#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i69 n THR 88 N 0.00 1.87 -0.79 6.31 -2.24 -1.26 -4.64 114.28 113.53 1i69 n THR 88 Ca 0.00 -0.50 -0.44 0.00 -2.27 0.00 0.00 64.05 60.84 1i69 n THR 88 Cb 0.00 -0.20 -0.09 0.00 -2.10 0.00 0.00 70.33 67.94 1i69 n THR 88 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1i69 n MET 89 N 0.96 0.69 -3.84 -0.78 2.81 -1.26 -4.76 117.12 110.93 1i69 n MET 89 Ca 0.16 -1.38 -0.12 0.00 -1.81 0.00 0.00 57.70 54.55 1i69 n MET 89 Cb 0.28 -2.68 -0.11 0.00 -0.71 0.00 0.00 33.22 30.00 1i69 n MET 89 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1i69 s SER 90 N 6.07 -0.07 0.00 7.83 0.15 -1.26 -3.69 113.70 122.73 1i69 s SER 90 Ca 0.63 0.07 0.00 0.00 0.70 0.00 0.00 55.95 57.35 1i69 s SER 90 Cb 0.15 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1i69 s SER 90 CO 0.24 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.09 1i69 n GLY 91 N 2.28 1.77 3.71 9.45 0.00 0.11 -4.92 105.19 117.59 1i69 n GLY 91 Ca -0.17 -2.12 -0.42 0.00 0.00 0.00 0.00 46.02 43.31 1i69 n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i69 s PRO 92 N -1.80 4.30 -0.15 1.61 0.04 -1.26 -0.92 135.00 136.82 1i69 s PRO 92 Ca 0.00 2.10 0.01 0.00 0.04 0.00 0.00 61.00 63.15 1i69 s PRO 92 Cb 0.00 -3.28 0.02 0.00 0.04 0.00 0.00 34.50 31.28 1i69 s PRO 92 CO 0.00 -0.48 -0.17 -1.17 0.04 0.00 0.00 177.00 175.23 1i69 s LEU 93 N 1.28 1.86 -0.43 -3.56 2.96 0.16 -4.90 118.68 116.05 1i69 s LEU 93 Ca 0.65 -0.54 -0.11 0.00 -0.22 0.00 0.00 54.13 53.91 1i69 s LEU 93 Cb -0.37 -1.28 0.07 0.00 0.50 0.00 0.00 46.19 45.11 1i69 s LEU 93 CO 0.30 -0.02 0.30 -1.00 -1.32 0.00 0.00 176.35 174.61 1i69 s HIS 94 N 1.33 3.30 -0.07 5.38 3.76 -1.26 -1.58 115.29 126.15 1i69 s HIS 94 Ca 0.03 -1.27 0.01 0.00 -0.15 0.00 0.00 55.06 53.68 1i69 s HIS 94 Cb -0.13 -2.98 -0.03 0.00 1.11 0.00 0.00 32.58 30.55 1i69 s HIS 94 CO -0.10 -0.81 -0.10 0.42 -0.85 0.00 0.00 174.74 173.30 1i69 s ILE 95 N 1.51 3.45 -0.07 0.60 1.01 -0.57 -1.09 121.20 126.04 1i69 s ILE 95 Ca 0.03 -0.57 0.05 0.00 0.00 0.00 0.00 60.65 60.16 1i69 s ILE 95 Cb -0.23 -2.40 -0.01 0.00 0.01 0.00 0.00 42.46 39.83 1i69 s ILE 95 CO 0.04 0.58 -0.21 -0.83 0.00 0.00 0.00 174.94 174.53 1i69 s GLY 96 N -0.62 1.38 0.13 6.18 0.00 -0.85 -0.60 107.32 112.94 1i69 s GLY 96 Ca 0.09 -1.01 0.10 0.00 0.00 0.00 0.00 44.72 43.90 1i69 s GLY 96 CO 0.02 -0.60 -0.25 1.08 0.00 0.00 0.00 173.10 173.35 1i69 s LEU 97 N -0.19 2.33 0.34 0.66 2.01 -0.88 -0.44 118.68 122.51 1i69 s LEU 97 Ca -0.02 -0.75 -0.19 0.00 0.01 0.00 0.00 54.13 53.18 1i69 s LEU 97 Cb -0.13 -1.10 -0.10 0.00 0.01 0.00 0.00 46.19 44.87 1i69 s LEU 97 CO 0.03 0.13 0.84 0.27 1.01 0.00 0.00 176.35 178.63 1i69 s ILE 98 N -1.18 4.50 0.49 -0.59 -4.36 -1.18 -3.14 121.20 115.74 1i69 s ILE 98 Ca 0.12 1.31 0.37 0.00 -0.26 0.00 0.00 60.65 62.19 1i69 s ILE 98 Cb -0.10 -3.70 0.57 0.00 1.25 0.00 0.00 42.46 40.49 1i69 s ILE 98 CO 0.06 -0.13 1.65 -0.65 0.24 0.00 0.00 174.94 176.11 1i69 h PRO 99 N 2.44 0.06 -0.09 0.37 0.11 -1.95 0.30 132.00 133.24 1i69 h PRO 99 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1i69 h PRO 99 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1i69 h PRO 99 CO 0.64 0.04 0.00 0.25 -0.21 0.00 0.00 178.00 178.72 1i69 n THR 100 N -4.36 0.11 0.04 -1.15 -2.24 -1.26 -4.40 114.28 101.02 1i69 n THR 100 Ca 0.37 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 1i69 n THR 100 Cb 1.56 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.95 1i69 n THR 100 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1i69 n VAL 101 N -0.06 0.45 -0.21 2.28 0.31 0.94 -4.84 118.33 117.20 1i69 n VAL 101 Ca 0.16 0.15 -0.05 0.00 -0.01 0.00 0.00 64.34 64.59 1i69 n VAL 101 Cb 0.25 -1.27 -0.05 0.00 -0.91 0.00 0.00 33.84 31.86 1i69 n VAL 101 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1i69 n GLY 102 N 2.79 -2.73 0.33 2.92 0.00 -0.55 -0.70 105.19 107.24 1i69 n GLY 102 Ca 0.00 0.86 0.21 0.00 0.00 0.00 0.00 46.02 47.09 1i69 n GLY 102 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i69 h PRO 103 N 0.00 0.00 0.00 1.61 0.13 -1.85 -0.77 132.00 131.12 1i69 h PRO 103 Ca 0.08 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.09 1i69 h PRO 103 Cb 0.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.31 1i69 h PRO 103 CO -0.47 0.00 -2.08 0.66 -0.23 0.00 0.00 178.00 175.89 1i69 n TYR 104 N -3.31 0.06 -0.07 1.56 4.02 -0.57 -4.59 117.16 114.26 1i69 n TYR 104 Ca -0.03 0.02 -0.22 0.00 -0.01 0.00 0.00 57.90 57.66 1i69 n TYR 104 Cb 0.08 -0.69 -0.12 0.00 -0.02 0.00 0.00 39.34 38.58 1i69 n TYR 104 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1i69 n LEU 105 N -2.45 2.32 -0.25 7.72 7.94 0.12 -4.61 117.00 127.79 1i69 n LEU 105 Ca -0.13 0.26 -0.01 0.00 -1.11 0.00 0.00 56.01 55.02 1i69 n LEU 105 Cb 0.77 -1.00 0.06 0.00 0.53 0.00 0.00 43.42 43.77 1i69 n LEU 105 CO 0.45 0.63 0.67 -0.07 -1.11 0.00 0.00 177.39 177.95 1i69 h LEU 106 N -0.45 -0.93 -1.79 -1.96 3.38 -1.34 -0.19 115.31 112.02 1i69 h LEU 106 Ca -0.45 0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1i69 h LEU 106 Cb 1.71 0.53 0.00 0.00 0.09 0.00 0.00 40.66 42.99 1i69 h LEU 106 CO -0.11 -0.27 0.08 1.55 0.09 0.00 0.00 178.44 179.78 1i69 h PRO 107 N -0.06 0.00 0.04 1.13 0.13 -1.81 0.47 132.00 131.89 1i69 h PRO 107 Ca 0.32 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 65.14 1i69 h PRO 107 Cb 0.56 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.65 1i69 h PRO 107 CO -0.77 0.00 -1.71 0.45 -0.23 0.00 0.00 178.00 175.75 1i69 h HIS 108 N 0.00 0.15 0.00 1.56 3.86 -1.30 -3.42 115.15 116.00 1i69 h HIS 108 Ca 0.00 -0.11 -0.04 0.00 -1.16 0.00 0.00 60.37 59.06 1i69 h HIS 108 Cb 0.16 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 1i69 h HIS 108 CO 0.00 1.21 -1.51 0.44 0.86 0.00 0.00 177.93 178.92 1i69 n ILE 109 N -3.20 0.14 0.11 2.45 -5.35 -0.84 -4.65 119.36 108.02 1i69 n ILE 109 Ca -0.19 -0.27 -0.13 0.00 -0.27 0.00 0.00 62.75 61.88 1i69 n ILE 109 Cb 1.04 0.05 -0.08 0.00 -1.74 0.00 0.00 39.64 38.91 1i69 n ILE 109 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 1i69 h ILE 110 N 0.00 0.88 -0.82 7.28 1.08 -1.18 -0.58 117.51 124.18 1i69 h ILE 110 Ca -0.06 -0.19 0.05 0.00 -0.39 0.00 0.00 64.86 64.27 1i69 h ILE 110 Cb 0.71 1.01 -0.06 0.00 -3.07 0.00 0.00 36.82 35.41 1i69 h ILE 110 CO 0.00 0.05 0.51 1.55 -0.69 0.00 0.00 178.15 179.56 1i69 h PRO 111 N -0.31 0.91 -0.41 2.37 0.13 -1.82 -1.49 132.00 131.38 1i69 h PRO 111 Ca -0.02 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1i69 h PRO 111 Cb 0.24 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 31.15 1i69 h PRO 111 CO 0.04 0.60 0.25 1.98 -0.23 0.00 0.00 178.00 180.64 1i69 h MET 112 N 0.94 0.55 -0.31 0.86 1.85 -1.79 -2.67 114.93 114.35 1i69 h MET 112 Ca 0.35 -0.04 -0.06 0.00 -0.61 0.00 0.00 59.70 59.34 1i69 h MET 112 Cb 0.14 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 32.03 1i69 h MET 112 CO -0.16 0.39 -0.08 -0.07 -0.40 0.00 0.00 176.91 176.59 1i69 h LEU 113 N 0.54 0.48 -0.50 3.39 3.38 -0.61 -2.92 115.31 119.08 1i69 h LEU 113 Ca 0.15 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1i69 h LEU 113 Cb -0.02 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1i69 