#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrf s LYS 76 N 0.00 3.17 0.86 -0.14 -0.14 -1.26 -5.02 119.74 117.22 3hrf s LYS 76 Ca 0.00 1.82 -0.12 0.00 -1.36 0.00 0.00 55.97 56.31 3hrf s LYS 76 Cb 0.00 -2.04 0.11 0.00 -1.68 0.00 0.00 37.83 34.21 3hrf s LYS 76 CO 0.00 -1.04 1.11 0.15 -0.76 0.00 0.00 175.35 174.81 3hrf s LYS 77 N -3.19 1.57 0.11 1.68 1.02 -1.26 -5.08 119.74 114.59 3hrf s LYS 77 Ca 0.74 0.50 0.04 0.00 0.02 0.00 0.00 55.97 57.27 3hrf s LYS 77 Cb -0.30 -1.87 -0.04 0.00 -0.52 0.00 0.00 37.83 35.10 3hrf s LYS 77 CO 0.34 -1.95 -0.10 1.03 -0.92 0.00 0.00 175.35 173.75 3hrf s ARG 78 N -5.19 0.88 0.32 1.68 0.52 -1.26 -4.70 118.95 111.21 3hrf s ARG 78 Ca 0.62 -1.23 0.05 0.00 -0.52 0.00 0.00 55.73 54.65 3hrf s ARG 78 Cb -0.15 -0.50 0.69 0.00 0.52 0.00 0.00 34.95 35.50 3hrf s ARG 78 CO 0.54 0.07 1.86 -1.35 0.02 0.00 0.00 175.30 176.44 3hrf h PRO 79 N 3.35 0.82 0.00 3.54 0.11 -1.96 -1.49 132.00 136.36 3hrf h PRO 79 Ca -0.37 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3hrf h PRO 79 Cb 1.19 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3hrf h PRO 79 CO 0.56 0.54 0.00 0.39 -0.21 0.00 0.00 178.00 179.28 3hrf n GLU 80 N -4.57 0.07 0.00 1.05 4.71 -1.26 -2.18 120.64 118.45 3hrf n GLU 80 Ca 0.17 0.27 0.15 0.00 -0.01 0.00 0.00 57.16 57.74 3hrf n GLU 80 Cb 0.39 -1.50 0.71 0.00 -1.01 0.00 0.00 31.44 30.03 3hrf n GLU 80 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3hrf n ASP 81 N -1.36 0.28 -4.23 1.62 8.00 -0.56 -4.89 116.55 115.42 3hrf n ASP 81 Ca 0.03 -0.54 -0.21 0.00 0.71 0.00 0.00 54.79 54.78 3hrf n ASP 81 Cb 0.07 -0.12 -0.12 0.00 -0.02 0.00 0.00 41.12 40.92 3hrf n ASP 81 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3hrf s PHE 82 N -2.41 1.49 -0.23 1.24 0.08 -0.93 -0.50 117.98 116.71 3hrf s PHE 82 Ca 0.32 -0.45 -0.08 0.00 0.12 0.00 0.00 56.93 56.84 3hrf s PHE 82 Cb 0.20 -0.82 -0.04 0.00 -0.57 0.00 0.00 43.02 41.80 3hrf s PHE 82 CO 0.45 0.13 0.10 0.21 -0.10 0.00 0.00 175.22 176.01 3hrf s LYS 83 N -1.94 3.85 0.07 0.44 2.20 -0.04 -4.90 119.74 119.43 3hrf s LYS 83 Ca 0.03 -0.38 -0.11 0.00 -0.36 0.00 0.00 55.97 55.15 3hrf s LYS 83 Cb -0.09 -3.38 -0.06 0.00 -1.51 0.00 0.00 37.83 32.79 3hrf s LYS 83 CO 0.03 -0.02 0.41 -0.06 -0.36 0.00 0.00 175.35 175.35 3hrf s PHE 84 N 1.21 3.61 0.00 4.03 0.40 -1.26 -0.71 117.98 125.26 3hrf s PHE 84 Ca 0.05 0.84 0.00 0.00 -0.60 0.00 0.00 56.93 57.22 3hrf s PHE 84 Cb -0.14 -2.19 0.00 0.00 0.51 0.00 0.00 43.02 41.19 3hrf s PHE 84 CO 0.04 0.53 0.00 0.41 0.70 0.00 0.00 175.22 176.91 3hrf n GLY 85 N 1.06 3.06 3.77 4.36 0.00 0.15 -4.98 105.19 112.60 3hrf n GLY 85 Ca -0.09 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 3hrf n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hrf s LYS 86 N 4.30 3.50 0.12 1.61 -2.85 -1.26 -4.61 119.74 120.56 3hrf s LYS 86 Ca 0.00 1.66 -0.31 0.00 -1.00 0.00 0.00 55.97 56.32 3hrf s LYS 86 Cb 0.00 -2.15 -0.08 0.00 -2.06 0.00 0.00 37.83 33.55 3hrf s LYS 86 CO 0.00 -0.74 1.35 0.42 0.10 0.00 0.00 175.35 176.48 3hrf s ILE 87 N -1.70 3.39 -0.10 3.79 1.01 -1.26 -0.77 121.20 125.57 3hrf s ILE 87 Ca 0.69 1.02 0.15 0.00 0.00 0.00 0.00 60.65 62.51 3hrf s ILE 87 Cb -0.25 -3.65 -0.22 0.00 0.01 0.00 0.00 42.46 38.34 3hrf s ILE 87 CO 0.29 0.09 0.53 0.18 