0.00 0.00 55.95 56.10 3hfu s SER 164 Cb -0.18 -1.62 -0.08 0.00 0.10 0.00 0.00 66.02 64.25 3hfu s SER 164 CO 0.05 0.22 1.36 -0.76 0.98 0.00 0.00 173.24 175.09 3hfu s LEU 165 N 0.06 4.09 0.18 2.42 1.43 -0.63 -2.57 118.68 123.66 3hfu s LEU 165 Ca -0.01 2.76 0.01 0.00 -1.03 0.00 0.00 54.13 55.86 3hfu s LEU 165 Cb -0.14 -4.01 -0.05 0.00 0.03 0.00 0.00 46.19 42.03 3hfu s LEU 165 CO 0.03 -1.13 0.04 0.00 0.23 0.00 0.00 176.35 175.52 3hfu s ALA 166 N -1.26 1.30 -0.38 4.21 0.00 0.76 -4.61 121.76 121.77 3hfu s ALA 166 Ca 0.62 -1.62 -0.23 0.00 0.00 0.00 0.00 51.96 50.72 3hfu s ALA 166 Cb -0.40 0.76 0.01 0.00 0.00 0.00 0.00 23.12 23.50 3hfu s ALA 166 CO 0.51 -0.40 0.80 -1.17 0.00 0.00 0.00 175.76 175.50 3hfu s LEU 167 N -3.17 4.13 -0.24 0.00 2.96 -0.33 -2.08 118.68 119.95 3hfu s LEU 167 Ca 0.27 0.31 -0.14 0.00 -0.22 0.00 0.00 54.13 54.36 3hfu s LEU 167 Cb 0.07 -3.05 -0.04 0.00 0.50 0.00 0.00 46.19 43.67 3hfu s LEU 167 CO 0.06 -0.78 0.31 -0.69 -1.32 0.00 0.00 176.35 173.93 3hfu s VAL 168 N 3.19 5.24 0.21 1.68 1.01 -0.07 0.35 120.40 132.00 3hfu s VAL 168 Ca 0.32 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.79 3hfu s VAL 168 Cb -0.13 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 3hfu s VAL 168 CO 0.18 0.25 0.09 0.68 0.00 0.00 0.00 175.10 176.30 3hfu s VAL 169 N 1.51 0.31 0.58 2.92 -7.23 -0.08 -2.37 120.40 116.05 3hfu s VAL 169 Ca 0.14 -1.98 -0.08 0.00 -1.81 0.00 0.00 61.98 58.25 3hfu s VAL 169 Cb -0.15 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 3hfu s VAL 169 CO 0.08 -0.14 0.93 0.00 -0.31 0.00 0.00 175.10 175.66 3hfu s ALA 170 N -3.93 3.22 0.57 1.32 0.00 -1.26 -0.07 121.76 121.61 3hfu s ALA 170 Ca 0.34 -0.41 0.39 0.00 0.00 0.00 0.00 51.96 52.28 3hfu s ALA 170 Cb 0.07 -2.79 2.11 0.00 0.00 0.00 0.00 23.12 22.50 3hfu s ALA 170 CO 0.10 -0.67 2.28 -0.56 0.00 0.00 0.00 175.76 176.91 3hfu h GLN 171 N -0.15 0.00 -0.25 0.00 3.07 -1.60 -1.17 115.11 115.01 3hfu h GLN 171 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.29 3hfu h GLN 171 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.78 3hfu h GLN 171 CO 0.62 0.01 0.00 -2.39 0.09 0.00 0.00 178.83 177.16 3hfu n HIS 172 N -3.30 0.32 -2.41 0.06 1.44 -1.26 -4.80 115.22 105.27 3hfu n HIS 172 Ca -0.02 -0.16 -0.41 0.00 -2.01 0.00 0.00 57.72 55.12 3hfu n HIS 172 Cb 0.11 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.19 3hfu n HIS 172 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 3hfu s HIS 173 N -1.68 3.48 0.66 -1.40 5.04 -0.44 -4.91 115.29 116.03 3hfu s HIS 173 Ca 0.34 1.54 0.31 0.00 -1.54 0.00 0.00 55.06 55.71 3hfu s HIS 173 Cb 0.19 -3.37 1.71 0.00 0.04 0.00 0.00 32.58 31.15 3hfu s HIS 173 CO 0.27 -0.94 1.98 -1.00 -2.34 0.00 0.00 174.74 172.71 3hfu h PRO 174 N 4.70 0.00 0.00 2.88 0.13 -1.90 -1.00 132.00 136.81 3hfu h PRO 174 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3hfu h PRO 174 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3hfu h PRO 174 CO 0.71 0.00 -0.89 1.28 -0.23 0.00 0.00 178.00 178.88 3hfu n LEU 175 N -3.01 0.66 -0.15 1.56 4.77 -1.26 -4.35 117.00 115.22 3hfu n LEU 175 Ca -0.01 -0.12 0.29 0.00 -0.03 0.00 0.00 56.01 56.13 3hfu n LEU 175 Cb 0.36 -0.12 0.70 0.00 -2.33 0.00 0.00 43.42 42.04 3hfu n LEU 175 CO 0.16 0.11 1.26 0.00 -1.33 0.00 0.00 177.39 177.59 3hfu h ALA 176 N 2.76 2.74 0.00 -1.18 0.00 -1.45 0.99 119.26 123.13 3hfu h ALA 176 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hfu h ALA 176 Cb 0.62 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3hfu h ALA 176 CO 0.00 -1.20 -0.03 -0.24 0.00 0.00 0.00 179.25 177.77 3hfu h VAL 177 N 0.00 0.22 -2.71 0.00 3.04 -1.77 -3.43 116.25 111.60 3hfu h VAL 177 Ca 0.42 -0.24 -0.50 0.00 -1.01 0.00 0.00 66.70 65.37 3hfu h VAL 177 Cb 1.92 1.19 -0.01 0.00 -2.01 0.00 0.00 31.29 32.38 3hfu h VAL 177 CO -0.00 0.03 -0.29 -1.00 -1.01 0.00 0.00 177.57 175.29 3hfu s HIS 178 N -4.13 3.48 -0.18 3.17 4.02 0.34 -4.99 115.29 117.00 3hfu s HIS 178 Ca -0.03 0.28 0.14 0.00 1.02 0.00 0.00 55.06 56.47 3hfu s HIS 178 Cb 0.12 -1.82 -0.24 0.00 -1.02 0.00 0.00 32.58 29.63 3hfu s HIS 178 CO 0.50 0.29 0.14 0.39 1.02 0.00 0.00 174.74 177.08 3hfu n GLU 179 N -1.24 0.68 -3.79 1.40 4.71 -1.26 -4.80 120.64 116.33 3hfu n GLU 179 Ca -0.05 0.07 -0.13 0.00 -0.01 0.00 0.00 57.16 57.04 3hfu n GLU 179 Cb 0.55 -1.57 -0.13 0.00 -1.01 0.00 0.00 31.44 29.28 3hfu n GLU 179 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 177.13 176.08 3hfu s GLN 180 N -2.51 0.16 