h LEU 113 CO -0.03 0.61 0.02 -0.74 0.09 0.00 0.00 178.44 178.39 1i69 h HIS 114 N 0.48 0.94 -0.64 1.13 2.76 -1.06 -0.93 115.15 117.82 1i69 h HIS 114 Ca 0.09 -0.15 -0.41 0.00 -2.20 0.00 0.00 60.37 57.69 1i69 h HIS 114 Cb 0.43 -0.25 -0.19 0.00 1.55 0.00 0.00 27.41 28.96 1i69 h HIS 114 CO 0.01 0.87 0.54 0.00 -1.30 0.00 0.00 177.93 178.05 1i69 n GLN 115 N -4.35 2.03 0.00 5.26 10.64 -1.03 -2.38 117.38 127.55 1i69 n GLN 115 Ca 0.01 -2.07 0.00 0.00 -1.83 0.00 0.00 57.00 53.11 1i69 n GLN 115 Cb 0.30 -1.81 0.00 0.00 -0.86 0.00 0.00 30.24 27.87 1i69 n GLN 115 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1i69 n THR 116 N -0.14 0.00 -2.92 -0.39 -1.04 -1.09 -4.91 114.28 103.79 1i69 n THR 116 Ca 0.40 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.28 1i69 n THR 116 Cb 0.72 0.24 0.04 0.00 -1.82 0.00 0.00 70.33 69.51 1i69 n THR 116 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1i69 n PHE 117 N 0.00 -1.25 0.12 -1.42 3.01 -0.37 -5.00 117.46 112.55 1i69 n PHE 117 Ca 0.00 -2.90 0.20 0.00 1.01 0.00 0.00 57.45 55.76 1i69 n PHE 117 Cb 0.00 0.61 0.73 0.00 -0.01 0.00 0.00 39.48 40.80 1i69 n PHE 117 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1i69 h PRO 118 N 2.93 0.00 -0.65 -1.08 0.13 -1.69 0.16 132.00 131.80 1i69 h PRO 118 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1i69 h PRO 118 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1i69 h PRO 118 CO 0.30 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.70 1i69 n LYS 119 N -3.51 3.19 -3.31 0.86 5.02 -1.26 -4.84 118.16 114.32 1i69 n LYS 119 Ca 0.06 -2.02 -0.41 0.00 -2.02 0.00 0.00 58.31 53.92 1i69 n LYS 119 Cb 0.64 -1.83 -0.08 0.00 -0.02 0.00 0.00 35.03 33.73 1i69 n LYS 119 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1i69 s LEU 120 N -1.60 4.46 -0.73 -0.35 2.96 0.57 0.07 118.68 124.05 1i69 s LEU 120 Ca 0.36 -0.20 -0.20 0.00 -0.22 0.00 0.00 54.13 53.86 1i69 s LEU 120 Cb 0.25 -2.47 0.10 0.00 0.50 0.00 0.00 46.19 44.57 1i69 s LEU 120 CO 0.14 -0.45 0.96 -1.61 -1.32 0.00 0.00 176.35 174.07 1i69 s GLU 121 N 2.23 3.25 0.48 1.98 2.02 -0.10 -4.93 118.70 123.63 1i69 s GLU 121 Ca 0.15 -1.25 -0.22 0.00 0.02 0.00 0.00 54.97 53.68 1i69 s GLU 121 Cb -0.16 -4.45 -0.07 0.00 0.10 0.00 0.00 34.13 29.55 1i69 s GLU 121 CO 0.13 -1.74 1.12 1.41 0.02 0.00 0.00 175.26 176.20 1i69 s MET 122 N 3.29 3.70 -0.29 1.61 1.75 -1.26 0.41 119.30 128.50 1i69 s MET 122 Ca 0.23 1.64 0.01 0.00 -1.25 0.00 0.00 55.69 56.31 1i69 s MET 122 Cb -0.15 -2.26 0.15 0.00 2.84 0.00 0.00 34.83 35.41 1i69 s MET 122 CO 0.03 -0.57 0.35 0.71 -0.65 0.00 0.00 175.02 174.89 1i69 s TYR 123 N -1.68 -0.74 -0.22 4.11 1.51 -0.61 -4.85 117.35 114.86 1i69 s TYR 123 Ca 0.66 0.13 -0.20 0.00 -1.01 0.00 0.00 57.07 56.65 1i69 s TYR 123 Cb -0.25 -0.29 -0.03 0.00 -0.11 0.00 0.00 41.96 41.29 1i69 s TYR 123 CO 0.29 -0.94 0.60 -0.51 -1.11 0.00 0.00 175.55 173.88 1i69 s LEU 124 N 2.46 4.11 0.30 -1.29 1.43 -1.26 -1.51 118.68 122.92 1i69 s LEU 124 Ca 0.10 0.74 0.09 0.00 -1.03 0.00 0.00 54.13 54.02 1i69 s LEU 124 Cb -0.13 -2.82 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 1i69 s LEU 124 CO -0.30 -0.28 0.09 -1.00 0.23 0.00 0.00 176.35 175.08 1i69 s HIS 125 N 2.04 2.74 -0.10 0.29 3.76 0.23 -5.00 115.29 119.25 1i69 s HIS 125 Ca 0.26 -0.29 -0.05 0.00 -0.15 0.00 0.00 55.06 54.84 1i69 s HIS 125 Cb -0.16 -1.43 0.05 0.00 1.11 0.00 0.00 32.58 32.15 1i69 s HIS 125 CO 0.10 0.48 0.23 -2.00 -0.85 0.00 0.00 174.74 172.69 1i69 s GLU 126 N -3.77 0.16 0.31 1.40 2.12 -1.26 -2.08 118.70 115.58 1i69 s GLU 126 Ca 0.35 0.57 -0.18 0.00 0.36 0.00 0.00 54.97 56.06 1i69 s GLU 126 Cb -0.05 -0.12 0.07 0.00 0.26 0.00 0.00 34.13 34.29 1i69 s GLU 126 CO 0.22 -0.21 0.90 0.00 -0.54 0.00 0.00 175.26 175.63 1i69 s ALA 127 N 1.65 -1.05 0.80 6.30 0.00 -1.19 -4.99 121.76 123.28 1i69 s ALA 127 Ca -0.05 -0.64 -0.12 0.00 0.00 0.00 0.00 51.96 51.15 1i69 s ALA 127 Cb -0.11 0.71 0.07 0.00 0.00 0.00 0.00 23.12 23.79 1i69 s ALA 127 CO -0.08 -1.02 1.13 -0.65 0.00 0.00 0.00 175.76 175.15 1i69 s GLN 128 N -2.09 2.07 0.18 0.00 -1.52 -1.26 -3.92 119.66 113.13 1i69 s GLN 128 Ca 0.19 0.35 -0.13 0.00 -1.95 0.00 0.00 55.36 53.82 1i69 s GLN 128 Cb -0.04 -1.94 0.13 0.00 -0.22 0.00 0.00 33.01 30.94 1i69 s GLN 128 CO 0.09 -1.57 1.79 1.15 -0.25 0.00 0.00 175.29 176.51 1i69 h THR 129 N -1.04 0.98 -0.24 -0.19 2.02 -1.98 0.11 112.91 112.58 1i69 h THR 129 Ca -0.47 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 66.54 1i69 h THR 129 Cb 1.30 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 1i69 h THR 129 CO 0.63 0.10 0.13 1.12 0.37 0.00 0.00 175.52 177.87 1i69 h HIS 130 N 0.54 0.25 0.54 3.16 2.07 -1.94 -0.24 115.15 119.53 1i69 h HIS 130 Ca 0.22 0.01 -0.02 0.00 -2.85 0.00 0.00 60.37 57.73 1i69 h HIS 130 Cb 0.10 -0.08 -0.02 0.00 2.57 0.00 0.00 27.41 29.99 1i69 h HIS 130 CO -0.09 0.15 -0.47 1.96 -3.07 0.00 0.00 177.93 176.41 1i69 h GLN 131 N 0.28 -0.96 -0.77 5.12 1.08 -1.79 0.64 115.11 118.71 1i69 h GLN 131 Ca 0.09 0.07 0.08 0.00 -1.45 0.00 0.00 58.65 57.44 1i69 h GLN 131 Cb 0.00 0.22 -0.05 0.00 -0.05 0.00 0.00 27.48 27.60 1i69 h GLN 131 CO -0.05 -0.64 0.50 -0.07 -0.95 0.00 0.00 178.83 177.62 1i69 h LEU 132 N -1.00 0.68 -0.42 1.46 3.38 -0.74 -1.21 115.31 117.47 1i69 h LEU 132 Ca -0.06 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 1i69 h LEU 132 Cb 0.86 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1i69 h LEU 132 CO -0.02 0.43 -0.19 -0.07 0.09 0.00 0.00 178.44 178.68 1i69 h LEU 133 N 0.77 0.88 0.03 1.67 4.07 -0.64 -1.43 115.31 120.67 1i69 h LEU 133 Ca 0.34 -0.40 -0.00 0.00 0.08 0.00 0.00 57.88 57.90 1i69 h LEU 133 Cb 0.32 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 41.82 1i69 h LEU 133 CO -0.12 1.09 -0.02 0.00 -1.08 0.00 0.00 178.44 178.31 1i69 h ALA 134 N 0.83 -0.05 -0.53 1.53 0.00 -0.09 -2.32 119.26 118.63 1i69 h ALA 134 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1i69 h ALA 134 Cb 0.75 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1i69 h ALA 134 CO 0.06 -0.47 0.34 1.96 0.00 0.00 0.00 179.25 181.14 1i69 h GLN 135 N -0.16 0.70 -0.65 0.00 4.20 -1.21 -1.45 115.11 116.54 1i69 h GLN 135 Ca -0.00 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1i69 h GLN 135 Cb 0.15 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 1i69 h GLN 135 CO 0.01 0.47 0.31 1.25 -0.67 0.00 0.00 178.83 180.20 1i69 h LEU 136 N 0.71 0.84 -0.76 1.46 5.85 -1.01 -1.76 115.31 120.66 1i69 h LEU 136 Ca 0.19 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1i69 h LEU 136 Cb -0.07 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 1i69 h LEU 136 CO -0.04 0.74 0.27 -0.78 -0.34 0.00 0.00 178.44 178.29 1i69 h ASP 137 N 0.89 1.07 0.75 1.25 3.58 -0.77 -2.60 116.42 120.58 1i69 h ASP 137 Ca 0.22 -0.19 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 1i69 h ASP 137 Cb 0.11 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 40.88 1i69 h ASP 137 CO -0.03 0.97 -0.16 0.28 -2.88 0.00 0.00 179.24 177.43 1i69 h SER 138 N 1.11 0.00 0.00 2.28 0.02 -0.99 -3.46 113.55 112.50 1i69 h SER 138 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1i69 h SER 138 