0.00 0.00 0.00 174.94 176.04 3hrf n LEU 88 N 3.76 0.61 0.00 2.97 4.77 0.15 -4.91 117.00 124.35 3hrf n LEU 88 Ca 0.10 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 3hrf n LEU 88 Cb 0.43 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 3hrf n LEU 88 CO 0.58 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 3hrf n GLY 89 N 1.56 0.57 3.02 -0.72 0.00 -1.14 -5.00 105.19 103.48 3hrf n GLY 89 Ca -0.19 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 44.88 3hrf n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hrf s GLU 90 N -2.00 1.26 0.41 1.61 2.02 -1.26 -0.89 118.70 119.85 3hrf s GLU 90 Ca 0.00 -0.36 0.05 0.00 0.02 0.00 0.00 54.97 54.68 3hrf s GLU 90 Cb 0.00 -1.12 0.05 0.00 0.10 0.00 0.00 34.13 33.16 3hrf s GLU 90 CO 0.00 0.10 0.44 0.41 0.02 0.00 0.00 175.26 176.23 3hrf n GLY 91 N 3.45 2.39 0.37 -1.39 0.00 0.98 -4.99 105.19 106.00 3hrf n GLY 91 Ca -0.20 -2.23 -0.01 0.00 0.00 0.00 0.00 46.02 43.58 3hrf n GLY 91 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hrf h SER 92 N 0.27 1.11 0.00 1.61 0.02 -2.03 -3.26 113.55 111.27 3hrf h SER 92 Ca -0.22 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 3hrf h SER 92 Cb 0.91 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.18 3hrf h SER 92 CO 0.34 0.79 -0.05 0.49 -1.14 0.00 0.00 176.83 177.25 3hrf n PHE 93 N -4.42 0.00 -3.62 3.45 3.72 -1.26 -5.07 117.46 110.26 3hrf n PHE 93 Ca 0.12 -0.62 -0.12 0.00 -0.05 0.00 0.00 57.45 56.78 3hrf n PHE 93 Cb 0.05 -0.09 -0.05 0.00 -0.94 0.00 0.00 39.48 38.45 3hrf n PHE 93 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3hrf s SER 94 N -1.75 -0.29 -0.03 4.37 1.04 -1.23 -4.48 113.70 111.34 3hrf s SER 94 Ca 0.14 -0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.44 3hrf s SER 94 Cb 0.12 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.72 3hrf s SER 94 CO 0.01 -0.79 -0.09 -0.89 0.98 0.00 0.00 173.24 172.47 3hrf s THR 95 N -3.27 0.75 -0.21 2.02 2.01 -0.84 -0.01 115.64 116.10 3hrf s THR 95 Ca -0.00 -0.34 -0.05 0.00 0.31 0.00 0.00 61.69 61.61 3hrf s THR 95 Cb 0.01 -0.68 -0.02 0.00 0.01 0.00 0.00 72.50 71.82 3hrf s THR 95 CO -0.08 0.24 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.39 3hrf s VAL 96 N 0.24 3.81 -0.03 3.82 1.01 -0.07 -0.68 120.40 128.49 3hrf s VAL 96 Ca -0.04 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 61.65 3hrf s VAL 96 Cb -0.09 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 3hrf s VAL 96 CO 0.00 0.42 -0.23 -0.69 0.00 0.00 0.00 175.10 174.60 3hrf s VAL 97 N 1.16 1.87 0.16 2.92 1.01 -0.13 0.34 120.40 127.73 3hrf s VAL 97 Ca 0.03 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 60.71 3hrf s VAL 97 Cb -0.14 -1.57 -0.08 0.00 0.00 0.00 0.00 36.38 34.59 3hrf s VAL 97 CO 0.01 0.53 1.28 -0.22 0.00 0.00 0.00 175.10 176.70 3hrf s LEU 98 N -0.37 4.41 0.02 3.92 2.96 0.06 -0.29 118.68 129.38 3hrf s LEU 98 Ca 0.04 2.28 0.00 0.00 -0.22 0.00 0.00 54.13 56.23 3hrf s LEU 98 Cb -0.11 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 3hrf s LEU 98 CO 0.01 -0.51 -0.03 0.00 -1.32 0.00 0.00 176.35 174.51 3hrf s ALA 99 N 0.43 0.14 -0.17 5.97 0.00 -0.12 0.29 121.76 128.30 3hrf s ALA 99 Ca 0.58 -0.42 -0.02 0.00 0.00 0.00 0.00 51.96 52.09 3hrf s ALA 99 Cb -0.34 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 