0.25 3.49 0.74 -1.26 0.40 119.66 120.92 3hfu s GLN 180 Ca -0.13 0.28 0.04 0.00 0.05 0.00 0.00 55.36 55.60 3hfu s GLN 180 Cb 0.07 -0.00 -0.05 0.00 1.10 0.00 0.00 33.01 34.12 3hfu s GLN 180 CO 0.79 -0.07 0.00 0.14 -0.55 0.00 0.00 175.29 175.60 3hfu s VAL 181 N 0.48 1.09 0.44 1.34 -7.23 0.16 -4.90 120.40 111.77 3hfu s VAL 181 Ca -0.03 -2.04 -0.24 0.00 -1.81 0.00 0.00 61.98 57.86 3hfu s VAL 181 Cb -0.05 -2.41 -0.08 0.00 0.56 0.00 0.00 36.38 34.41 3hfu s VAL 181 CO -0.02 -0.28 1.23 0.00 -0.31 0.00 0.00 175.10 175.72 3hfu s ALA 182 N -3.38 3.08 0.62 1.32 0.00 -1.26 -0.41 121.76 121.73 3hfu s ALA 182 Ca 0.30 1.09 0.37 0.00 0.00 0.00 0.00 51.96 53.71 3hfu s ALA 182 Cb 0.06 -3.44 2.11 0.00 0.00 0.00 0.00 23.12 21.85 3hfu s ALA 182 CO 0.10 -0.78 2.31 1.25 0.00 0.00 0.00 175.76 178.64 3hfu h LEU 183 N 2.30 0.00 -2.20 0.00 5.85 -1.15 -1.84 115.31 118.27 3hfu h LEU 183 Ca -0.49 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 3hfu h LEU 183 Cb 1.25 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 3hfu h LEU 183 CO 0.61 0.00 -0.06 0.77 -0.34 0.00 0.00 178.44 179.42 3hfu h SER 184 N 0.00 0.00 0.01 1.25 4.64 -1.90 -2.94 113.55 114.61 3hfu h SER 184 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hfu h SER 184 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3hfu h SER 184 CO 0.00 0.06 0.00 0.03 -0.87 0.00 0.00 176.83 176.05 3hfu h ARG 185 N 0.00 0.00 0.00 4.77 2.47 -1.71 -2.67 114.38 117.25 3hfu h ARG 185 Ca -0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 3hfu h ARG 185 Cb 0.18 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.50 3hfu h ARG 185 CO 0.01 0.00 -0.08 -0.07 0.56 0.00 0.00 179.97 180.39 3hfu h LEU 186 N 0.00 0.00 -1.62 3.04 3.38 -1.75 -2.77 115.31 115.59 3hfu h LEU 186 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3hfu h LEU 186 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3hfu h LEU 186 CO 0.00 0.08 0.27 -0.74 0.09 0.00 0.00 178.44 178.13 3hfu h HIS 187 N 0.00 0.48 -0.01 1.13 2.76 -1.74 -2.10 115.15 115.67 3hfu h HIS 187 Ca -0.00 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3hfu h HIS 187 Cb 0.30 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.09 3hfu h HIS 187 CO 0.00 0.30 -0.34 -0.25 -1.30 0.00 0.00 177.93 176.34 3hfu n ASP 188 N -4.48 1.45 -4.71 3.26 8.00 -1.05 -4.68 116.55 114.34 3hfu n ASP 188 Ca 0.03 -1.16 -0.41 0.00 0.71 0.00 0.00 54.79 53.97 3hfu n ASP 188 Cb 0.09 0.27 -0.04 0.00 -0.02 0.00 0.00 41.12 41.42 3hfu n ASP 188 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hfu s GLU 189 N -2.48 4.49 -0.34 -1.24 0.41 -0.79 -5.02 118.70 113.73 3hfu s GLU 189 Ca 0.22 1.09 -0.19 0.00 -0.41 0.00 0.00 54.97 55.69 3hfu s GLU 189 Cb 0.19 -3.45 -0.00 0.00 -1.78 0.00 0.00 34.13 29.08 3hfu s GLU 189 CO 0.54 0.02 0.55 0.15 -0.49 0.00 0.00 175.26 176.03 3hfu s LYS 190 N 0.88 3.71 0.20 1.61 1.02 -1.26 -3.64 119.74 122.25 3hfu s LYS 190 Ca 0.43 -0.02 0.04 0.00 0.02 0.00 0.00 55.97 56.45 3hfu s LYS 190 Cb -0.19 -3.79 -0.03 0.00 -0.52 0.00 0.00 37.83 33.30 3hfu s LYS 190 CO 0.22 -0.63 0.32 -0.51 -0.92 0.00 0.00 175.35 173.83 3hfu s LEU 191 N 2.49 4.30 -0.22 3.17 1.43 0.26 -2.67 118.68 127.44 3hfu s LEU 191 Ca 0.21 0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 3hfu s LEU 191 Cb -0.15 -2.85 0.04 0.00 0.03 0.00 0.00 46.19 43.26 3hfu s LEU 191 CO 0.13 -0.02 -0.13 -0.69 0.23 0.00 0.00 176.35 175.87 3hfu s VAL 192 N -1.89 1.96 0.29 -1.59 1.01 0.08 -1.47 120.40 118.78 3hfu s VAL 192 Ca 0.34 -1.23 0.07 0.00 0.00 0.00 0.00 61.98 61.16 3hfu s VAL 192 Cb -0.10 -1.97 -0.06 0.00 0.00 0.00 0.00 36.38 34.25 3hfu s VAL 192 CO 0.29 0.19 -0.08 -0.76 0.00 0.00 0.00 175.10 174.74 3hfu s LEU 193 N 1.25 2.54 0.60 3.92 1.43 -0.24 -4.43 118.68 123.76 3hfu s LEU 193 Ca -0.03 -1.18 -0.17 0.00 -1.03 0.00 0.00 54.13 51.73 3hfu s LEU 193 Cb -0.17 -0.73 -0.03 0.00 0.03 0.00 0.00 46.19 45.30 3hfu s LEU 193 CO -0.08 -0.29 1.10 -0.76 0.23 0.00 0.00 176.35 176.55 3hfu s LEU 194 N -3.47 3.54 0.65 1.79 1.43 -1.26 -1.25 118.68 120.11 3hfu s LEU 194 Ca 0.30 2.02 -0.11 0.00 -1.03 0.00 0.00 54.13 55.31 3hfu s LEU 194 Cb 0.03 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 41.67 3hfu s LEU 194 CO 0.13 -1.39 1.04 -0.94 0.23 0.00 0.00 176.35 175.42 3hfu s SER 195 N -2.34 5.91 0.51 2.29 1.04 -0.73 -4.75 113.70 115.63 3hfu s SER 195 Ca 0.68 1.49 0.39 0.00 0.48 0.00 0.00 55.95 58.99 3hfu s SER 195 Cb -0.21 -2.47 1.57 0.00 0.10 0.00 0.00 66.02 65.01 3hfu s SER 