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1i69 h SER 138 CO -0.01 0.16 0.00 0.61 -1.14 0.00 0.00 176.83 176.44 1i69 n GLY 139 N -0.15 0.38 0.37 -3.77 0.00 -0.83 -4.96 105.19 96.23 1i69 n GLY 139 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.02 1i69 n GLY 139 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i69 h LYS 140 N 3.60 1.20 -6.25 1.61 1.79 -1.58 -3.43 116.57 113.52 1i69 h LYS 140 Ca 0.00 -0.07 -0.66 0.00 -2.18 0.00 0.00 60.65 57.74 1i69 h LYS 140 Cb 0.00 -0.27 -0.12 0.00 -1.58 0.00 0.00 32.23 30.26 1i69 h LYS 140 CO 0.00 0.79 -0.65 -0.51 -1.08 0.00 0.00 179.45 178.01 1i69 s LEU 141 N -10.16 3.53 -0.02 2.94 1.43 -1.16 -4.96 118.68 110.29 1i69 s LEU 141 Ca -0.13 -0.08 -0.09 0.00 -1.03 0.00 0.00 54.13 52.80 1i69 s LEU 141 Cb 0.19 -2.17 -0.31 0.00 0.03 0.00 0.00 46.19 43.94 1i69 s LEU 141 CO 0.81 0.22 0.79 0.44 0.23 0.00 0.00 176.35 178.84 1i69 h ASP 142 N 3.78 0.59 -5.03 2.29 3.32 -1.38 -3.43 116.42 116.56 1i69 h ASP 142 Ca -0.48 -0.80 -0.05 0.00 0.02 0.00 0.00 57.03 55.72 1i69 h ASP 142 Cb 1.17 -0.19 -0.14 0.00 0.22 0.00 0.00 39.33 40.39 1i69 h ASP 142 CO 0.60 1.66 0.05 0.00 -1.72 0.00 0.00 179.24 179.83 1i69 s ALA 143 N -2.60 -1.27 0.01 3.45 0.00 -1.17 -4.59 121.76 115.59 1i69 s ALA 143 Ca -0.12 0.37 0.03 0.00 0.00 0.00 0.00 51.96 52.23 1i69 s ALA 143 Cb 0.06 0.61 -0.01 0.00 0.00 0.00 0.00 23.12 23.77 1i69 s ALA 143 CO 0.87 -0.61 -0.10 0.08 0.00 0.00 0.00 175.76 176.00 1i69 s VAL 144 N -3.20 0.79 -0.20 0.00 1.01 -0.21 -2.01 120.40 116.58 1i69 s VAL 144 Ca -0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 1i69 s VAL 144 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.70 1i69 s VAL 144 CO -0.08 0.12 -0.12 -0.63 0.00 0.00 0.00 175.10 174.39 1i69 s ILE 145 N -0.44 2.74 0.25 2.22 1.01 0.41 -0.02 121.20 127.37 1i69 s ILE 145 Ca 0.02 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 59.89 1i69 s ILE 145 Cb -0.05 -2.20 0.03 0.00 0.01 0.00 0.00 42.46 40.25 1i69 s ILE 145 CO 0.00 0.48 0.45 0.00 0.00 0.00 0.00 174.94 175.87 1i69 n LEU 146 N 4.63 0.00 -4.62 2.97 -0.00 -0.95 -3.07 117.00 115.96 1i69 n LEU 146 Ca -0.19 -1.75 -0.42 0.00 -0.00 0.00 0.00 56.01 53.64 1i69 n LEU 146 Cb 0.51 2.22 -0.05 0.00 -0.00 0.00 0.00 43.42 46.09 1i69 n LEU 146 CO 0.28 -0.52 0.55 0.00 -0.00 0.00 0.00 177.39 177.70 1i69 s ALA 147 N -1.93 3.57 0.14 1.47 0.00 -1.26 -1.26 121.76 122.48 1i69 s ALA 147 Ca 0.13 -0.39 -0.34 0.00 0.00 0.00 0.00 51.96 51.37 1i69 s ALA 147 Cb -0.02 -3.24 -0.14 0.00 0.00 0.00 0.00 23.12 19.72 1i69 s ALA 147 CO 0.10 -1.07 1.59 1.28 0.00 0.00 0.00 175.76 177.66 1i69 n LEU 148 N 6.06 3.05 0.00 0.00 4.77 -0.09 -4.95 117.00 125.84 1i69 n LEU 148 Ca 0.03 1.08 -0.23 0.00 -0.03 0.00 0.00 56.01 56.86 1i69 n LEU 148 Cb 0.48 -1.41 -0.07 0.00 -2.33 0.00 0.00 43.42 40.09 1i69 n LEU 148 CO 0.48 -0.31 -0.14 1.33 -1.33 0.00 0.00 177.39 177.42 1i69 n VAL 149 N 3.51 0.00 0.13 4.08 0.24 -1.26 -4.78 118.33 120.25 1i69 n VAL 149 Ca 0.17 -2.21 -0.13 0.00 -2.04 0.00 0.00 64.34 60.14 1i69 n VAL 149 Cb 0.28 0.84 -0.06 0.00 -1.47 0.00 0.00 33.84 33.43 1i69 n VAL 149 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1i69 h LYS 150 N 0.00 -0.48 -0.79 7.34 1.63 -2.00 -2.98 116.57 119.29 1i69 h LYS 150 Ca -0.28 0.03 0.15 0.00 -0.85 0.00 0.00 60.65 59.70 1i69 h LYS 150 Cb 1.12 0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 32.80 1i69 h LYS 150 CO 0.44 -0.32 0.53 1.05 -3.45 0.00 0.00 179.45 177.70 1i69 h GLU 151 N -0.49 0.44 -0.12 1.90 9.09 -1.99 -0.46 114.58 122.94 1i69 h GLU 151 Ca 0.02 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.40 1i69 h GLU 151 Cb 0.50 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 27.50 1i69 h GLU 151 CO -0.12 0.29 0.00 -1.13 0.05 0.00 0.00 179.01 178.10 1i69 n SER 152 N -4.49 0.12 -0.01 3.06 3.41 -1.12 -3.45 113.62 111.13 1i69 n SER 152 Ca 0.15 -1.25 -0.17 0.00 -0.26 0.00 0.00 58.87 57.35 1i69 n SER 152 Cb 0.54 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.37 1i69 n SER 152 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1i69 h GLU 153 N 0.07 0.75 -0.16 4.33 4.81 -1.20 -3.22 114.58 119.98 1i69 h GLU 153 Ca 0.00 -0.62 0.05 0.00 -0.13 0.00 0.00 59.36 58.65 1i69 h GLU 153 Cb 0.06 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1i69 h GLU 153 CO 0.00 1.23 0.16 0.00 -0.73 0.00 0.00 179.01 179.67 1i69 h ALA 154 N 0.59 1.84 -5.83 2.92 0.00 -1.80 -3.43 119.26 113.55 1i69 h ALA 154 Ca -0.05 -0.01 -0.41 0.00 0.00 0.00 0.00 54.91 54.44 1i69 h ALA 154 Cb 1.41 0.01 0.04 0.00 0.00 0.00 0.00 17.79 19.26 1i69 h ALA 154 CO 0.16 -0.24 0.01 1.19 0.00 0.00 0.00 179.25 180.37 1i69 n PHE 155 N -3.95 -2.65 -2.90 0.00 3.01 -1.22 -4.83 117.46 104.93 1i69 n PHE 155 Ca 0.01 -1.68 -0.42 0.00 1.01 0.00 0.00 57.45 56.37 1i69 n PHE 155 Cb 0.28 -0.53 -0.04 0.00 -0.01 0.00 0.00 39.48 39.17 1i69 n PHE 155 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1i69 s ILE 156 N -2.29 4.84 -0.14 4.37 -1.09 -0.94 -4.94 121.20 121.01 1i69 s ILE 156 Ca 0.54 1.56 -0.06 0.00 -2.23 0.00 0.00 60.65 60.46 1i69 s ILE 156 Cb -0.04 -4.11 -0.04 0.00 -1.58 0.00 0.00 42.46 36.69 1i69 s ILE 156 CO 0.35 -0.07 0.09 -1.61 -1.23 0.00 0.00 174.94 172.47 1i69 s GLU 157 N 2.79 3.56 -0.31 2.79 2.02 -1.26 -2.81 118.70 125.48 1i69 s GLU 157 Ca 0.35 -0.25 0.00 0.00 0.02 0.00 0.00 54.97 55.09 1i69 s GLU 157 Cb -0.15 -3.14 0.10 0.00 0.10 0.00 0.00 34.13 31.04 1i69 s GLU 157 CO 0.08 0.58 0.08 0.08 0.02 0.00 0.00 175.26 176.10 1i69 s VAL 158 N -0.49 1.18 -0.02 2.63 1.01 -0.05 -4.96 120.40 119.70 1i69 s VAL 158 Ca 0.11 -1.58 -0.34 0.00 0.00 0.00 0.00 61.98 60.17 1i69 s VAL 158 Cb -0.12 -1.87 -0.13 0.00 0.00 0.00 0.00 36.38 34.27 1i69 s VAL 158 CO 0.02 -0.64 1.78 -2.65 0.00 0.00 0.00 175.10 173.61 1i69 n PRO 159 N 4.72 2.14 -0.12 2.72 -0.02 -1.26 -0.63 135.00 142.54 1i69 n PRO 159 Ca -0.01 0.78 -0.26 0.00 -2.02 0.00 0.00 63.50 61.99 1i69 n PRO 159 Cb 0.42 -2.60 -0.11 0.00 -0.02 0.00 0.00 33.50 31.20 1i69 n PRO 159 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1i69 n LEU 160 N 5.60 1.94 -3.57 2.45 4.77 0.17 -4.90 117.00 123.47 1i69 n LEU 160 Ca 0.21 0.37 -0.06 0.00 -0.03 0.00 0.00 56.01 56.50 1i69 n LEU 160 Cb 0.29 -0.90 -0.02 0.00 -2.33 0.00 0.00 43.42 40.46 1i69 n LEU 160 CO 0.70 0.45 0.91 0.72 -1.33 0.00 0.00 177.39 178.83 1i69 s PHE 161 N -2.44 -0.21 -0.13 -1.77 -0.12 -0.97 -4.58 117.98 107.76 1i69 s PHE 161 Ca -0.34 0.17 -0.13 0.00 -0.05 0.00 0.00 56.93 56.58 1i69 s PHE 161 Cb 0.10 0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 42.96 1i69 s PHE 161 CO 0.55 -0.30 0.29 -0.51 -0.05 0.00 0.00 175.22 175.20 1i69 s ASP 162 N -2.09 6.49 -0.20 1.98 1.11 -1.26 -0.78 116.67 121.93 1i69 s ASP 162 Ca 0.07 0.58 -0.02 0.00 0.18 0.00 0.00 52.55 53.36 1i69 s ASP 162 Cb -0.01 -2.18 0.00 0.00 1.07 0.00 0.00 42.92 41.80 1i69 s ASP 162 CO -0.05 0.17 -0.12 -0.70 1.18 0.00 0.00 175.17 175.66 1i69 s GLU 163 N 0.02 3.21 0.76 8.23 2.12 0.32 -4.95 118.70 128.41 1i69 s GLU 163 Ca 0.18 -0.72 -0.11 0.00 0.36 0.00 0.00 54.97 54.67 1i69 s GLU 163 Cb -0.13 -2.80 0.05 0.00 0.26 0.00 0.00 34.13 31.50 1i69 s GLU 163 CO 0.05 -0.19 1.09 -1.25 -0.54 0.00 0.00 175.26 174.43 1i69 s