3hrf s ALA 99 CO 0.35 -0.09 -0.08 0.50 0.00 0.00 0.00 175.76 176.44 3hrf s ARG 100 N -1.00 3.43 -0.03 0.00 3.52 0.11 -0.81 118.95 124.17 3hrf s ARG 100 Ca -0.10 -0.63 -0.30 0.00 -0.13 0.00 0.00 55.73 54.57 3hrf s ARG 100 Cb -0.07 -2.83 -0.04 0.00 -1.56 0.00 0.00 34.95 30.44 3hrf s ARG 100 CO -0.01 0.05 1.32 -2.00 -0.81 0.00 0.00 175.30 173.86 3hrf s GLU 101 N 0.81 4.30 0.18 5.12 2.12 0.58 -0.86 118.70 130.95 3hrf s GLU 101 Ca -0.03 1.85 -0.11 0.00 0.36 0.00 0.00 54.97 57.04 3hrf s GLU 101 Cb -0.15 -3.59 0.08 0.00 0.26 0.00 0.00 34.13 30.74 3hrf s GLU 101 CO 0.01 -0.54 1.72 -0.07 -0.54 0.00 0.00 175.26 175.85 3hrf h LEU 102 N 8.41 0.87 -1.36 2.70 3.38 -1.13 0.31 115.31 128.49 3hrf h LEU 102 Ca -0.36 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 3hrf h LEU 102 Cb 1.17 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 3hrf h LEU 102 CO 0.90 0.82 -0.07 0.00 0.09 0.00 0.00 178.44 180.18 3hrf h ALA 103 N 1.09 1.02 0.00 1.53 0.00 -1.92 -3.33 119.26 117.64 3hrf h ALA 103 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hrf h ALA 103 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3hrf h ALA 103 CO -0.01 0.09 -0.55 0.25 0.00 0.00 0.00 179.25 179.03 3hrf n THR 104 N -3.20 0.00 -0.98 0.00 -2.24 -1.13 -5.02 114.28 101.70 3hrf n THR 104 Ca 0.00 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3hrf n THR 104 Cb 0.34 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 3hrf n THR 104 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3hrf n SER 105 N -1.12 -5.09 -4.77 3.42 7.64 0.11 -5.00 113.62 108.81 3hrf n SER 105 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 3hrf n SER 105 Cb 0.00 -2.79 -0.01 0.00 -1.01 0.00 0.00 64.21 60.40 3hrf n SER 105 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3hrf s ARG 106 N -1.52 3.89 -0.16 1.43 0.52 -1.25 -4.73 118.95 117.14 3hrf s ARG 106 Ca 0.00 1.86 -0.08 0.00 -0.52 0.00 0.00 55.73 56.99 3hrf s ARG 106 Cb 0.00 -2.56 -0.04 0.00 0.52 0.00 0.00 34.95 32.87 3hrf s ARG 106 CO 0.00 -0.47 0.12 -1.21 0.02 0.00 0.00 175.30 173.76 3hrf s GLU 107 N -2.48 3.79 0.08 3.54 2.02 -1.26 -0.31 118.70 124.08 3hrf s GLU 107 Ca 0.60 -0.20 0.04 0.00 0.02 0.00 0.00 54.97 55.43 3hrf s GLU 107 Cb -0.31 -3.27 -0.03 0.00 0.10 0.00 0.00 34.13 30.62 3hrf s GLU 107 CO 0.38 0.52 -0.11 0.71 0.02 0.00 0.00 175.26 176.78 3hrf s TYR 108 N -0.30 1.09 -0.32 1.61 2.02 0.01 -4.55 117.35 116.92 3hrf s TYR 108 Ca 0.11 -0.56 -0.19 0.00 -0.37 0.00 0.00 57.07 56.05 3hrf s TYR 108 Cb -0.12 -0.60 -0.01 0.00 -0.40 0.00 0.00 41.96 40.83 3hrf s TYR 108 CO 0.01 0.02 0.57 0.00 -1.57 0.00 0.00 175.55 174.58 3hrf s ALA 109 N -1.91 3.52 -0.26 3.71 0.00 -0.33 -0.95 121.76 125.55 3hrf s ALA 109 Ca 0.01 -0.78 -0.07 0.00 0.00 0.00 0.00 51.96 51.12 3hrf s ALA 109 Cb -0.06 -3.04 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 3hrf s ALA 109 CO 0.01 -1.08 0.08 0.42 0.00 0.00 0.00 175.76 175.19 3hrf s ILE 110 N 2.50 4.26 -0.21 0.00 1.01 0.60 -0.86 121.20 128.51 3hrf s ILE 110 Ca 0.22 -0.29 -0.19 0.00 0.00 0.00 0.00 60.65 60.40 3hrf s ILE 110 Cb -0.15 -3.04 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 3hrf s ILE 110 CO 0.12 0.27 0.53 -0.75 0.00 0.00 0.00 174.94 175.11 3hrf s LYS 111 N 1.59 