195 CO 0.35 -1.09 1.65 0.00 0.98 0.00 0.00 173.24 175.13 3hfu h ALA 196 N -0.47 3.25 -0.93 5.32 0.00 -1.95 0.10 119.26 124.58 3hfu h ALA 196 Ca -0.44 0.01 0.26 0.00 0.00 0.00 0.00 54.91 54.74 3hfu h ALA 196 Cb 1.20 0.15 -0.16 0.00 0.00 0.00 0.00 17.79 18.97 3hfu h ALA 196 CO 0.60 -1.78 0.14 0.93 0.00 0.00 0.00 179.25 179.14 3hfu h GLU 197 N 0.05 0.08 -6.66 0.00 5.08 -1.98 -3.41 114.58 107.74 3hfu h GLU 197 Ca 0.80 -0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 58.65 3hfu h GLU 197 Cb 2.94 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 32.17 3hfu h GLU 197 CO -0.16 0.05 0.41 -0.06 -1.00 0.00 0.00 179.01 178.25 3hfu s PHE 198 N -5.95 3.75 0.25 4.33 0.40 0.35 -4.96 117.98 116.16 3hfu s PHE 198 Ca -0.12 1.74 -0.05 0.00 -0.60 0.00 0.00 56.93 57.90 3hfu s PHE 198 Cb 0.28 -3.14 0.33 0.00 0.51 0.00 0.00 43.02 41.00 3hfu s PHE 198 CO 0.77 -0.10 1.89 0.00 0.70 0.00 0.00 175.22 178.48 3hfu h ALA 199 N 4.99 1.28 -0.17 5.36 0.00 -1.88 -2.18 119.26 126.65 3hfu h ALA 199 Ca -0.44 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.46 3hfu h ALA 199 Cb 1.21 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3hfu h ALA 199 CO 0.71 0.46 0.00 1.15 0.00 0.00 0.00 179.25 181.57 3hfu h THR 200 N 1.17 0.89 -0.30 0.00 2.02 -1.93 -0.67 112.91 114.08 3hfu h THR 200 Ca 0.39 -0.02 0.04 0.00 0.77 0.00 0.00 66.41 67.58 3hfu h THR 200 Cb 0.06 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 3hfu h THR 200 CO -0.14 0.01 0.09 -0.09 0.37 0.00 0.00 175.52 175.76 3hfu h ARG 201 N 0.06 0.21 -0.53 6.66 9.65 -1.71 0.33 114.38 129.06 3hfu h ARG 201 Ca 0.08 -0.01 0.11 0.00 -1.10 0.00 0.00 59.98 59.05 3hfu h ARG 201 Cb 0.09 -0.05 -0.10 0.00 -1.39 0.00 0.00 29.97 28.52 3hfu h ARG 201 CO -0.13 0.14 -0.18 1.49 2.80 0.00 0.00 179.97 184.09 3hfu h GLU 202 N 0.22 -0.05 -0.67 0.20 4.81 -0.85 0.78 114.58 119.02 3hfu h GLU 202 Ca 0.14 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3hfu h GLU 202 Cb 0.12 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 3hfu h GLU 202 CO -0.15 -0.03 0.40 1.96 -0.73 0.00 0.00 179.01 180.45 3hfu h GLN 203 N -0.05 0.91 0.37 1.92 1.08 -0.48 -1.31 115.11 117.54 3hfu h GLN 203 Ca 0.25 -0.09 -0.00 0.00 -1.45 0.00 0.00 58.65 57.36 3hfu h GLN 203 Cb 0.44 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 27.65 3hfu h GLN 203 CO -0.57 0.66 -0.48 0.82 -0.95 0.00 0.00 178.83 178.31 3hfu h ILE 204 N 0.91 0.07 -0.93 2.54 1.08 0.87 -0.86 117.51 121.19 3hfu h ILE 204 Ca 0.24 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.83 3hfu h ILE 204 Cb -0.01 0.07 -0.07 0.00 -3.07 0.00 0.00 36.82 33.73 3hfu h ILE 204 CO -0.04 0.00 0.60 0.44 -0.69 0.00 0.00 178.15 178.45 3hfu h ASP 205 N -0.88 0.79 0.56 1.72 3.32 -0.68 0.05 116.42 121.30 3hfu h ASP 205 Ca -0.04 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 3hfu h ASP 205 Cb 0.80 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 40.24 3hfu h ASP 205 CO -0.13 0.43 -0.27 -0.74 -1.72 0.00 0.00 179.24 176.81 3hfu h HIS 206 N 0.85 -0.70 0.00 4.55 2.76 -0.72 -2.59 115.15 119.31 3hfu h HIS 206 Ca 0.46 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.59 3hfu h HIS 206 Cb 0.55 0.23 -0.00 0.00 1.55 0.00 0.00 27.41 29.74 3hfu h HIS 206 CO -0.00 -0.37 -0.10 1.88 -1.30 0.00 0.00 177.93 178.04 3hfu h TYR 207 N -1.07 0.00 0.21 5.26 -1.99 -1.02 -0.72 116.97 117.64 3hfu h TYR 207 Ca -0.08 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.64 3hfu h TYR 207 Cb 0.64 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.37 3hfu h TYR 207 CO 0.01 0.10 -0.10 0.00 -0.00 0.00 0.00 178.16 178.17 3hfu h GLU 209 N -0.75 0.54 -0.16 0.00 4.57 -1.35 0.29 114.58 117.72 3hfu h GLU 209 Ca -0.03 -0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.17 3hfu h GLU 209 Cb 0.50 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 3hfu h GLU 209 CO 0.05 0.36 0.14 -0.22 -1.18 0.00 0.00 179.01 178.15 3hfu h LYS 210 N 0.56 0.00 -0.02 1.92 3.64 -1.01 0.19 116.57 121.85 3hfu h LYS 210 Ca 0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3hfu h LYS 210 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3hfu h LYS 210 CO -0.24 0.00 -0.25 0.00 -2.27 0.00 0.00 179.45 176.69 3hfu n ALA 211 N -2.47 3.03 -0.69 5.00 0.00 -0.11 -4.95 120.51 120.31 3hfu n ALA 211 Ca 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.79 3hfu n ALA 211 Cb 0.26 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.94 3hfu n ALA 211 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hfu