PRO 164 N 1.35 2.37 -0.14 4.30 0.04 -1.26 -1.86 135.00 139.80 1i69 s PRO 164 Ca 0.05 0.65 0.01 0.00 0.04 0.00 0.00 61.00 61.75 1i69 s PRO 164 Cb -0.14 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.47 1i69 s PRO 164 CO -0.07 -1.42 -0.17 -1.64 0.04 0.00 0.00 177.00 173.74 1i69 s MET 165 N -5.18 2.52 0.41 4.56 -1.94 -0.47 -1.44 119.30 117.76 1i69 s MET 165 Ca 0.60 -0.66 0.01 0.00 -1.71 0.00 0.00 55.69 53.93 1i69 s MET 165 Cb -0.14 -2.17 -0.01 0.00 2.01 0.00 0.00 34.83 34.53 1i69 s MET 165 CO 0.54 -0.12 0.62 -0.51 -0.01 0.00 0.00 175.02 175.53 1i69 s LEU 166 N 1.14 3.76 0.15 -0.03 1.02 -0.71 -4.28 118.68 119.74 1i69 s LEU 166 Ca -0.02 0.23 -0.11 0.00 0.02 0.00 0.00 54.13 54.25 1i69 s LEU 166 Cb -0.14 -3.11 -0.07 0.00 0.02 0.00 0.00 46.19 42.89 1i69 s LEU 166 CO -0.06 -0.59 0.49 -0.22 0.02 0.00 0.00 176.35 175.99 1i69 s LEU 167 N -4.45 4.29 -0.11 1.79 2.96 -0.40 -0.98 118.68 121.78 1i69 s LEU 167 Ca 0.46 0.91 0.00 0.00 -0.22 0.00 0.00 54.13 55.28 1i69 s LEU 167 Cb -0.10 -3.29 0.02 0.00 0.50 0.00 0.00 46.19 43.32 1i69 s LEU 167 CO 0.36 0.07 -0.10 0.00 -1.32 0.00 0.00 176.35 175.37 1i69 s ALA 168 N -1.55 1.40 0.09 5.97 0.00 0.89 -2.02 121.76 126.55 1i69 s ALA 168 Ca 0.39 -0.58 0.02 0.00 0.00 0.00 0.00 51.96 51.79 1i69 s ALA 168 Cb -0.13 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 1i69 s ALA 168 CO 0.20 -0.29 -0.06 0.96 0.00 0.00 0.00 175.76 176.56 1i69 s ILE 169 N 1.44 0.66 0.43 0.00 -4.36 -0.63 -1.40 121.20 117.34 1i69 s ILE 169 Ca 0.01 -1.87 -0.21 0.00 -0.26 0.00 0.00 60.65 58.31 1i69 s ILE 169 Cb -0.13 -1.60 -0.11 0.00 1.25 0.00 0.00 42.46 41.87 1i69 s ILE 169 CO -0.06 -0.85 0.96 -0.72 0.24 0.00 0.00 174.94 174.52 1i69 s TYR 170 N -3.48 3.29 0.30 1.37 1.13 -1.26 0.60 117.35 119.30 1i69 s TYR 170 Ca 0.10 1.61 0.06 0.00 -1.41 0.00 0.00 57.07 57.44 1i69 s TYR 170 Cb 0.04 -2.88 0.79 0.00 -1.10 0.00 0.00 41.96 38.81 1i69 s TYR 170 CO -0.05 -0.19 1.71 0.93 -2.51 0.00 0.00 175.55 175.45 1i69 h GLU 171 N 1.93 0.47 -1.05 -3.49 5.08 -1.85 -1.46 114.58 114.21 1i69 h GLU 171 Ca -0.49 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1i69 h GLU 171 Cb 1.19 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1i69 h GLU 171 CO 0.61 0.31 0.00 -0.25 -1.00 0.00 0.00 179.01 178.68 1i69 n ASP 172 N -4.97 1.47 -4.79 1.42 10.43 -1.26 -4.71 116.55 114.15 1i69 n ASP 172 Ca 0.24 -1.36 -0.34 0.00 2.57 0.00 0.00 54.79 55.90 1i69 n ASP 172 Cb 0.69 -0.34 -0.07 0.00 1.84 0.00 0.00 41.12 43.23 1i69 n ASP 172 CO 0.00 0.00 0.00 -2.28 -1.07 0.00 0.00 177.20 173.85 1i69 s HIS 173 N -0.23 3.34 0.19 1.24 2.46 -0.55 -5.02 115.29 116.72 1i69 s HIS 173 Ca 0.00 0.28 -0.20 0.00 0.47 0.00 0.00 55.06 55.61 1i69 s HIS 173 Cb 0.00 -1.80 0.15 0.00 -0.13 0.00 0.00 32.58 30.80 1i69 s HIS 173 CO 0.00 0.58 1.59 -1.35 -2.47 0.00 0.00 174.74 173.08 1i69 h PRO 174 N 4.52 -0.13 0.00 2.88 0.11 -1.89 0.20 132.00 137.68 1i69 h PRO 174 Ca -0.51 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1i69 h PRO 174 Cb 1.19 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1i69 h PRO 174 CO 0.60 -0.09 0.00 0.91 -0.21 0.00 0.00 178.00 179.21 1i69 n TRP 175 N -5.44 0.00 -0.13 0.65 8.01 -1.26 -3.77 117.44 115.50 1i69 n TRP 175 Ca 0.05 0.00 0.28 0.00 -1.31 0.00 0.00 57.50 56.52 1i69 n TRP 175 Cb 0.36 -0.07 0.71 0.00 -2.01 0.00 0.00 31.31 30.30 1i69 n TRP 175 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1i69 h ALA 176 N 2.86 2.69 -0.29 6.99 0.00 -0.89 0.11 119.26 130.74 1i69 h ALA 176 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1i69 h ALA 176 Cb 0.03 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1i69 h ALA 176 CO 0.00 -1.13 0.00 0.27 0.00 0.00 0.00 179.25 178.39 1i69 n ASN 177 N -3.93 2.91 -4.28 0.00 0.23 -1.25 -5.00 115.26 103.95 1i69 n ASN 177 Ca 0.17 -1.86 -0.29 0.00 -0.53 0.00 0.00 54.58 52.07 1i69 n ASN 177 Cb 0.99 -0.18 0.21 0.00 -2.08 0.00 0.00 39.78 38.72 1i69 n ASN 177 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1i69 s ARG 178 N -1.18 -0.36 -0.01 -3.83 1.81 0.37 -4.99 118.95 110.77 1i69 s ARG 178 Ca 0.27 0.21 0.10 0.00 -1.72 0.00 0.00 55.73 54.60 1i69 s ARG 178 Cb 0.16 -1.67 -0.15 0.00 -0.45 0.00 0.00 34.95 32.84 1i69 s ARG 178 CO 0.22 -3.19 0.27 -1.91 -0.68 0.00 0.00 175.30 170.01 1i69 n GLU 179 N -4.45 1.07 -3.60 3.54 2.13 -1.26 -5.04 120.64 113.03 1i69 n GLU 179 Ca 0.09 -0.07 -0.05 0.00 0.66 0.00 0.00 57.16 57.79 1i69 n GLU 179 Cb 0.58 -1.18 -0.03 0.00 0.27 0.00 0.00 31.44 31.08 1i69 n GLU 179 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1i69 s ALA 180 N -2.54 -2.06 -0.09 4.31 0.00 -1.26 -4.44 121.76 115.69 1i69 s ALA 180 Ca -0.02 1.64 0.01 0.00 0.00 0.00 0.00 51.96 53.59 1i69 s ALA 180 Cb 0.07 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.75 1i69 s ALA 180 CO 0.42 -0.49 -0.11 0.08 0.00 0.00 0.00 175.76 175.66 1i69 s VAL 181 N -1.99 1.15 0.32 0.00 1.01 -0.57 -5.01 120.40 115.32 1i69 s VAL 181 Ca 0.08 -0.44 -0.27 0.00 0.00 0.00 0.00 61.98 61.34 1i69 s VAL 181 Cb -0.01 -1.09 -0.09 0.00 0.00 0.00 0.00 36.38 35.19 1i69 s VAL 181 CO -0.05 0.37 1.03 -2.16 0.00 0.00 0.00 175.10 174.30 1i69 s PRO 182 N 1.07 4.52 0.39 2.72 0.04 -1.26 -1.77 135.00 140.71 1i69 s PRO 182 Ca -0.07 1.58 0.18 0.00 0.04 0.00 0.00 61.00 62.73 1i69 s PRO 182 Cb -0.15 -2.94 1.09 0.00 0.04 0.00 0.00 34.50 32.54 1i69 s PRO 182 CO -0.01 0.17 1.76 0.52 0.04 0.00 0.00 177.00 179.47 1i69 h MET 183 N 3.36 0.39 -0.98 4.56 2.86 -1.50 -0.54 114.93 123.08 1i69 h MET 183 Ca -0.47 -0.02 0.22 0.00 -2.06 0.00 0.00 59.70 57.36 1i69 h MET 183 Cb 1.21 -0.09 -0.12 0.00 0.06 0.00 0.00 31.60 32.66 1i69 h MET 183 CO 0.65 0.26 0.56 0.00 1.06 0.00 0.00 176.91 179.44 1i69 h ALA 184 N 1.64 1.66 0.00 6.32 0.00 -1.87 0.26 119.26 127.27 1i69 h ALA 184 Ca 0.61 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.63 1i69 h ALA 184 Cb 1.51 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1i69 h ALA 184 CO -0.33 -0.19 0.00 -0.44 0.00 0.00 0.00 179.25 178.29 1i69 h ASP 185 N 0.62 0.00 0.00 0.00 3.32 -1.47 -3.24 116.42 115.65 1i69 h ASP 185 Ca 0.60 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.64 1i69 h ASP 185 Cb 1.05 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.60 1i69 h ASP 185 CO -0.44 0.00 -0.16 -0.07 -1.72 0.00 0.00 179.24 176.84 1i69 h LEU 186 N 0.00 0.00 -0.22 1.55 3.38 -0.61 -3.37 115.31 116.04 1i69 h LEU 186 Ca 0.00 -0.07 0.09 0.00 0.09 0.00 0.00 57.88 57.99 1i69 h LEU 186 Cb 0.25 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1i69 h LEU 186 CO 0.00 0.62 0.12 0.00 0.09 0.00 0.00 178.44 179.27 1i69 n ALA 187 N -3.01 0.22 -2.22 1.53 0.00 -1.12 -0.36 120.51 115.56 1i69 n ALA 187 Ca -0.03 0.21 -0.41 0.00 0.00 0.00 0.00 53.44 53.21 1i69 n ALA 187 Cb 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.35 1i69 n ALA 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i69 n GLY 188 N -1.06 5.35 0.00 0.00 0.00 -1.26 -4.85 105.19 103.37 1i69 n GLY 188 Ca 0.08 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.90 1i69 n GLY 188 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1i69 n GLU 189 N 1.62 0.00 -4.52 1.61 2.13 0.52 -5.09 120.64 116.91 1i69 n GLU 189 Ca 0.55 