4.18 -0.07 2.79 2.20 -0.45 -0.95 119.74 129.03 3hrf s LYS 111 Ca 0.06 0.42 0.06 0.00 -0.36 0.00 0.00 55.97 56.14 3hrf s LYS 111 Cb -0.16 -3.57 -0.01 0.00 -1.51 0.00 0.00 37.83 32.58 3hrf s LYS 111 CO 0.03 -0.18 -0.24 0.42 -0.36 0.00 0.00 175.35 175.02 3hrf s ILE 112 N 1.73 2.02 0.02 5.43 1.01 0.14 -0.76 121.20 130.78 3hrf s ILE 112 Ca 0.24 -1.04 0.05 0.00 0.00 0.00 0.00 60.65 59.90 3hrf s ILE 112 Cb -0.15 -1.72 -0.02 0.00 0.01 0.00 0.00 42.46 40.58 3hrf s ILE 112 CO 0.10 0.56 -0.14 -0.76 0.00 0.00 0.00 174.94 174.69 3hrf s LEU 113 N -0.04 2.13 -0.14 2.97 1.02 -0.61 -1.98 118.68 122.03 3hrf s LEU 113 Ca -0.07 -0.39 -0.24 0.00 0.02 0.00 0.00 54.13 53.45 3hrf s LEU 113 Cb -0.15 -0.64 -0.02 0.00 0.02 0.00 0.00 46.19 45.40 3hrf s LEU 113 CO 0.05 0.07 0.74 -1.61 0.02 0.00 0.00 176.35 175.62 3hrf s GLU 114 N -0.89 4.32 0.11 1.70 8.01 -1.26 -1.16 118.70 129.53 3hrf s GLU 114 Ca 0.03 0.87 -0.26 0.00 0.01 0.00 0.00 54.97 55.62 3hrf s GLU 114 Cb -0.07 -3.53 -0.09 0.00 -4.31 0.00 0.00 34.13 26.13 3hrf s GLU 114 CO 0.01 -0.18 1.65 0.87 0.01 0.00 0.00 175.26 177.62 3hrf h LYS 115 N 7.18 -0.38 -0.61 1.61 1.57 -0.74 -2.02 116.57 123.18 3hrf h LYS 115 Ca -0.34 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 58.58 3hrf h LYS 115 Cb 1.16 0.09 -0.09 0.00 0.08 0.00 0.00 32.23 33.47 3hrf h LYS 115 CO 0.79 -0.26 0.14 0.00 -0.57 0.00 0.00 179.45 179.56 3hrf h ARG 116 N -0.40 0.27 -0.21 3.15 3.08 -1.95 -0.98 114.38 117.35 3hrf h ARG 116 Ca 0.03 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3hrf h ARG 116 Cb 0.43 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3hrf h ARG 116 CO -0.13 0.18 0.10 1.25 -1.07 0.00 0.00 179.97 180.30 3hrf h HIS 117 N 0.28 0.30 -0.03 3.04 -0.00 -1.86 0.33 115.15 117.21 3hrf h HIS 117 Ca 0.32 -0.02 -0.13 0.00 -0.00 0.00 0.00 60.37 60.54 3hrf h HIS 117 Cb 0.48 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.78 3hrf h HIS 117 CO -0.24 0.31 -0.60 -0.84 -0.00 0.00 0.00 177.93 176.56 3hrf h ILE 118 N 0.21 1.41 -0.13 6.26 3.07 -1.11 -0.87 117.51 126.36 3hrf h ILE 118 Ca 0.07 -2.03 -0.03 0.00 1.55 0.00 0.00 64.86 64.43 3hrf h ILE 118 Cb 0.12 2.07 -0.00 0.00 -0.27 0.00 0.00 36.82 38.73 3hrf h ILE 118 CO -0.01 0.59 -0.03 0.40 -1.05 0.00 0.00 178.15 178.04 3hrf h ILE 119 N 0.07 1.29 -0.14 0.16 2.04 -1.00 0.25 117.51 120.18 3hrf h ILE 119 Ca -0.01 -0.99 -0.05 0.00 1.00 0.00 0.00 64.86 64.82 3hrf h ILE 119 Cb 1.08 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.84 3hrf h ILE 119 CO 0.08 0.29 -0.13 0.11 0.00 0.00 0.00 178.15 178.51 3hrf h LYS 120 N -0.07 0.23 -0.63 2.37 6.56 -0.80 -2.87 116.57 121.36 3hrf h LYS 120 Ca 0.03 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 3hrf h LYS 120 Cb 0.46 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.09 3hrf h LYS 120 CO 0.01 0.36 0.00 0.39 -2.06 0.00 0.00 179.45 178.16 3hrf n GLU 121 N -4.28 3.12 -3.60 3.15 -0.58 -0.34 -4.93 120.64 113.18 3hrf n GLU 121 Ca -0.01 -2.35 -0.27 0.00 -0.42 0.00 0.00 57.16 54.12 3hrf n GLU 121 Cb 0.26 -1.73 0.01 0.00 -0.57 0.00 0.00 31.44 29.41 3hrf n GLU 121 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hrf n ASN 122 N 0.98 -4.50 -1.04 1.62 4.13 -1.01 -4.88 115.26 110.56 3hrf n ASN 122 Ca 0.21 -0.57 0.11 0.00 1.68 0.00 0.00 