n GLY 212 N 1.35 0.63 3.73 0.00 0.00 0.05 -5.04 105.19 105.91 3hfu n GLY 212 Ca 0.11 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 3hfu n GLY 212 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hfu s LEU 213 N 0.00 4.25 -0.42 0.99 1.43 0.81 -4.96 118.68 120.78 3hfu s LEU 213 Ca 0.00 0.50 0.11 0.00 -1.03 0.00 0.00 54.13 53.71 3hfu s LEU 213 Cb 0.00 -2.37 0.38 0.00 0.03 0.00 0.00 46.19 44.23 3hfu s LEU 213 CO 0.00 0.11 0.87 1.41 0.23 0.00 0.00 176.35 178.97 3hfu n HIS 214 N 3.54 1.70 -0.76 0.29 8.25 -1.26 -3.55 115.22 123.42 3hfu n HIS 214 Ca -0.12 -3.57 -0.31 0.00 -0.26 0.00 0.00 57.72 53.46 3hfu n HIS 214 Cb 0.52 -0.39 0.16 0.00 1.12 0.00 0.00 29.99 31.40 3hfu n HIS 214 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3hfu s PRO 215 N -2.95 1.10 -0.10 -0.41 0.04 -1.26 -4.95 135.00 126.47 3hfu s PRO 215 Ca 0.40 1.59 -0.24 0.00 0.04 0.00 0.00 61.00 62.79 3hfu s PRO 215 Cb 0.36 -1.73 -0.03 0.00 0.04 0.00 0.00 34.50 33.14 3hfu s PRO 215 CO -0.08 -2.58 0.74 -1.14 0.04 0.00 0.00 177.00 173.98 3hfu s GLN 216 N -4.57 4.39 -0.55 4.56 0.74 -1.24 -4.98 119.66 118.01 3hfu s GLN 216 Ca 0.68 0.92 -0.16 0.00 0.05 0.00 0.00 55.36 56.85 3hfu s GLN 216 Cb -0.24 -3.49 0.13 0.00 1.10 0.00 0.00 33.01 30.52 3hfu s GLN 216 CO 0.57 -0.05 0.51 0.08 -0.55 0.00 0.00 175.29 175.84 3hfu s VAL 217 N 1.20 5.19 -0.29 1.34 1.01 -1.26 -0.57 120.40 127.02 3hfu s VAL 217 Ca 0.38 -1.57 0.20 0.00 0.00 0.00 0.00 61.98 60.99 3hfu s VAL 217 Cb -0.17 -4.32 0.16 0.00 0.00 0.00 0.00 36.38 32.04 3hfu s VAL 217 CO 0.17 -0.88 1.41 -0.37 0.00 0.00 0.00 175.10 175.43 3hfu h VAL 218 N 5.84 0.35 -3.45 2.92 -1.51 -1.59 -3.46 116.25 115.33 3hfu h VAL 218 Ca -0.27 -1.52 -0.24 0.00 -1.23 0.00 0.00 66.70 63.44 3hfu h VAL 218 Cb 1.10 2.09 -0.30 0.00 -2.13 0.00 0.00 31.29 32.04 3hfu h VAL 218 CO 1.02 0.20 -0.64 -0.63 -1.23 0.00 0.00 177.57 176.28 3hfu s ILE 219 N -3.12 -0.03 -0.02 7.19 -1.09 -1.10 -5.06 121.20 117.98 3hfu s ILE 219 Ca 0.04 0.10 0.06 0.00 -2.23 0.00 0.00 60.65 58.62 3hfu s ILE 219 Cb 0.07 -0.14 -0.01 0.00 -1.58 0.00 0.00 42.46 40.79 3hfu s ILE 219 CO 0.72 0.04 -0.21 -1.61 -1.23 0.00 0.00 174.94 172.66 3hfu s GLU 220 N 0.60 1.71 0.05 2.79 2.02 -1.26 -1.08 118.70 123.53 3hfu s GLU 220 Ca -0.05 -0.74 -0.06 0.00 0.02 0.00 0.00 54.97 54.15 3hfu s GLU 220 Cb -0.06 -1.63 -0.01 0.00 0.10 0.00 0.00 34.13 32.52 3hfu s GLU 220 CO -0.02 0.43 0.10 0.00 0.02 0.00 0.00 175.26 175.79 3hfu s ALA 221 N -0.44 -0.04 -0.46 5.21 0.00 -0.38 -4.95 121.76 120.69 3hfu s ALA 221 Ca 0.07 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 51.45 3hfu s ALA 221 Cb -0.08 0.29 0.62 0.00 0.00 0.00 0.00 23.12 23.95 3hfu s ALA 221 CO -0.00 -0.35 1.88 0.27 0.00 0.00 0.00 175.76 177.55 3hfu n ASN 222 N 0.57 4.07 -3.67 0.00 6.94 -1.26 -1.77 115.26 120.14 3hfu n ASN 222 Ca -0.18 -3.65 -0.09 0.00 -0.02 0.00 0.00 54.58 50.64 3hfu n ASN 222 Cb 0.59 -0.83 -0.09 0.00 -2.36 0.00 0.00 39.78 37.09 3hfu n ASN 222 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3hfu s SER 223 N -1.52 -0.51 0.24 0.53 1.04 -1.26 -4.98 113.70 107.23 3hfu s SER 223 Ca 0.56 1.04 -0.05 0.00 0.48 0.00 0.00 55.95 57.98 3hfu s SER 223 Cb 0.47 1.14 0.37 0.00 0.10 0.00 0.00 66.02 68.11 3hfu s SER 223 CO 0.08 -0.21 1.80 0.40 0.98 0.00 0.00 173.24 176.29 3hfu h ILE 224 N 5.73 0.89 -0.92 -1.02 5.03 -1.96 -1.92 117.51 123.34 3hfu h ILE 224 Ca -0.27 -0.25 0.02 0.00 -0.12 0.00 0.00 64.86 64.24 3hfu h ILE 224 Cb 1.16 0.11 -0.05 0.00 -3.03 0.00 0.00 36.82 35.01 3hfu h ILE 224 CO 0.21 0.13 0.61 0.77 -0.68 0.00 0.00 178.15 179.18 3hfu h SER 225 N 0.72 1.04 -0.63 1.72 4.64 -1.99 -0.25 113.55 118.80 3hfu h SER 225 Ca 0.38 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.62 3hfu h SER 225 Cb 0.36 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.18 3hfu h SER 225 CO -0.25 0.74 0.16 0.00 -0.87 0.00 0.00 176.83 176.61 3hfu h ALA 226 N 1.44 0.83 -0.05 5.18 0.00 -1.79 0.85 119.26 125.72 3hfu h ALA 226 Ca 0.35 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3hfu h ALA 226 Cb -0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3hfu h ALA 226 CO -0.08 0.54 -0.02 0.28 0.00 0.00 0.00 179.25 179.97 3hfu h VAL 227 N 0.93 0.94 -0.48 0.00 2.07 -0.83 -0.79 116.25 118.09 3hfu h VAL 227 Ca 0.20 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.73 3hfu h VAL 227 Cb 0.35 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3hfu h VAL 227 CO 0.00 0.00 