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 58.07 1i69 n GLU 189 Cb 0.27 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 31.85 1i69 n GLU 189 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1i69 s LYS 190 N -2.00 1.65 0.22 5.31 1.02 -1.26 -4.96 119.74 119.72 1i69 s LYS 190 Ca 0.00 -1.21 0.07 0.00 0.02 0.00 0.00 55.97 54.84 1i69 s LYS 190 Cb 0.00 -2.00 -0.05 0.00 -0.52 0.00 0.00 37.83 35.26 1i69 s LYS 190 CO 0.00 0.48 -0.11 -0.48 -0.92 0.00 0.00 175.35 174.33 1i69 s LEU 191 N -1.82 2.50 0.31 3.17 2.34 -1.26 -4.66 118.68 119.26 1i69 s LEU 191 Ca 0.14 -1.08 -0.28 0.00 0.06 0.00 0.00 54.13 52.97 1i69 s LEU 191 Cb -0.10 -0.59 -0.09 0.00 -0.56 0.00 0.00 46.19 44.85 1i69 s LEU 191 CO 0.06 -0.26 1.14 -0.76 -1.06 0.00 0.00 176.35 175.47 1i69 s LEU 192 N -3.33 4.45 0.17 1.48 1.43 -0.64 -4.99 118.68 117.26 1i69 s LEU 192 Ca 0.24 2.33 0.02 0.00 -1.03 0.00 0.00 54.13 55.70 1i69 s LEU 192 Cb 0.01 -3.73 -0.05 0.00 0.03 0.00 0.00 46.19 42.46 1i69 s LEU 192 CO 0.07 -0.31 -0.02 -0.04 0.23 0.00 0.00 176.35 176.28 1i69 s MET 193 N -1.71 1.11 0.77 1.70 -1.94 -1.26 -4.66 119.30 113.30 1i69 s MET 193 Ca 0.48 -1.52 -0.12 0.00 -1.71 0.00 0.00 55.69 52.82 1i69 s MET 193 Cb -0.32 -0.37 0.05 0.00 2.01 0.00 0.00 34.83 36.20 1i69 s MET 193 CO 0.42 -0.08 1.13 -0.51 -0.01 0.00 0.00 175.02 175.96 1i69 s LEU 194 N -3.18 2.65 0.76 -0.03 1.43 -1.26 -1.99 118.68 117.07 1i69 s LEU 194 Ca 0.22 1.02 -0.11 0.00 -1.03 0.00 0.00 54.13 54.23 1i69 s LEU 194 Cb 0.05 -3.65 0.05 0.00 0.03 0.00 0.00 46.19 42.67 1i69 s LEU 194 CO 0.03 -1.71 1.09 -0.70 0.23 0.00 0.00 176.35 175.29 1i69 s GLU 195 N -5.40 2.34 0.53 1.70 2.12 -0.30 -4.68 118.70 115.01 1i69 s GLU 195 Ca 0.60 1.11 -0.22 0.00 0.36 0.00 0.00 54.97 56.83 1i69 s GLU 195 Cb -0.12 -1.91 -0.06 0.00 0.26 0.00 0.00 34.13 32.30 1i69 s GLU 195 CO 0.51 -1.57 1.28 -0.25 -0.54 0.00 0.00 175.26 174.69 1i69 n ASP 196 N -3.46 2.34 0.00 -1.70 8.00 -1.26 -2.75 116.55 117.71 1i69 n ASP 196 Ca 0.09 0.97 0.00 0.00 0.71 0.00 0.00 54.79 56.56 1i69 n ASP 196 Cb 0.53 -1.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 1i69 n ASP 196 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i69 n GLY 197 N 0.86 1.60 3.33 0.44 0.00 -1.26 -5.06 105.19 105.10 1i69 n GLY 197 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1i69 n GLY 197 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1i69 s HIS 198 N -2.16 3.08 -0.62 1.61 3.76 -1.11 -4.33 115.29 115.52 1i69 s HIS 198 Ca 0.00 -0.97 -0.08 0.00 -0.15 0.00 0.00 55.06 53.86 1i69 s HIS 198 Cb 0.00 -2.19 -0.07 0.00 1.11 0.00 0.00 32.58 31.43 1i69 s HIS 198 CO 0.00 -0.56 1.77 -1.13 -0.85 0.00 0.00 174.74 173.97 1i69 n SER 199 N 4.83 3.17 0.00 1.40 3.41 -1.26 -1.78 113.62 123.39 1i69 n SER 199 Ca -0.16 -2.29 0.00 0.00 -0.26 0.00 0.00 58.87 56.16 1i69 n SER 199 Cb 0.49 -0.92 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 1i69 n SER 199 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1i69 n LEU 200 N 5.06 0.00 -0.01 1.04 7.94 -1.26 -4.76 117.00 125.01 1i69 n LEU 200 Ca 0.34 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 55.11 1i69 n LEU 200 Cb 0.15 0.02 -0.10 0.00 0.53 0.00 0.00 43.42 44.02 1i69 n LEU 200 CO 0.72 -0.13 0.62 -0.09 -1.11 0.00 0.00 177.39 177.40 1i69 h ARG 201 N 0.00 -0.00 -1.97 1.96 2.43 -1.66 -1.42 114.38 113.72 1i69 h ARG 201 Ca 0.00 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 1i69 h ARG 201 Cb 0.00 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 1i69 h ARG 201 CO 0.00 0.51 -0.08 -0.25 -1.51 0.00 0.00 179.97 178.63 1i69 n ASP 202 N -4.85 5.43 0.00 -3.80 8.00 -1.24 -2.89 116.55 117.19 1i69 n ASP 202 Ca -0.09 -2.50 0.00 0.00 0.71 0.00 0.00 54.79 52.91 1i69 n ASP 202 Cb 0.26 -1.22 0.00 0.00 -0.02 0.00 0.00 41.12 40.14 1i69 n ASP 202 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1i69 n GLN 203 N 1.72 0.00 -2.06 -1.24 7.27 -1.12 -4.93 117.38 117.02 1i69 n GLN 203 Ca 0.17 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.97 1i69 n GLN 203 Cb 0.64 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.23 1i69 n GLN 203 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1i69 s ALA 204 N 0.00 1.76 -0.10 1.69 0.00 -0.55 -4.45 121.76 120.11 1i69 s ALA 204 Ca 0.00 -1.97 -0.07 0.00 0.00 0.00 0.00 51.96 49.92 1i69 s ALA 204 Cb 0.00 -4.64 0.01 0.00 0.00 0.00 0.00 23.12 18.49 1i69 s ALA 204 CO 0.00 -5.12 0.14 -1.33 0.00 0.00 0.00 175.76 169.45 1i69 n MET 205 N 8.44 -0.38 0.00 0.00 2.81 -1.26 -3.80 117.12 122.92 1i69 n MET 205 Ca 0.43 0.27 0.00 0.00 -1.81 0.00 0.00 57.70 56.60 1i69 n MET 205 Cb 0.47 -0.41 0.00 0.00 -0.71 0.00 0.00 33.22 32.56 1i69 n MET 205 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1i69 n GLY 206 N -0.14 2.48 1.30 3.03 0.00 -1.26 -4.05 105.19 106.55 1i69 n GLY 206 Ca -0.03 -0.41 0.01 0.00 0.00 0.00 0.00 46.02 45.60 1i69 n GLY 206 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1i69 n PHE 207 N 13.47 0.00 0.27 1.61 3.01 -1.25 -4.55 117.46 130.03 1i69 n PHE 207 Ca 0.00 -0.45 0.16 0.00 1.01 0.00 0.00 57.45 58.17 1i69 n PHE 207 Cb 0.00 0.01 0.85 0.00 -0.01 0.00 0.00 39.48 40.33 1i69 n PHE 207 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1i69 s PHE 209 N -3.87 3.14 1.07 0.00 2.99 -1.26 -4.88 117.98 115.17 1i69 s PHE 209 Ca -0.03 -1.37 -0.13 0.00 0.00 0.00 0.00 56.93 55.39 1i69 s PHE 209 Cb 0.09 -4.24 0.23 0.00 0.00 0.00 0.00 43.02 39.10 1i69 s PHE 209 CO 0.28 -1.45 1.07 0.34 -0.00 0.00 0.00 175.22 175.46 1i69 s ASP 216 N 3.52 1.93 -0.38 1.36 -1.08 -1.26 -4.77 116.67 116.00 1i69 s ASP 216 Ca 0.30 1.21 -0.03 0.00 -0.52 0.00 0.00 52.55 53.51 1i69 s ASP 216 Cb -0.07 -1.89 0.21 0.00 -1.46 0.00 0.00 42.92 39.71 1i69 s ASP 216 CO -0.08 -3.56 1.03 0.35 0.52 0.00 0.00 175.17 173.42 1i69 n THR 217 N -4.46 0.00 -0.40 1.71 -2.24 -1.26 -5.06 114.28 102.57 1i69 n THR 217 Ca 0.05 -0.41 -0.08 0.00 -2.27 0.00 0.00 64.05 61.34 1i69 n THR 217 Cb 0.57 0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 69.48 1i69 n THR 217 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i69 n HIS 218 N 2.59 0.35 -3.58 4.78 1.44 -1.26 -4.51 115.22 115.03 1i69 n HIS 218 Ca 0.12 -0.89 -0.01 0.00 -2.01 0.00 0.00 57.72 54.93 1i69 n HIS 218 Cb 0.63 -1.01 -0.04 0.00 0.12 0.00 0.00 29.99 29.69 1i69 n HIS 218 CO 0.00 0.00 0.00 0.12 -2.81 0.00 0.00 176.34 173.65 1i69 s PHE 219 N 3.02 -1.09 0.09 -1.40 5.36 -1.26 -5.18 117.98 117.52 1i69 s PHE 219 Ca 0.24 1.93 0.08 0.00 -0.96 0.00 0.00 56.93 58.21 1i69 s PHE 219 Cb 0.09 0.65 -0.03 0.00 -0.34 0.00 0.00 43.02 43.39 1i69 s PHE 219 CO -0.01 -0.54 -0.20 1.03 -1.46 0.00 0.00 175.22 174.04 1i69 s ARG 220 N 2.55 1.10 0.56 10.12 1.81 -1.26 -4.68 118.95 129.15 1i69 s ARG 220 Ca -0.06 -1.12 -0.07 0.00 -1.72 0.00 0.00 55.73 52.77 1i69 s ARG 220 Cb -0.09 -1.33 -0.01 0.00 -0.45 0.00 0.00 34.95 33.07 1i69 s ARG 220 CO -0.18 0.31 0.88 0.00 -0.68 0.00 0.00 175.30 175.63 1i69 s ALA 221 N -1.14 3.30 -0.03 2.13 0.00 -0.84 -4.79 121.76 120.38 1i69 s ALA 221 Ca 0.05 -0.53 0.05 0.00 0.00 0.00 0.00 51.96 51.53 1i69 s ALA 221 Cb -0.10 -2.68 -0.07 0.00 0.00 0.00 0.00 23.12 20.27 1i69 s ALA 221 CO 0.04 -0.63 0.12 0.25 0.00 0.00 