54.58 56.01 3hrf n ASN 122 Cb 0.72 -3.65 0.17 0.00 -1.54 0.00 0.00 39.78 35.48 3hrf n ASN 122 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3hrf n LYS 123 N -4.21 2.34 -0.35 3.52 4.76 0.84 -4.60 118.16 120.46 3hrf n LYS 123 Ca 0.00 -2.12 0.02 0.00 -2.87 0.00 0.00 58.31 53.35 3hrf n LYS 123 Cb 0.54 -1.47 0.17 0.00 -1.84 0.00 0.00 35.03 32.43 3hrf n LYS 123 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3hrf h VAL 124 N 4.27 1.07 0.00 -0.18 2.07 -1.90 -1.53 116.25 120.04 3hrf h VAL 124 Ca 0.00 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 3hrf h VAL 124 Cb 0.94 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3hrf h VAL 124 CO 0.00 0.20 -0.01 1.55 0.02 0.00 0.00 177.57 179.33 3hrf h PRO 125 N 1.12 0.00 -0.32 1.57 0.13 -1.94 -1.66 132.00 130.89 3hrf h PRO 125 Ca 0.42 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.44 3hrf h PRO 125 Cb 0.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.30 3hrf h PRO 125 CO -0.18 0.01 -0.27 1.88 -0.23 0.00 0.00 178.00 179.21 3hrf h TYR 126 N 0.00 0.74 -0.06 1.56 0.05 -1.56 -0.79 116.97 116.92 3hrf h TYR 126 Ca -0.00 -0.17 -0.14 0.00 0.05 0.00 0.00 58.73 58.46 3hrf h TYR 126 Cb 0.47 -0.18 0.01 0.00 1.01 0.00 0.00 36.73 38.04 3hrf h TYR 126 CO 0.00 0.85 -0.52 0.28 -1.05 0.00 0.00 178.16 177.72 3hrf h VAL 127 N 0.56 1.40 -0.37 -2.88 2.07 -1.25 -1.35 116.25 114.43 3hrf h VAL 127 Ca 0.07 -1.91 -0.13 0.00 0.82 0.00 0.00 66.70 65.56 3hrf h VAL 127 Cb 0.75 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.87 3hrf h VAL 127 CO 0.06 0.56 -0.28 0.71 0.02 0.00 0.00 177.57 178.65 3hrf h THR 128 N -0.00 1.28 -0.23 2.57 1.35 -1.43 -2.29 112.91 114.15 3hrf h THR 128 Ca -0.05 -1.41 -0.00 0.00 -0.55 0.00 0.00 66.41 64.40 3hrf h THR 128 Cb 1.19 1.28 -0.01 0.00 -1.73 0.00 0.00 68.15 68.88 3hrf h THR 128 CO 0.11 0.47 0.14 -0.09 -0.25 0.00 0.00 175.52 175.90 3hrf h ARG 129 N 0.67 0.32 -0.32 4.72 9.65 -1.12 -0.82 114.38 127.48 3hrf h ARG 129 Ca 0.08 -0.03 0.05 0.00 -1.10 0.00 0.00 59.98 58.99 3hrf h ARG 129 Cb 0.80 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 29.27 3hrf h ARG 129 CO 0.07 0.26 0.01 1.49 2.80 0.00 0.00 179.97 184.59 3hrf h GLU 130 N 0.29 0.10 -0.22 0.20 4.81 -1.12 -0.11 114.58 118.54 3hrf h GLU 130 Ca 0.08 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3hrf h GLU 130 Cb 0.02 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3hrf h GLU 130 CO -0.02 0.07 0.13 -0.09 -0.73 0.00 0.00 179.01 178.37 3hrf h ARG 131 N 0.10 0.31 -0.47 1.92 2.43 -1.26 -1.30 114.38 116.11 3hrf h ARG 131 Ca 0.15 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3hrf h ARG 131 Cb 0.20 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3hrf h ARG 131 CO -0.25 0.26 0.17 -0.44 -1.51 0.00 0.00 179.97 178.20 3hrf h ASP 132 N 0.26 0.67 -0.04 -3.80 3.32 -0.75 -1.15 116.42 114.94 3hrf h ASP 132 Ca 0.08 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 3hrf h ASP 132 Cb 0.04 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 3hrf h ASP 132 CO -0.01 0.68 -0.01 0.58 -1.72 0.00 0.00 179.24 178.75 3hrf h VAL 133 N 0.63 1.32 -0.17 -1.35 2.07 -0.98 -3.20 116.25 114.57 3hrf h VAL 133 Ca 0.15 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 3hrf h VAL 133 Cb 0.24 