0.29 -0.07 0.02 0.00 0.00 177.57 177.82 3hfu h LEU 228 N -0.01 0.49 -0.47 2.57 3.38 -0.78 -1.17 115.31 119.32 3hfu h LEU 228 Ca 0.03 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.04 3hfu h LEU 228 Cb 0.05 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3hfu h LEU 228 CO -0.05 0.35 0.22 -0.08 0.09 0.00 0.00 178.44 178.97 3hfu h GLU 229 N 0.60 0.43 -0.28 1.13 4.57 -0.51 -1.53 114.58 118.99 3hfu h GLU 229 Ca 0.18 -0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 58.24 3hfu h GLU 229 Cb -0.02 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 3hfu h GLU 229 CO -0.07 0.29 -0.23 -0.07 -1.18 0.00 0.00 179.01 177.75 3hfu h LEU 230 N 0.44 0.53 -0.59 1.64 3.38 -0.77 -2.98 115.31 116.98 3hfu h LEU 230 Ca 0.21 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 3hfu h LEU 230 Cb 0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3hfu h LEU 230 CO -0.16 0.76 -0.18 0.40 0.09 0.00 0.00 178.44 179.36 3hfu h ILE 231 N 0.47 1.27 -0.60 1.22 5.03 -0.65 -2.36 117.51 121.89 3hfu h ILE 231 Ca 0.07 -1.32 -0.05 0.00 -0.12 0.00 0.00 64.86 63.44 3hfu h ILE 231 Cb 0.66 1.09 -0.03 0.00 -3.03 0.00 0.00 36.82 35.51 3hfu h ILE 231 CO 0.05 0.46 0.19 -0.09 -0.68 0.00 0.00 178.15 178.07 3hfu h ARG 232 N 0.82 0.91 -0.02 2.37 2.43 -1.15 -2.93 114.38 116.82 3hfu h ARG 232 Ca 0.12 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3hfu h ARG 232 Cb 0.73 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 3hfu h ARG 232 CO 0.06 0.79 -0.10 0.54 -1.51 0.00 0.00 179.97 179.74 3hfu n ARG 233 N -4.28 1.52 -1.60 0.20 1.74 -1.16 -4.93 116.66 108.15 3hfu n ARG 233 Ca 0.05 -0.98 0.00 0.00 -0.77 0.00 0.00 57.85 56.14 3hfu n ARG 233 Cb 0.21 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 3hfu n ARG 233 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3hfu n THR 234 N 0.12 0.00 -1.22 0.55 -2.24 -0.90 -5.04 114.28 105.55 3hfu n THR 234 Ca 0.16 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.02 3hfu n THR 234 Cb 0.40 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 68.80 3hfu n THR 234 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3hfu n SER 235 N -1.44 2.39 -4.50 3.42 7.64 -1.26 -4.78 113.62 115.08 3hfu n SER 235 Ca 0.00 -3.33 -0.26 0.00 1.01 0.00 0.00 58.87 56.29 3hfu n SER 235 Cb 0.00 -0.48 0.13 0.00 -1.01 0.00 0.00 64.21 62.85 3hfu n SER 235 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hfu s LEU 236 N -2.99 2.88 0.26 -3.43 1.43 -1.26 -4.91 118.68 110.65 3hfu s LEU 236 Ca 0.36 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.38 3hfu s LEU 236 Cb 0.32 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 3hfu s LEU 236 CO 0.01 -2.15 0.15 -0.94 0.23 0.00 0.00 176.35 173.65 3hfu s SER 237 N -4.78 0.94 0.22 2.29 1.04 -1.09 -4.60 113.70 107.72 3hfu s SER 237 Ca 0.69 -1.48 -0.11 0.00 0.48 0.00 0.00 55.95 55.53 3hfu s SER 237 Cb -0.05 0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 3hfu s SER 237 CO 0.47 -0.85 0.40 0.28 0.98 0.00 0.00 173.24 174.52 3hfu s THR 238 N -3.84 0.01 -0.27 2.02 -1.32 -1.00 -0.74 115.64 110.50 3hfu s THR 238 Ca 0.38 -1.46 -0.01 0.00 -1.21 0.00 0.00 61.69 59.39 3hfu s THR 238 Cb 0.06 -2.15 0.04 0.00 -1.51 0.00 0.00 72.50 68.94 3hfu s THR 238 CO 0.16 -0.06 -0.04 -0.76 -2.21 0.00 0.00 174.62 171.71 3hfu s LEU 239 N -3.02 3.53 0.15 9.08 1.43 -1.26 -0.90 118.68 127.69 3hfu s LEU 239 Ca 0.23 -1.08 -0.08 0.00 -1.03 0.00 0.00 54.13 52.17 3hfu s LEU 239 Cb 0.01 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 3hfu s LEU 239 CO 0.07 -0.19 0.26 -0.76 0.23 0.00 0.00 176.35 175.96 3hfu s LEU 240 N 1.28 1.07 0.39 1.79 1.43 -0.88 -4.90 118.68 118.86 3hfu s LEU 240 Ca -0.03 -0.87 -0.27 0.00 -1.03 0.00 0.00 54.13 51.93 3hfu s LEU 240 Cb -0.18 1.10 -0.11 0.00 0.03 0.00 0.00 46.19 47.04 3hfu s LEU 240 CO -0.03 -0.86 1.38 -2.65 0.23 0.00 0.00 176.35 174.42 3hfu n PRO 241 N -0.19 2.28 -0.35 1.29 -0.02 -1.26 -0.17 135.00 136.58 3hfu n PRO 241 Ca -0.08 0.81 0.06 0.00 -2.02 0.00 0.00 63.50 62.26 3hfu n PRO 241 Cb 0.63 -2.51 0.23 0.00 -0.02 0.00 0.00 33.50 31.83 3hfu n PRO 241 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hfu h ALA 242 N 2.52 1.50 -0.96 3.55 0.00 -1.81 -2.78 119.26 121.27 3hfu h ALA 242 Ca -0.49 0.00 0.24 0.00 0.00 0.00 0.00 54.91 54.66 3hfu h ALA 242 Cb 1.27 -0.24 -0.12 0.00 0.00 0.00 0.00 17.79 18.69 3hfu h ALA 242 CO 0.62 0.29 0.52 0.00 0.00 0.00 0.00 179.25 180.68 3hfu h ALA 243 N 1.51 1.65 -0.71 0.00 0.00 -1.88 -0.32 