0.00 175.76 175.54 1i69 n THR 222 N -2.50 0.00 -4.27 0.00 -2.24 -1.26 -1.15 114.28 102.86 1i69 n THR 222 Ca 0.03 -0.15 -0.20 0.00 -2.27 0.00 0.00 64.05 61.47 1i69 n THR 222 Cb 0.56 0.47 -0.11 0.00 -2.10 0.00 0.00 70.33 69.15 1i69 n THR 222 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1i69 s SER 223 N -2.40 2.23 0.35 3.42 1.04 -1.26 -4.89 113.70 112.20 1i69 s SER 223 Ca -0.01 -0.78 0.09 0.00 0.48 0.00 0.00 55.95 55.73 1i69 s SER 223 Cb 0.03 -0.10 0.66 0.00 0.10 0.00 0.00 66.02 66.71 1i69 s SER 223 CO 0.20 -0.07 1.82 0.25 0.98 0.00 0.00 173.24 176.42 1i69 h LEU 224 N 3.62 0.18 -0.13 2.42 5.85 -1.95 -2.11 115.31 123.20 1i69 h LEU 224 Ca -0.42 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.19 1i69 h LEU 224 Cb 1.20 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 1i69 h LEU 224 CO 0.48 0.46 -0.16 -0.33 -0.34 0.00 0.00 178.44 178.55 1i69 h GLU 225 N 0.17 0.33 -0.70 1.25 4.39 -1.98 0.12 114.58 118.17 1i69 h GLU 225 Ca 0.03 -0.19 0.05 0.00 0.34 0.00 0.00 59.36 59.59 1i69 h GLU 225 Cb 0.58 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.20 1i69 h GLU 225 CO 0.04 0.75 0.46 0.00 -1.16 0.00 0.00 179.01 179.10 1i69 h THR 226 N -0.06 1.05 0.30 1.13 1.03 -1.95 -0.29 112.91 114.13 1i69 h THR 226 Ca 0.02 -0.26 -0.01 0.00 -0.01 0.00 0.00 66.41 66.14 1i69 h THR 226 Cb 0.70 0.22 0.00 0.00 -1.07 0.00 0.00 68.15 68.00 1i69 h THR 226 CO 0.04 0.14 -0.14 0.25 -0.01 0.00 0.00 175.52 175.80 1i69 h LEU 227 N 0.77 -0.34 -0.60 0.00 5.85 -1.10 -2.36 115.31 117.54 1i69 h LEU 227 Ca 0.29 -0.16 0.12 0.00 0.84 0.00 0.00 57.88 58.98 1i69 h LEU 227 Cb 0.18 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.19 1i69 h LEU 227 CO -0.09 -0.01 0.01 -0.09 -0.34 0.00 0.00 178.44 177.92 1i69 h ARG 228 N -0.68 0.12 0.00 1.25 2.43 0.03 -1.58 114.38 115.96 1i69 h ARG 228 Ca -0.04 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1i69 h ARG 228 Cb 0.47 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1i69 h ARG 228 CO 0.07 0.08 -0.06 -0.91 -1.51 0.00 0.00 179.97 177.64 1i69 h ASN 229 N 0.13 0.00 0.05 -3.80 2.35 -1.02 -2.15 115.58 111.13 1i69 h ASN 229 Ca 0.31 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.97 1i69 h ASN 229 Cb 0.49 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 1i69 h ASN 229 CO -0.50 0.06 -0.29 0.24 -1.65 0.00 0.00 177.43 175.29 1i69 h MET 230 N 0.00 0.38 -0.58 0.81 2.86 -0.73 -0.62 114.93 117.04 1i69 h MET 230 Ca -0.00 -0.15 -0.06 0.00 -2.06 0.00 0.00 59.70 57.43 1i69 h MET 230 Cb 0.57 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 1i69 h MET 230 CO 0.01 0.64 0.11 0.28 1.06 0.00 0.00 176.91 179.01 1i69 h VAL 231 N 0.33 1.25 -0.49 -2.22 2.07 -1.22 -0.65 116.25 115.32 1i69 h VAL 231 Ca 0.05 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 1i69 h VAL 231 Cb 0.69 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1i69 h VAL 231 CO 0.05 0.35 0.26 0.00 0.02 0.00 0.00 177.57 178.25 1i69 h ALA 232 N 1.01 0.63 0.00 1.67 0.00 -1.18 0.63 119.26 122.03 1i69 h ALA 232 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1i69 h ALA 232 Cb 0.39 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1i69 h ALA 232 CO 0.01 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.41 1i69 n ALA 233 N -2.28 1.96 -3.03 0.00 0.00 -0.30 -4.82 120.51 112.04 1i69 n ALA 233 Ca 0.02 -0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.20 1i69 n ALA 233 Cb 0.09 -1.17 0.04 0.00 0.00 0.00 0.00 19.45 18.41 1i69 n ALA 233 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i69 n GLY 234 N -0.19 -0.33 0.71 0.00 0.00 0.21 -4.91 105.19 100.69 1i69 n GLY 234 Ca 0.08 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1i69 n GLY 234 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1i69 n SER 235 N -1.97 2.21 0.00 1.61 7.64 -0.29 -5.02 113.62 117.79 1i69 n SER 235 Ca -0.07 -1.74 0.00 0.00 1.01 0.00 0.00 58.87 58.07 1i69 n SER 235 Cb 0.59 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1i69 n SER 235 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i69 n GLY 236 N 1.26 -1.24 3.61 0.23 0.00 -1.26 -4.94 105.19 102.85 1i69 n GLY 236 Ca 0.17 -1.47 -0.28 0.00 0.00 0.00 0.00 46.02 44.44 1i69 n GLY 236 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1i69 s ILE 237 N -2.20 1.99 0.22 -0.61 -4.36 -1.26 -4.36 121.20 110.62 1i69 s ILE 237 Ca 0.00 -2.01 -0.23 0.00 -0.26 0.00 0.00 60.65 58.16 1i69 s ILE 237 Cb 0.00 -2.98 0.05 0.00 1.25 0.00 0.00 42.46 40.78 1i69 s ILE 237 CO 0.00 -0.01 0.87 0.28 0.24 0.00 0.00 174.94 176.33 1i69 s THR 238 N -2.72 0.00 0.00 8.37 -1.32 -0.49 -1.62 115.64 117.87 1i69 s THR 238 Ca 0.35 -0.80 0.00 0.00 -1.21 0.00 0.00 61.69 60.03 1i69 s THR 238 Cb 0.10 -2.13 -0.04 0.00 -1.51 0.00 0.00 72.50 68.92 1i69 s THR 238 CO 0.18 0.00 0.07 -0.76 -2.21 0.00 0.00 174.62 171.90 1i69 s LEU 239 N -2.98 3.82 -0.00 9.08 1.43 -1.26 -0.08 118.68 128.69 1i69 s LEU 239 Ca 0.13 0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.32 1i69 s LEU 239 Cb -0.03 -2.25 -0.00 0.00 0.03 0.00 0.00 46.19 43.94 1i69 s LEU 239 CO 0.05 0.26 0.02 -0.76 0.23 0.00 0.00 176.35 176.15 1i69 s LEU 240 N -1.77 1.95 0.37 1.79 1.43 -0.15 -4.94 118.68 117.36 1i69 s LEU 240 Ca 0.23 -0.06 -0.28 0.00 -1.03 0.00 0.00 54.13 52.99 1i69 s LEU 240 Cb -0.12 0.11 -0.11 0.00 0.03 0.00 0.00 46.19 46.10 1i69 s LEU 240 CO 0.14 -0.07 1.49 -2.16 0.23 0.00 0.00 176.35 175.98 1i69 s PRO 241 N -0.31 4.11 0.28 1.29 0.04 -1.26 -1.73 135.00 137.42 1i69 s PRO 241 Ca -0.03 2.57 0.02 0.00 0.04 0.00 0.00 61.00 63.60 1i69 s PRO 241 Cb -0.02 -2.97 0.69 0.00 0.04 0.00 0.00 34.50 32.24 1i69 s PRO 241 CO -0.00 -0.54 1.68 0.00 0.04 0.00 0.00 177.00 178.18 1i69 h ALA 242 N 3.15 1.34 0.00 8.56 0.00 -1.57 0.34 119.26 131.07 1i69 h ALA 242 Ca -0.51 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1i69 h ALA 242 Cb 1.24 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1i69 h ALA 242 CO 0.65 -0.37 0.00 -0.07 0.00 0.00 0.00 179.25 179.46 1i69 h LEU 243 N 0.33 0.00 -2.08 0.00 3.38 -1.89 -0.76 115.31 114.30 1i69 h LEU 243 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.51 1i69 h LEU 243 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1i69 h LEU 243 CO -0.56 0.00 0.00 0.00 0.09 0.00 0.00 178.44 177.97 1i69 n ALA 244 N -1.90 2.44 -2.89 1.53 0.00 0.11 -4.85 120.51 114.95 1i69 n ALA 244 Ca -0.01 -0.99 -0.34 0.00 0.00 0.00 0.00 53.44 52.10 1i69 n ALA 244 Cb 0.13 -0.96 -0.11 0.00 0.00 0.00 0.00 19.45 18.51 1i69 n ALA 244 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1i69 s VAL 245 N -1.28 4.11 0.79 0.00 1.01 -0.29 -4.97 120.40 119.76 1i69 s VAL 245 Ca 0.37 -0.29 -0.11 0.00 0.00 0.00 0.00 61.98 61.96 1i69 s VAL 245 Cb 0.20 -2.80 0.07 0.00 0.00 0.00 0.00 36.38 33.84 1i69 s VAL 245 CO 0.25 0.50 1.10 -2.16 0.00 0.00 0.00 175.10 174.80 1i69 s PRO 246 N 0.21 2.08 0.31 2.72 0.04 -1.26 -4.93 135.00 134.16 1i69 s PRO 246 Ca -0.01 1.26 -0.00 0.00 0.04 0.00 0.00 61.00 62.29 1i69 s PRO 246 Cb -0.13 -1.87 0.50 0.00 0.04 0.00 0.00 34.50 33.04 1i69 s PRO 246 CO 0.02 -1.79 1.95 -1.35 0.04 0.00 0.00 177.00 175.88 1i69 h PRO 247 N -1.16 1.02 -6.86 0.56 0.11 -1.98 -3.42 132.00 120.28 1i69 h PRO 247 