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 3hrf h VAL 133 CO -0.01 0.26 0.00 0.24 0.02 0.00 0.00 177.57 178.09 3hrf h MET 134 N -0.31 0.24 0.00 1.57 2.86 -1.16 -1.52 114.93 116.61 3hrf h MET 134 Ca 0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3hrf h MET 134 Cb 0.43 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.05 3hrf h MET 134 CO 0.00 0.26 0.00 0.77 1.06 0.00 0.00 176.91 179.01 3hrf h SER 135 N 0.24 0.00 0.55 1.22 0.02 -1.20 -2.51 113.55 111.87 3hrf h SER 135 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3hrf h SER 135 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3hrf h SER 135 CO 0.00 0.00 -0.37 0.54 -1.14 0.00 0.00 176.83 175.86 3hrf n ARG 136 N -2.81 0.11 -4.03 3.45 1.74 -0.57 -4.92 116.66 109.63 3hrf n ARG 136 Ca -0.01 -0.06 -0.35 0.00 -0.77 0.00 0.00 57.85 56.66 3hrf n ARG 136 Cb 0.16 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.02 3hrf n ARG 136 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hrf s LEU 137 N -2.93 3.99 -0.45 0.55 1.43 -0.95 -5.03 118.68 115.29 3hrf s LEU 137 Ca 0.14 0.24 0.05 0.00 -1.03 0.00 0.00 54.13 53.53 3hrf s LEU 137 Cb 0.18 -1.97 0.18 0.00 0.03 0.00 0.00 46.19 44.60 3hrf s LEU 137 CO 0.64 0.31 0.53 -0.62 0.23 0.00 0.00 176.35 177.44 3hrf s ASP 138 N -0.43 0.01 -0.17 2.29 2.15 -1.26 -4.88 116.67 114.38 3hrf s ASP 138 Ca 0.10 -2.18 -0.19 0.00 0.43 0.00 0.00 52.55 50.71 3hrf s ASP 138 Cb -0.12 0.82 0.05 0.00 -0.30 0.00 0.00 42.92 43.38 3hrf s ASP 138 CO 0.02 -0.13 0.53 -2.28 -0.17 0.00 0.00 175.17 173.13 3hrf s HIS 139 N 0.69 -0.56 0.44 -5.34 2.46 -1.26 -5.06 115.29 106.67 3hrf s HIS 139 Ca 0.29 1.30 0.40 0.00 0.47 0.00 0.00 55.06 57.52 3hrf s HIS 139 Cb -0.01 0.21 2.09 0.00 -0.13 0.00 0.00 32.58 34.74 3hrf s HIS 139 CO -0.10 -0.32 2.21 -1.00 -2.47 0.00 0.00 174.74 173.06 3hrf h PRO 140 N 4.98 0.00 -0.62 2.88 0.13 -2.00 -2.79 132.00 134.58 3hrf h PRO 140 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3hrf h PRO 140 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3hrf h PRO 140 CO 0.21 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.17 3hrf n PHE 141 N -2.94 1.82 -4.55 1.56 3.72 -1.26 -4.82 117.46 110.99 3hrf n PHE 141 Ca -0.02 -0.68 -0.24 0.00 -0.05 0.00 0.00 57.45 56.46 3hrf n PHE 141 Cb 0.10 -0.39 -0.14 0.00 -0.94 0.00 0.00 39.48 38.11 3hrf n PHE 141 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3hrf s PHE 142 N -2.35 1.63 0.28 1.38 0.08 -1.05 -0.80 117.98 117.14 3hrf s PHE 142 Ca 0.54 -0.37 -0.30 0.00 0.12 0.00 0.00 56.93 56.92 3hrf s PHE 142 Cb 0.38 -0.97 -0.12 0.00 -0.57 0.00 0.00 43.02 41.74 3hrf s PHE 142 CO 0.20 0.07 1.53 0.28 -0.10 0.00 0.00 175.22 177.20 3hrf n VAL 143 N 1.87 1.04 -4.02 -0.44 0.31 -0.57 -4.75 118.33 111.78 3hrf n VAL 143 Ca -0.17 -0.26 -0.36 0.00 -0.01 0.00 0.00 64.34 63.54 3hrf n VAL 143 Cb 0.54 -1.80 -0.08 0.00 -0.91 0.00 0.00 33.84 31.60 3hrf n VAL 143 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3hrf s LYS 144 N -0.54 3.44 -0.41 5.55 2.20 -1.26 -4.93 119.74 123.79 3hrf s LYS 144 Ca 0.65 -0.24 -0.16 0.00 -0.36 0.00 0.00 55.97 55.85 3hrf s LYS 144 Cb -0.55 -3.10 0.02 0.00 -1.51 0.00 0.00 37.83 32.69 3hrf s LYS 144 CO 0.49 0.66 0.39 -1.17 -0.36 0.00 0.00 175.35 175.36 3hrf s LEU 145 N -0.71 4.91 -0.02 