119.26 119.51 3hfu h ALA 243 Ca 0.47 0.14 0.18 0.00 0.00 0.00 0.00 54.91 55.70 3hfu h ALA 243 Cb 0.38 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3hfu h ALA 243 CO -0.22 -0.30 0.50 0.82 0.00 0.00 0.00 179.25 180.04 3hfu h ILE 244 N 0.51 0.71 0.00 0.00 2.04 -1.80 -0.50 117.51 118.46 3hfu h ILE 244 Ca 0.61 -0.06 -0.08 0.00 1.00 0.00 0.00 64.86 66.34 3hfu h ILE 244 Cb 1.17 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 3hfu h ILE 244 CO -0.50 0.03 -0.39 0.00 0.00 0.00 0.00 178.15 177.29 3hfu h ALA 245 N 1.66 1.01 0.00 1.87 0.00 -1.23 -2.76 119.26 119.80 3hfu h ALA 245 Ca 0.35 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hfu h ALA 245 Cb 1.14 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3hfu h ALA 245 CO -0.06 0.49 0.00 0.25 0.00 0.00 0.00 179.25 179.93 3hfu n THR 246 N -3.57 0.40 0.88 0.00 -2.24 -0.20 -2.40 114.28 107.15 3hfu n THR 246 Ca -0.00 0.10 0.12 0.00 -2.27 0.00 0.00 64.05 61.99 3hfu n THR 246 Cb 0.51 -0.73 0.19 0.00 -2.10 0.00 0.00 70.33 68.20 3hfu n THR 246 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hfu n GLN 247 N -1.39 0.08 -4.34 -0.78 1.13 -1.04 -4.85 117.38 106.19 3hfu n GLN 247 Ca 0.08 0.01 -0.21 0.00 -1.94 0.00 0.00 57.00 54.95 3hfu n GLN 247 Cb 0.21 -1.54 -0.16 0.00 0.11 0.00 0.00 30.24 28.86 3hfu n GLN 247 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 3hfu s HIS 248 N -3.05 0.96 0.03 1.08 3.76 -1.01 -5.06 115.29 111.99 3hfu s HIS 248 Ca 0.09 -0.28 -0.26 0.00 -0.15 0.00 0.00 55.06 54.47 3hfu s HIS 248 Cb 0.16 -0.74 -0.17 0.00 1.11 0.00 0.00 32.58 32.95 3hfu s HIS 248 CO 0.72 -0.16 1.39 -0.44 -0.85 0.00 0.00 174.74 175.40 3hfu h ASP 249 N 6.78 -0.24 0.17 1.40 3.32 -1.89 -3.05 116.42 122.91 3hfu h ASP 249 Ca -0.35 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.52 3hfu h ASP 249 Cb 1.17 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3hfu h ASP 249 CO 0.48 0.05 0.00 0.61 -1.72 0.00 0.00 179.24 178.66 3hfu n GLY 250 N -0.49 -0.64 3.74 2.75 0.00 -1.26 -4.68 105.19 104.61 3hfu n GLY 250 Ca -0.09 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 3hfu n GLY 250 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hfu s LEU 251 N -2.90 3.73 -0.03 0.99 1.43 -1.15 -1.46 118.68 119.29 3hfu s LEU 251 Ca 0.03 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 3hfu s LEU 251 Cb 0.04 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 44.07 3hfu s LEU 251 CO 0.10 0.26 -0.06 -0.75 0.23 0.00 0.00 176.35 176.13 3hfu s LYS 252 N -1.77 0.75 -0.26 1.70 2.47 0.90 -4.79 119.74 118.75 3hfu s LYS 252 Ca 0.22 -0.16 -0.12 0.00 -1.56 0.00 0.00 55.97 54.35 3hfu s LYS 252 Cb -0.12 -0.74 -0.05 0.00 -1.46 0.00 0.00 37.83 35.47 3hfu s LYS 252 CO 0.14 0.01 0.25 0.00 0.16 0.00 0.00 175.35 175.91 3hfu s ALA 253 N 0.52 3.56 -0.25 3.13 0.00 -1.26 -0.90 121.76 126.55 3hfu s ALA 253 Ca -0.07 -0.92 -0.09 0.00 0.00 0.00 0.00 51.96 50.88 3hfu s ALA 253 Cb -0.10 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 3hfu s ALA 253 CO 0.00 -0.48 0.13 0.42 0.00 0.00 0.00 175.76 175.84 3hfu s ILE 254 N 1.65 4.94 0.30 0.00 1.01 0.15 -4.91 121.20 124.34 3hfu s ILE 254 Ca 0.10 0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.50 3hfu s ILE 254 Cb -0.15 -3.32 -0.10 0.00 0.01 0.00 0.00 42.46 38.90 3hfu s ILE 254 CO 0.09 0.32 1.32 -0.44 0.00 0.00 0.00 174.94 176.23 3hfu s SER 255 N 1.44 6.79 -0.20 3.58 0.01 0.16 -1.19 113.70 124.29 3hfu s SER 255 Ca 0.06 2.64 -0.11 0.00 1.31 0.00 0.00 55.95 59.85 3hfu s SER 255 Cb -0.15 -2.64 -0.05 0.00 0.21 0.00 0.00 66.02 63.39 3hfu s SER 255 CO 0.06 -0.54 0.19 -0.76 0.41 0.00 0.00 173.24 172.60 3hfu s LEU 256 N -1.38 4.20 -0.23 2.44 1.43 -1.26 0.36 118.68 124.24 3hfu s LEU 256 Ca 0.51 0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.92 3hfu s LEU 256 Cb -0.39 -2.18 0.05 0.00 0.03 0.00 0.00 46.19 43.70 3hfu s LEU 256 CO 0.49 0.13 -0.10 0.00 0.23 0.00 0.00 176.35 177.10 3hfu s ALA 257 N 0.55 2.24 0.93 4.21 0.00 0.46 -2.48 121.76 127.66 3hfu s ALA 257 Ca 0.10 -1.46 -0.13 0.00 0.00 0.00 0.00 51.96 50.47 3hfu s ALA 257 Cb -0.12 -1.43 0.15 0.00 0.00 0.00 0.00 23.12 21.72 3hfu s ALA 257 CO 0.01 -1.02 1.16 -1.25 0.00 0.00 0.00 175.76 174.66 3hfu s PRO 258 N 1.27 1.00 0.42 0.00 0.04 -1.26 -0.70 135.00 135.76 3hfu s PRO 258 Ca -0.05 0.17 -0.26 0.00 0.04 0.00 0.00 61.00 60.91 3hfu s PRO 258 Cb -0.18 -1.83 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 3hfu s PRO 258 CO -0.07 -2.27 1.30 -2.14 0.04 0.00 