Ca -0.44 -0.06 -0.51 0.00 0.11 0.00 0.00 66.00 65.10 1i69 h PRO 247 Cb 1.24 -0.23 0.04 0.00 0.11 0.00 0.00 31.00 32.16 1i69 h PRO 247 CO 0.50 0.68 0.54 -1.21 -0.21 0.00 0.00 178.00 178.29 1i69 s GLU 248 N -5.89 4.44 0.30 1.05 8.01 -1.26 -4.92 118.70 120.43 1i69 s GLU 248 Ca -0.11 1.96 0.05 0.00 0.01 0.00 0.00 54.97 56.88 1i69 s GLU 248 Cb 0.18 -3.06 0.46 0.00 -4.31 0.00 0.00 34.13 27.40 1i69 s GLU 248 CO 0.79 -0.02 1.73 -0.09 0.01 0.00 0.00 175.26 177.68 1i69 h ARG 249 N 3.47 0.35 -6.41 1.61 2.43 -1.87 -3.43 114.38 110.52 1i69 h ARG 249 Ca -0.48 -0.14 -0.62 0.00 -0.81 0.00 0.00 59.98 57.93 1i69 h ARG 249 Cb 1.22 -0.02 -0.24 0.00 -0.42 0.00 0.00 29.97 30.52 1i69 h ARG 249 CO 0.66 0.63 -0.85 0.21 -1.51 0.00 0.00 179.97 179.11 1i69 s LYS 250 N -4.36 1.38 -0.28 0.20 2.20 -1.26 -0.42 119.74 117.21 1i69 s LYS 250 Ca -0.06 -1.13 -0.27 0.00 -0.36 0.00 0.00 55.97 54.16 1i69 s LYS 250 Cb 0.14 -1.64 0.17 0.00 -1.51 0.00 0.00 37.83 34.99 1i69 s LYS 250 CO 0.78 0.40 1.30 0.50 -0.36 0.00 0.00 175.35 177.97 1i69 s ARG 251 N -1.61 0.19 -1.40 4.03 3.52 0.45 -4.98 118.95 119.15 1i69 s ARG 251 Ca 0.09 0.15 -0.04 0.00 -0.13 0.00 0.00 55.73 55.81 1i69 s ARG 251 Cb -0.10 0.09 0.04 0.00 -1.56 0.00 0.00 34.95 33.42 1i69 s ARG 251 CO 0.04 -0.04 0.09 -0.25 -0.81 0.00 0.00 175.30 174.32 1i69 n ASP 252 N 1.31 0.43 -0.45 -2.12 8.00 -1.26 0.34 116.55 122.80 1i69 n ASP 252 Ca -0.08 -1.11 -0.06 0.00 0.71 0.00 0.00 54.79 54.25 1i69 n ASP 252 Cb 0.57 -1.39 -0.03 0.00 -0.02 0.00 0.00 41.12 40.26 1i69 n ASP 252 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i69 n GLY 253 N -2.15 0.80 3.10 0.44 0.00 -1.26 -4.80 105.19 101.32 1i69 n GLY 253 Ca -0.22 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 1i69 n GLY 253 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i69 s VAL 254 N -2.08 1.06 -0.12 1.61 1.01 0.15 -2.72 120.40 119.31 1i69 s VAL 254 Ca 0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 1i69 s VAL 254 Cb 0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 1i69 s VAL 254 CO 0.00 0.26 -0.11 -0.69 0.00 0.00 0.00 175.10 174.55 1i69 s VAL 255 N -0.38 3.22 -0.27 2.92 1.01 0.20 -0.41 120.40 126.68 1i69 s VAL 255 Ca 0.05 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 1i69 s VAL 255 Cb -0.05 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 34.00 1i69 s VAL 255 CO -0.00 0.53 -0.02 -0.31 0.00 0.00 0.00 175.10 175.31 1i69 s TYR 256 N 0.11 3.11 0.03 5.22 1.51 0.44 -1.61 117.35 126.15 1i69 s TYR 256 Ca -0.05 -1.43 0.05 0.00 -1.01 0.00 0.00 57.07 54.63 1i69 s TYR 256 Cb -0.15 -2.12 -0.02 0.00 -0.11 0.00 0.00 41.96 39.57 1i69 s TYR 256 CO 0.04 -0.69 -0.16 -0.48 -1.11 0.00 0.00 175.55 173.15 1i69 s LEU 257 N 1.37 2.13 0.44 -1.29 0.05 -0.85 -4.81 118.68 115.72 1i69 s LEU 257 Ca 0.00 -0.42 -0.23 0.00 0.05 0.00 0.00 54.13 53.53 1i69 s LEU 257 Cb -0.17 -0.72 -0.11 0.00 -2.05 0.00 0.00 46.19 43.14 1i69 s LEU 257 CO -0.02 0.10 0.86 -2.65 -0.55 0.00 0.00 176.35 174.09 1i69 n PRO 258 N 2.09 1.06 -4.16 1.48 -0.02 -1.26 -1.28 135.00 132.92 1i69 n PRO 258 Ca -0.17 0.38 -0.35 0.00 -2.02 0.00 0.00 63.50 61.35 1i69 n PRO 258 Cb 0.54 -1.89 -0.13 0.00 -0.02 0.00 0.00 33.50 32.01 1i69 n PRO 258 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i69 s ALA 259 N -1.36 2.96 0.26 3.55 0.00 -1.26 -1.51 121.76 124.39 1i69 s ALA 259 Ca 0.65 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.63 1i69 s ALA 259 Cb -0.56 -1.68 -0.05 0.00 0.00 0.00 0.00 23.12 20.83 1i69 s ALA 259 CO 0.56 -0.10 0.11 0.96 0.00 0.00 0.00 175.76 177.28 1i69 s ILE 260 N 0.92 0.47 -0.98 0.00 -4.36 -0.73 -4.14 121.20 112.39 1i69 s ILE 260 Ca 0.00 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.28 1i69 s ILE 260 Cb -0.14 -2.61 -0.00 0.00 1.25 0.00 0.00 42.46 40.95 1i69 s ILE 260 CO 0.01 0.00 0.73 0.29 0.24 0.00 0.00 174.94 176.21 1i69 n LYS 261 N -0.46 -1.29 -3.32 0.37 5.02 -1.26 -1.97 118.16 115.24 1i69 n LYS 261 Ca 0.00 0.74 -0.20 0.00 -2.02 0.00 0.00 58.31 56.84 1i69 n LYS 261 Cb 0.66 -3.99 0.00 0.00 -0.02 0.00 0.00 35.03 31.68 1i69 n LYS 261 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1i69 s PRO 262 N -5.12 3.09 -0.33 1.97 0.04 -1.26 -3.85 135.00 129.53 1i69 s PRO 262 Ca 0.26 -0.88 -0.27 0.00 0.04 0.00 0.00 61.00 60.15 1i69 s PRO 262 Cb -0.09 -2.75 0.01 0.00 0.04 0.00 0.00 34.50 31.71 1i69 s PRO 262 CO 0.85 -0.04 0.99 -2.00 0.04 0.00 0.00 177.00 176.84 1i69 s GLU 263 N -4.29 3.99 0.27 4.56 2.12 -1.26 -4.75 118.70 119.34 1i69 s GLU 263 Ca 0.46 0.86 -0.30 0.00 0.36 0.00 0.00 54.97 56.35 1i69 s GLU 263 Cb -0.10 -3.76 -0.11 0.00 0.26 0.00 0.00 34.13 30.43 1i69 s GLU 263 CO 0.33 -0.89 1.53 -2.14 -0.54 0.00 0.00 175.26 173.56 1i69 s PRO 264 N 3.52 4.18 0.11 4.30 0.02 -1.26 -4.93 135.00 140.93 1i69 s PRO 264 Ca 0.42 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.90 1i69 s PRO 264 Cb -0.12 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.29 1i69 s PRO 264 CO 0.16 -0.55 -0.01 1.03 -0.33 0.00 0.00 177.00 177.30 1i69 s ARG 265 N -0.40 0.85 -0.05 5.54 0.52 -1.26 -1.37 118.95 122.79 1i69 s ARG 265 Ca 0.62 -1.37 -0.10 0.00 -0.52 0.00 0.00 55.73 54.36 1i69 s ARG 265 Cb -0.45 0.01 0.02 0.00 0.52 0.00 0.00 34.95 35.04 1i69 s ARG 265 CO 0.46 -0.13 0.23 -0.98 0.02 0.00 0.00 175.30 174.90 1i69 s ARG 266 N -3.93 0.45 -0.25 3.54 1.70 -0.78 -4.98 118.95 114.70 1i69 s ARG 266 Ca 0.16 -0.00 -0.09 0.00 -0.47 0.00 0.00 55.73 55.32 1i69 s ARG 266 Cb 0.07 0.20 -0.04 0.00 -0.57 0.00 0.00 34.95 34.60 1i69 s ARG 266 CO -0.03 -0.10 0.13 0.99 -1.08 0.00 0.00 175.30 175.22 1i69 s THR 267 N -0.68 4.97 -0.21 4.99 2.01 -1.26 -0.52 115.64 124.95 1i69 s THR 267 Ca -0.08 0.05 -0.18 0.00 0.31 0.00 0.00 61.69 61.79 1i69 s THR 267 Cb -0.04 -3.33 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 1i69 s THR 267 CO 0.02 0.32 0.49 -0.63 -0.69 0.00 0.00 174.62 174.13 1i69 s ILE 268 N 1.41 5.12 0.20 1.82 -1.09 0.04 -0.92 121.20 127.79 1i69 s ILE 268 Ca 0.06 0.90 0.03 0.00 -2.23 0.00 0.00 60.65 59.42 1i69 s ILE 268 Cb -0.15 -3.82 -0.05 0.00 -1.58 0.00 0.00 42.46 36.86 1i69 s ILE 268 CO 0.06 0.18 -0.03 -0.83 -1.23 0.00 0.00 174.94 173.10 1i69 s GLY 269 N 1.17 1.36 -0.12 6.18 0.00 -0.39 0.45 107.32 115.96 1i69 s GLY 269 Ca 0.23 -1.66 -0.09 0.00 0.00 0.00 0.00 44.72 43.20 1i69 s GLY 269 CO 0.09 -1.62 0.17 -2.27 0.00 0.00 0.00 173.10 169.47 1i69 s LEU 270 N -3.24 4.36 -0.04 0.66 0.20 0.19 -2.23 118.68 118.58 1i69 s LEU 270 Ca 0.24 0.48 0.03 0.00 0.69 0.00 0.00 54.13 55.57 1i69 s LEU 270 Cb 0.05 -2.14 0.01 0.00 -0.43 0.00 0.00 46.19 43.68 1i69 s LEU 270 CO 0.06 0.35 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.66 1i69 s VAL 271 N -0.74 1.00 0.03 1.68 1.01 0.97 -0.87 120.40 123.48 1i69 s VAL 271 Ca 0.15 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 1i69 s VAL 271 Cb -0.12 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 1i69 s VAL 271 CO 0.04 0.31 -0.02 -0.72 0.00 0.00 0.00 175.10 174.71 1i69 s TYR 272 N 0.35 0.37 0.16 5.22 -0.85 -1.12 -1.04 117.35 120.43 1i69 s TYR 272 Ca -0.07 -0.76 -0.31 0.00 -0.52 0.00 0.00 57.07 55.40 1i69 s TYR 272 Cb -0.12 -0.27 -0.11 0.00 0.38 0.00 0.00 41.96 41.84 1i69 s TYR 272 