5.43 2.96 -1.26 -1.48 118.68 128.51 3hrf s LEU 145 Ca 0.12 -0.72 -0.00 0.00 -0.22 0.00 0.00 54.13 53.32 3hrf s LEU 145 Cb -0.12 -2.32 -0.26 0.00 0.50 0.00 0.00 46.19 43.99 3hrf s LEU 145 CO 0.03 -0.53 0.78 1.88 -1.32 0.00 0.00 176.35 177.18 3hrf h TYR 146 N 8.68 0.35 -2.47 5.38 -1.99 -0.97 -3.47 116.97 122.48 3hrf h TYR 146 Ca -0.27 -0.25 0.07 0.00 2.00 0.00 0.00 58.73 60.27 3hrf h TYR 146 Cb 1.12 -0.01 -0.15 0.00 2.00 0.00 0.00 36.73 39.69 3hrf h TYR 146 CO 0.60 1.35 0.40 -0.59 -0.00 0.00 0.00 178.16 179.93 3hrf s PHE 147 N -2.61 -0.41 0.10 4.88 -0.12 -1.20 -5.02 117.98 113.60 3hrf s PHE 147 Ca -0.10 0.28 0.05 0.00 -0.05 0.00 0.00 56.93 57.11 3hrf s PHE 147 Cb 0.07 0.54 -0.03 0.00 -0.63 0.00 0.00 43.02 42.97 3hrf s PHE 147 CO 0.83 -0.63 -0.12 0.95 -0.05 0.00 0.00 175.22 176.20 3hrf s THR 148 N -3.22 1.08 0.35 -4.49 -4.23 -1.26 0.05 115.64 103.92 3hrf s THR 148 Ca 0.03 -1.60 -0.13 0.00 -1.18 0.00 0.00 61.69 58.82 3hrf s THR 148 Cb -0.01 -1.35 0.03 0.00 1.34 0.00 0.00 72.50 72.52 3hrf s THR 148 CO -0.10 -0.46 0.68 0.72 -0.54 0.00 0.00 174.62 174.93 3hrf s PHE 149 N -2.14 0.32 0.05 3.99 -0.12 -0.74 -4.60 117.98 114.74 3hrf s PHE 149 Ca 0.05 -0.84 -0.09 0.00 -0.05 0.00 0.00 56.93 56.00 3hrf s PHE 149 Cb -0.05 0.55 0.00 0.00 -0.63 0.00 0.00 43.02 42.90 3hrf s PHE 149 CO 0.01 -1.38 0.18 1.14 -0.05 0.00 0.00 175.22 175.12 3hrf s GLN 150 N -2.83 0.70 0.00 1.99 -2.07 -1.26 -0.99 119.66 115.19 3hrf s GLN 150 Ca 0.19 -0.70 0.00 0.00 -1.82 0.00 0.00 55.36 53.02 3hrf s GLN 150 Cb -0.04 0.29 0.00 0.00 -1.09 0.00 0.00 33.01 32.17 3hrf s GLN 150 CO 0.13 -0.20 0.00 -0.40 -1.32 0.00 0.00 175.29 173.49 3hrf n ASP 151 N 0.57 1.64 -0.20 12.60 5.68 0.05 -4.94 116.55 131.94 3hrf n ASP 151 Ca -0.18 -0.21 0.03 0.00 -0.50 0.00 0.00 54.79 53.92 3hrf n ASP 151 Cb 0.59 0.00 0.28 0.00 -1.14 0.00 0.00 41.12 40.86 3hrf n ASP 151 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3hrf h ASP 152 N 0.00 0.79 0.00 -1.12 3.32 -2.04 -3.27 116.42 114.11 3hrf h ASP 152 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3hrf h ASP 152 Cb 0.00 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.36 3hrf h ASP 152 CO 0.00 0.55 -1.31 -0.62 -1.72 0.00 0.00 179.24 176.14 3hrf n GLU 153 N -4.45 0.85 -4.15 3.56 4.71 -1.26 -4.96 120.64 114.94 3hrf n GLU 153 Ca 0.09 -0.08 -0.13 0.00 -0.01 0.00 0.00 57.16 57.04 3hrf n GLU 153 Cb 0.10 -1.20 -0.11 0.00 -1.01 0.00 0.00 31.44 29.23 3hrf n GLU 153 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3hrf s LYS 154 N -2.59 0.79 0.02 3.49 1.02 -1.24 0.04 119.74 121.27 3hrf s LYS 154 Ca -0.03 -1.16 0.05 0.00 0.02 0.00 0.00 55.97 54.86 3hrf s LYS 154 Cb 0.07 -0.36 -0.03 0.00 -0.52 0.00 0.00 37.83 36.98 3hrf s LYS 154 CO 0.42 0.04 -0.13 -0.51 -0.92 0.00 0.00 175.35 174.25 3hrf s LEU 155 N -2.53 2.85 -0.05 3.17 1.43 -0.31 -0.77 118.68 122.48 3hrf s LEU 155 Ca 0.05 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 3hrf s LEU 155 Cb -0.01 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.58 3hrf s LEU 155 CO -0.02 0.27 -0.04 -0.31 0.23 0.00 0.00 176.35 176.48 3hrf s TYR 156 N -0.94 0.75 -0.24 0.29 1.51 -0.17 -1.58 117.35 116.98 3hrf s TYR 156 Ca 0.15 -0.21 -0.07 0.00 -1.01 0.00 0.00 57.07 55.93 3hrf s TYR 156 Cb -0.11 -0.68 -0.03 