0.00 177.00 173.86 3hfu s PRO 259 N -5.38 3.90 -0.15 0.56 0.02 -1.03 -4.54 135.00 128.38 3hfu s PRO 259 Ca 0.65 2.14 -0.26 0.00 0.02 0.00 0.00 61.00 63.55 3hfu s PRO 259 Cb -0.13 -2.71 -0.25 0.00 0.02 0.00 0.00 34.50 31.44 3hfu s PRO 259 CO 0.53 -0.54 0.65 1.25 -0.33 0.00 0.00 177.00 178.56 3hfu h LEU 260 N 2.56 0.05 -7.29 -5.54 5.85 -1.84 -3.48 115.31 105.63 3hfu h LEU 260 Ca -0.50 -0.88 -0.12 0.00 0.84 0.00 0.00 57.88 57.22 3hfu h LEU 260 Cb 1.25 -0.02 -0.25 0.00 0.37 0.00 0.00 40.66 42.02 3hfu h LEU 260 CO 0.62 1.16 -0.25 -0.22 -0.34 0.00 0.00 178.44 179.41 3hfu s LEU 261 N -8.09 0.29 -0.09 2.25 2.96 -1.26 -4.89 118.68 109.85 3hfu s LEU 261 Ca -0.21 0.85 -0.01 0.00 -0.22 0.00 0.00 54.13 54.54 3hfu s LEU 261 Cb -0.01 1.40 0.03 0.00 0.50 0.00 0.00 46.19 48.11 3hfu s LEU 261 CO 0.68 -0.16 -0.01 -1.61 -1.32 0.00 0.00 176.35 173.94 3hfu s GLU 262 N 0.52 0.78 0.13 1.98 2.02 -1.26 -1.60 118.70 121.27 3hfu s GLU 262 Ca -0.02 0.01 0.08 0.00 0.02 0.00 0.00 54.97 55.06 3hfu s GLU 262 Cb -0.04 -1.15 -0.04 0.00 0.10 0.00 0.00 34.13 33.00 3hfu s GLU 262 CO -0.03 -0.32 -0.13 1.03 0.02 0.00 0.00 175.26 175.83 3hfu s ARG 263 N 1.92 1.96 -0.43 1.61 0.52 -0.47 -4.97 118.95 119.08 3hfu s ARG 263 Ca 0.05 -1.16 -0.16 0.00 -0.52 0.00 0.00 55.73 53.94 3hfu s ARG 263 Cb -0.13 -2.18 0.04 0.00 0.52 0.00 0.00 34.95 33.20 3hfu s ARG 263 CO -0.06 0.48 0.36 0.99 0.02 0.00 0.00 175.30 177.09 3hfu s THR 264 N -1.32 5.22 0.38 0.02 2.01 -1.26 -0.84 115.64 119.85 3hfu s THR 264 Ca 0.21 -0.75 -0.26 0.00 0.31 0.00 0.00 61.69 61.20 3hfu s THR 264 Cb -0.10 -4.02 -0.09 0.00 0.01 0.00 0.00 72.50 68.30 3hfu s THR 264 CO 0.13 -0.43 1.24 0.00 -0.69 0.00 0.00 174.62 174.87 3hfu s ALA 265 N 1.76 3.27 0.02 7.40 0.00 0.18 -1.75 121.76 132.63 3hfu s ALA 265 Ca 0.06 1.12 -0.02 0.00 0.00 0.00 0.00 51.96 53.12 3hfu s ALA 265 Cb -0.20 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.46 3hfu s ALA 265 CO 0.09 -0.65 0.01 0.54 0.00 0.00 0.00 175.76 175.76 3hfu s VAL 266 N -1.29 0.12 -0.14 0.00 0.11 0.29 -0.60 120.40 118.89 3hfu s VAL 266 Ca 0.55 -0.98 -0.14 0.00 -2.93 0.00 0.00 61.98 58.48 3hfu s VAL 266 Cb -0.35 -0.48 -0.05 0.00 -1.53 0.00 0.00 36.38 33.97 3hfu s VAL 266 CO 0.45 -0.54 0.31 -0.76 -3.33 0.00 0.00 175.10 171.23 3hfu s LEU 267 N -1.66 4.28 -0.06 2.54 1.43 -0.22 -1.00 118.68 124.00 3hfu s LEU 267 Ca -0.12 0.58 0.02 0.00 -1.03 0.00 0.00 54.13 53.57 3hfu s LEU 267 Cb -0.07 -2.40 -0.03 0.00 0.03 0.00 0.00 46.19 43.72 3hfu s LEU 267 CO -0.02 0.14 -0.08 -0.76 0.23 0.00 0.00 176.35 175.86 3hfu s LEU 268 N 0.20 3.09 -0.04 1.79 1.43 0.19 -1.90 118.68 123.43 3hfu s LEU 268 Ca 0.18 -0.07 -0.23 0.00 -1.03 0.00 0.00 54.13 52.98 3hfu s LEU 268 Cb -0.13 -1.68 0.05 0.00 0.03 0.00 0.00 46.19 44.45 3hfu s LEU 268 CO 0.05 0.35 0.51 0.00 0.23 0.00 0.00 176.35 177.49 3hfu s ARG 269 N -0.87 0.86 0.01 1.70 1.70 -1.09 -1.74 118.95 119.52 3hfu s ARG 269 Ca 0.13 0.08 -0.30 0.00 -0.47 0.00 0.00 55.73 55.17 3hfu s ARG 269 Cb -0.11 0.40 -0.04 0.00 -0.57 0.00 0.00 34.95 34.63 3hfu s ARG 269 CO 0.02 -0.25 1.12 0.50 -1.08 0.00 0.00 175.30 175.60 3hfu s ARG 270 N -1.18 4.46 1.04 3.89 3.52 -1.26 0.59 118.95 130.01 3hfu s ARG 270 Ca -0.12 1.62 -0.13 0.00 -0.13 0.00 0.00 55.73 56.97 3hfu s ARG 270 Cb -0.03 -3.43 0.21 0.00 -1.56 0.00 0.00 34.95 30.15 3hfu s ARG 270 CO 0.07 -0.23 1.08 0.15 -0.81 0.00 0.00 175.30 175.56 3hfu s LYS 271 N 1.30 0.07 -1.72 5.12 1.02 0.42 -3.61 119.74 122.34 3hfu s LYS 271 Ca 0.55 0.55 -0.14 0.00 0.02 0.00 0.00 55.97 56.96 3hfu s LYS 271 Cb -0.25 -1.69 0.14 0.00 -0.52 0.00 0.00 37.83 35.50 3hfu s LYS 271 CO 0.27 -2.98 0.43 0.09 -0.92 0.00 0.00 175.35 172.23 3hfu n ASN 272 N -4.36 -1.07 -3.67 2.83 3.02 -1.26 -4.90 115.26 105.85 3hfu n ASN 272 Ca 0.05 -1.21 -0.18 0.00 -0.03 0.00 0.00 54.58 53.21 3hfu n ASN 272 Cb 0.57 -1.87 -0.16 0.00 -0.61 0.00 0.00 39.78 37.70 3hfu n ASN 272 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3hfu s SER 273 N -3.69 0.86 -0.11 6.41 0.15 -1.24 -5.13 113.70 110.96 3hfu s SER 273 Ca 0.51 0.25 -0.29 0.00 0.70 0.00 0.00 55.95 57.12 3hfu s SER 273 Cb -0.29 0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.14 3hfu s SER 273 CO 1.00 -0.25 0.96 0.26 1.20 0.00 0.00 173.24 176.41 3hfu s TRP 274 N 2.24 3.51 0.44 3.44 0.23 -1.26 -4.92 118.94 122.62 3hfu s TRP 274 Ca 0.04 1.53 -0.14 0.00 -2.03 0.00 0.00 56.10 55.50 3hfu s TRP 274 Cb -0.12 -3.13 -0.07 0.00 0.03 0.00 0.00 33.47 30.17 3hfu s TRP 