CO 0.02 -0.29 1.70 1.03 -1.52 0.00 0.00 175.55 176.49 1i69 s ARG 273 N -2.62 4.16 0.37 -3.49 0.52 -1.26 -2.22 118.95 114.41 1i69 s ARG 273 Ca -0.05 2.51 -0.28 0.00 -0.52 0.00 0.00 55.73 57.39 1i69 s ARG 273 Cb -0.02 -3.28 -0.11 0.00 0.52 0.00 0.00 34.95 32.06 1i69 s ARG 273 CO -0.05 -0.74 1.50 -1.25 0.02 0.00 0.00 175.30 174.78 1i69 s PRO 274 N 1.72 4.10 0.00 3.54 0.04 -1.26 -2.31 135.00 140.82 1i69 s PRO 274 Ca 0.75 2.59 0.00 0.00 0.04 0.00 0.00 61.00 64.38 1i69 s PRO 274 Cb -0.46 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1i69 s PRO 274 CO 0.33 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 177.23 1i69 n GLY 275 N 0.53 3.04 0.20 0.56 0.00 -1.26 -5.01 105.19 103.25 1i69 n GLY 275 Ca 0.01 -0.84 -0.04 0.00 0.00 0.00 0.00 46.02 45.15 1i69 n GLY 275 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1i69 n SER 276 N 1.32 0.07 -0.24 1.61 2.88 -0.98 -4.73 113.62 113.54 1i69 n SER 276 Ca 0.00 0.06 0.18 0.00 -1.33 0.00 0.00 58.87 57.78 1i69 n SER 276 Cb 0.00 -0.05 0.49 0.00 -0.75 0.00 0.00 64.21 63.90 1i69 n SER 276 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1i69 h PRO 277 N 0.28 0.44 -0.98 -1.46 0.11 -1.95 -1.12 132.00 127.32 1i69 h PRO 277 Ca -0.02 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 1i69 h PRO 277 Cb 0.07 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 1i69 h PRO 277 CO 0.05 0.29 0.04 1.28 -0.21 0.00 0.00 178.00 179.46 1i69 n LEU 278 N -4.53 2.65 -0.28 2.35 4.77 -1.26 -4.45 117.00 116.25 1i69 n LEU 278 Ca 0.19 -1.34 0.10 0.00 -0.03 0.00 0.00 56.01 54.92 1i69 n LEU 278 Cb 0.66 -0.53 0.25 0.00 -2.33 0.00 0.00 43.42 41.46 1i69 n LEU 278 CO 0.30 0.45 0.99 -0.09 -1.33 0.00 0.00 177.39 177.71 1i69 h ARG 279 N 0.27 0.33 -0.72 3.23 2.43 -1.51 -0.18 114.38 118.22 1i69 h ARG 279 Ca 0.04 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1i69 h ARG 279 Cb 0.99 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.43 1i69 h ARG 279 CO 0.10 0.22 0.30 1.03 -1.51 0.00 0.00 179.97 180.11 1i69 h SER 280 N 0.34 0.99 0.00 -3.80 0.87 -1.87 -1.48 113.55 108.61 1i69 h SER 280 Ca 0.49 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1i69 h SER 280 Cb 0.89 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.59 1i69 h SER 280 CO -0.52 0.89 -0.04 -0.09 -0.53 0.00 0.00 176.83 176.54 1i69 h ARG 281 N 1.03 -0.05 -0.82 2.24 2.43 -1.33 -1.15 114.38 116.74 1i69 h ARG 281 Ca 0.24 0.00 0.20 0.00 -0.81 0.00 0.00 59.98 59.61 1i69 h ARG 281 Cb 0.20 0.01 -0.13 0.00 -0.42 0.00 0.00 29.97 29.63 1i69 h ARG 281 CO -0.02 -0.03 0.23 1.88 -1.51 0.00 0.00 179.97 180.52 1i69 h TYR 282 N -0.05 0.35 -0.07 2.20 0.99 -1.46 -1.82 116.97 117.11 1i69 h TYR 282 Ca 0.00 0.05 0.04 0.00 2.00 0.00 0.00 58.73 60.82 1i69 h TYR 282 Cb 0.05 -0.03 -0.06 0.00 1.00 0.00 0.00 36.73 37.70 1i69 h TYR 282 CO -0.35 -0.13 -0.34 0.93 -0.00 0.00 0.00 178.16 178.26 1i69 h GLU 283 N 0.26 -0.44 -0.68 4.88 4.39 -0.63 0.76 114.58 123.14 1i69 h GLU 283 Ca 0.49 0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.22 1i69 h GLU 283 Cb 0.92 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.64 1i69 h GLU 283 CO -0.58 -0.29 0.42 1.96 -1.16 0.00 0.00 179.01 179.37 1i69 h GLN 284 N -0.45 0.90 0.50 2.33 4.20 -0.42 -0.77 115.11 121.40 1i69 h GLN 284 Ca 0.08 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1i69 h GLN 284 Cb 0.57 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1i69 h GLN 284 CO -0.33 0.62 -0.31 1.25 -0.67 0.00 0.00 178.83 179.39 1i69 h LEU 285 N 0.92 -0.78 -1.91 1.46 5.85 -0.70 0.13 115.31 120.28 1i69 h LEU 285 Ca 0.25 0.05 0.04 0.00 0.84 0.00 0.00 57.88 59.06 1i69 h LEU 285 Cb -0.07 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1i69 h LEU 285 CO -0.05 -0.49 0.16 0.00 -0.34 0.00 0.00 178.44 177.72 1i69 h ALA 286 N -0.33 2.07 0.55 1.25 0.00 -0.47 -1.85 119.26 120.47 1i69 h ALA 286 Ca -0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1i69 h ALA 286 Cb 0.63 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1i69 h ALA 286 CO 0.06 -0.12 -0.26 0.93 0.00 0.00 0.00 179.25 179.85 1i69 h GLU 287 N 0.11 -0.71 -0.64 0.00 4.39 -0.15 -0.17 114.58 117.41 1i69 h GLU 287 Ca 0.10 0.05 0.10 0.00 0.34 0.00 0.00 59.36 59.95 1i69 h GLU 287 Cb 0.27 0.16 -0.08 0.00 -0.10 0.00 0.00 28.75 29.00 1i69 h GLU 287 CO -0.01 -0.42 0.25 0.00 -1.16 0.00 0.00 179.01 177.67 1i69 h ALA 288 N -0.53 0.84 0.36 3.43 0.00 -0.22 0.27 119.26 123.41 1i69 h ALA 288 Ca -0.08 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1i69 h ALA 288 Cb 0.62 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1i69 h ALA 288 CO 0.12 -0.18 -0.17 0.82 0.00 0.00 0.00 179.25 179.84 1i69 h ILE 289 N 0.43 0.62 -0.93 0.00 2.04 -1.32 -2.42 117.51 115.92 1i69 h ILE 289 Ca 0.33 -0.47 0.20 0.00 1.00 0.00 0.00 64.86 65.92 1i69 h ILE 289 Cb 0.41 0.85 -0.11 0.00 -0.74 0.00 0.00 36.82 37.23 1i69 h ILE 289 CO -0.32 0.09 0.49 -0.09 0.00 0.00 0.00 178.15 178.32 1i69 h ARG 290 N -0.77 0.55 0.52 2.37 2.43 -0.66 -0.81 114.38 118.01 1i69 h ARG 290 Ca -0.05 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1i69 h ARG 290 Cb 0.51 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1i69 h ARG 290 CO 0.08 0.36 -0.31 0.00 -1.51 0.00 0.00 179.97 178.60 1i69 h ALA 291 N 1.67 -1.15 -0.43 2.80 0.00 -0.85 -2.67 119.26 118.62 1i69 h ALA 291 Ca 0.56 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.43 1i69 h ALA 291 Cb 0.97 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1i69 h ALA 291 CO -0.45 -1.12 0.33 -0.09 0.00 0.00 0.00 179.25 177.92 1i69 h ARG 292 N -0.77 0.00 -0.25 0.00 9.65 -0.83 -1.53 114.38 120.64 1i69 h ARG 292 Ca -0.07 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 1i69 h ARG 292 Cb 0.61 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 1i69 h ARG 292 CO 0.08 0.00 0.00 -1.33 2.80 0.00 0.00 179.97 181.52 1i69 n MET 293 N -4.29 2.09 -2.21 0.20 2.81 -0.39 -4.86 117.12 110.47 1i69 n MET 293 Ca 0.07 -1.64 -0.42 0.00 -1.81 0.00 0.00 57.70 53.91 1i69 n MET 293 Cb 0.53 -1.45 -0.03 0.00 -0.71 0.00 0.00 33.22 31.56 1i69 n MET 293 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1i69 s ASP 294 N -1.56 6.88 -1.54 7.83 2.15 -0.58 -2.83 116.67 127.02 1i69 s ASP 294 Ca 0.35 2.33 -0.13 0.00 0.43 0.00 0.00 52.55 55.52 1i69 s ASP 294 Cb 0.20 -2.60 0.09 0.00 -0.30 0.00 0.00 42.92 40.31 1i69 s ASP 294 CO 0.29 -0.58 0.93 0.61 -0.17 0.00 0.00 175.17 176.24 1i69 n GLY 295 N 3.01 -0.47 0.10 2.66 0.00 -1.26 -4.85 105.19 104.38 1i69 n GLY 295 Ca 0.09 0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.41 1i69 n GLY 295 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1i69 h HIS 296 N -1.99 0.00 -2.31 1.61 6.17 -1.85 -3.37 115.15 113.41 1i69 h HIS 296 Ca -0.59 0.00 -0.75 0.00 0.71 0.00 0.00 60.37 59.75 1i69 h HIS 296 Cb 1.38 0.00 -0.31 0.00 2.52 0.00 0.00 27.41 30.99 1i69 h HIS 296 CO 0.57 0.00 0.56 1.19 0.71 0.00 0.00 177.93 180.96 1i69 n PHE 297 N -2.46 3.08 -1.55 5.26 3.01 -1.26 -5.16 117.46 118.38 1i69 n PHE 297 Ca 0.02 -2.97 0.00 0.00 1.01 0.00 0.00 57.45 55.52 1i69 n PHE 297 Cb 0.49 -1.01 0.00 0.00 -0.01 0.00 0.00 39.48 38.96 1i69 n PHE 297 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52