274 CO -0.05 -0.19 0.86 -0.65 0.96 0.00 0.00 176.95 177.88 3hfu s GLN 275 N 1.89 3.89 0.81 4.98 -0.21 -1.26 -5.08 119.66 124.68 3hfu s GLN 275 Ca 0.46 0.71 -0.12 0.00 0.02 0.00 0.00 55.36 56.43 3hfu s GLN 275 Cb -0.18 -2.29 0.08 0.00 1.00 0.00 0.00 33.01 31.62 3hfu s GLN 275 CO 0.18 -0.11 1.12 0.95 -2.12 0.00 0.00 175.29 175.30 3hfu s THR 276 N -2.43 2.76 0.36 -0.19 -4.23 -1.26 -4.85 115.64 105.81 3hfu s THR 276 Ca 0.55 0.25 0.04 0.00 -1.18 0.00 0.00 61.69 61.34 3hfu s THR 276 Cb -0.10 -3.07 0.25 0.00 1.34 0.00 0.00 72.50 70.92 3hfu s THR 276 CO 0.29 -0.32 2.01 0.00 -0.54 0.00 0.00 174.62 176.06 3hfu h ALA 277 N -1.11 1.57 0.13 3.99 0.00 -1.98 -1.53 119.26 120.34 3hfu h ALA 277 Ca -0.47 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 3hfu h ALA 277 Cb 1.29 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3hfu h ALA 277 CO 0.61 0.38 -0.06 0.00 0.00 0.00 0.00 179.25 180.19 3hfu h ALA 278 N 1.63 -0.18 -0.96 0.00 0.00 -1.91 0.01 119.26 117.84 3hfu h ALA 278 Ca 0.20 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.09 3hfu h ALA 278 Cb -0.04 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3hfu h ALA 278 CO -0.04 -0.57 0.62 0.00 0.00 0.00 0.00 179.25 179.26 3hfu h ALA 279 N 0.63 1.30 -0.18 0.00 0.00 -1.75 0.30 119.26 119.57 3hfu h ALA 279 Ca -0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3hfu h ALA 279 Cb 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3hfu h ALA 279 CO 0.03 0.47 -0.04 0.87 0.00 0.00 0.00 179.25 180.57 3hfu h LYS 280 N 1.18 0.35 -0.39 0.00 1.57 -1.02 -1.50 116.57 116.75 3hfu h LYS 280 Ca 0.40 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 59.00 3hfu h LYS 280 Cb 0.07 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3hfu h LYS 280 CO -0.14 0.61 0.08 0.00 -0.57 0.00 0.00 179.45 179.43 3hfu h ALA 281 N 0.73 1.41 0.28 3.86 0.00 -0.67 -1.84 119.26 123.03 3hfu h ALA 281 Ca 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3hfu h ALA 281 Cb 0.49 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3hfu h ALA 281 CO 0.02 0.43 -0.14 0.35 0.00 0.00 0.00 179.25 179.91 3hfu h PHE 282 N 0.57 -0.35 -0.29 0.00 3.57 -0.74 -3.09 116.94 116.61 3hfu h PHE 282 Ca 0.13 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.68 3hfu h PHE 282 Cb 0.25 0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.05 3hfu h PHE 282 CO 0.01 -0.11 -0.09 -0.07 -2.23 0.00 0.00 178.31 175.82 3hfu h LEU 283 N -0.54 -0.32 -0.95 0.59 3.38 -1.03 -0.12 115.31 116.33 3hfu h LEU 283 Ca -0.04 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3hfu h LEU 283 Cb 0.40 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3hfu h LEU 283 CO 0.06 -0.12 0.00 1.41 0.09 0.00 0.00 178.44 179.89 3hfu n HIS 284 N -5.26 0.00 0.00 1.13 8.25 -0.71 -1.33 115.22 117.29 3hfu n HIS 284 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3hfu n HIS 284 Cb 0.18 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.29 3hfu n HIS 284 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hfu n ALA 286 N 0.32 0.00 -0.10 -1.41 0.00 -0.06 -0.52 120.51 118.74 3hfu n ALA 286 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3hfu n ALA 286 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 3hfu n ALA 286 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3hfu h LEU 287 N 0.00 0.81 -1.75 0.00 3.38 -1.46 -2.76 115.31 113.52 3hfu h LEU 287 Ca 0.00 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 3hfu h LEU 287 Cb 0.00 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3hfu h LEU 287 CO 0.00 1.00 -0.16 0.44 0.09 0.00 0.00 178.44 179.81 3hfu h ASP 288 N 0.70 0.00 1.29 -0.43 3.32 -1.07 -2.38 116.42 117.86 3hfu h ASP 288 Ca 0.10 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 3hfu h ASP 288 Cb 0.71 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 3hfu h ASP 288 CO 0.05 0.16 -0.53 0.50 -1.72 0.00 0.00 179.24 177.70 3hfu h LYS 289 N 0.00 0.00 -0.33 3.56 3.64 -1.75 -3.12 116.57 118.56 3hfu h LYS 289 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hfu h LYS 289 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3hfu h LYS 289 CO 0.02 0.53 0.00 0.00 -2.27 0.00 0.00 179.45 177.73 3hfu s ALA 291 N -1.56 3.83 0.00 0.00 0.00 -1.13 -4.99 121.76 117.91 3hfu s ALA 291 Ca 0.33 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.74 3hfu s ALA 291 Cb 0.18 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 21.21 3hfu s ALA 291 CO 0.25 0.63 0.33 1.55 0.00 0.00 0.00 175.76 178.51