0.00 -0.11 0.00 0.00 41.96 41.03 3hrf s TYR 156 CO 0.06 -0.21 0.06 -0.06 -1.11 0.00 0.00 175.55 174.29 3hrf s PHE 157 N 1.00 3.09 -0.49 2.71 0.40 0.06 -1.79 117.98 122.95 3hrf s PHE 157 Ca -0.10 -0.39 -0.23 0.00 -0.60 0.00 0.00 56.93 55.61 3hrf s PHE 157 Cb -0.14 -2.20 0.03 0.00 0.51 0.00 0.00 43.02 41.22 3hrf s PHE 157 CO -0.00 -0.30 0.85 0.20 0.70 0.00 0.00 175.22 176.66 3hrf s GLY 158 N 1.43 1.53 0.23 4.36 0.00 0.11 -1.34 107.32 113.63 3hrf s GLY 158 Ca 0.05 -1.12 0.09 0.00 0.00 0.00 0.00 44.72 43.75 3hrf s GLY 158 CO 0.03 1.89 -0.06 1.08 0.00 0.00 0.00 173.10 176.04 3hrf s LEU 159 N 3.54 3.05 0.45 0.66 1.43 -0.04 -0.23 118.68 127.54 3hrf s LEU 159 Ca 0.30 -0.65 -0.24 0.00 -1.03 0.00 0.00 54.13 52.51 3hrf s LEU 159 Cb -0.13 -1.64 -0.07 0.00 0.03 0.00 0.00 46.19 44.38 3hrf s LEU 159 CO 0.21 0.05 1.30 -0.94 0.23 0.00 0.00 176.35 177.20 3hrf s SER 160 N -3.29 5.99 -0.33 2.29 1.04 -0.55 -1.18 113.70 117.67 3hrf s SER 160 Ca 0.28 2.64 -0.21 0.00 0.48 0.00 0.00 55.95 59.15 3hrf s SER 160 Cb -0.07 -2.63 -0.00 0.00 0.10 0.00 0.00 66.02 63.41 3hrf s SER 160 CO 0.17 -1.07 0.65 -0.47 0.98 0.00 0.00 173.24 173.50 3hrf s TYR 161 N -1.32 3.18 -0.72 5.02 5.04 -1.26 -4.34 117.35 122.95 3hrf s TYR 161 Ca 0.62 0.50 -0.18 0.00 -2.44 0.00 0.00 57.07 55.58 3hrf s TYR 161 Cb -0.37 -3.09 0.14 0.00 0.35 0.00 0.00 41.96 38.98 3hrf s TYR 161 CO 0.47 -0.56 0.81 0.00 -1.34 0.00 0.00 175.55 174.93 3hrf s ALA 162 N 2.70 3.55 0.40 3.97 0.00 -1.26 -4.77 121.76 126.36 3hrf s ALA 162 Ca 0.26 -2.59 0.08 0.00 0.00 0.00 0.00 51.96 49.71 3hrf s ALA 162 Cb -0.15 -3.64 0.84 0.00 0.00 0.00 0.00 23.12 20.18 3hrf s ALA 162 CO 0.13 -2.47 2.01 -0.22 0.00 0.00 0.00 175.76 175.21 3hrf h LYS 163 N 8.80 0.44 -0.02 0.00 3.64 -1.80 -2.55 116.57 125.07 3hrf h LYS 163 Ca -0.11 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3hrf h LYS 163 Cb 1.06 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 3hrf h LYS 163 CO 1.03 0.36 0.00 0.09 -2.27 0.00 0.00 179.45 178.66 3hrf n ASN 164 N -4.41 1.49 0.00 4.20 3.02 -0.09 -4.95 115.26 114.51 3hrf n ASN 164 Ca 0.02 -1.50 0.00 0.00 -0.03 0.00 0.00 54.58 53.06 3hrf n ASN 164 Cb 0.13 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 3hrf n ASN 164 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hrf n GLY 165 N 1.17 -0.09 3.75 7.41 0.00 -0.96 -4.66 105.19 111.81 3hrf n GLY 165 Ca 0.19 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 3hrf n GLY 165 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hrf s GLU 166 N 0.00 4.78 0.37 1.61 2.02 -1.26 -0.02 118.70 126.21 3hrf s GLU 166 Ca 0.00 1.41 0.09 0.00 0.02 0.00 0.00 54.97 56.49 3hrf s GLU 166 Cb 0.00 -3.28 0.83 0.00 0.10 0.00 0.00 34.13 31.78 3hrf s GLU 166 CO 0.00 0.51 1.92 1.25 0.02 0.00 0.00 175.26 178.96 3hrf h LEU 167 N 4.30 0.60 -0.78 1.80 5.85 -0.55 -3.03 115.31 123.51 3hrf h LEU 167 Ca -0.45 0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.43 3hrf h LEU 167 Cb 1.20 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 42.03 3hrf h LEU 167 CO 0.68 0.35 0.35 0.25 -0.34 0.00 0.00 178.44 179.72 3hrf h LEU 168 N 0.66 0.37 -1.68 2.25 5.85 -1.78 -0.85 115.31 120.13 3hrf h LEU 168 Ca 0.37 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 59.15 3hrf h LEU 168 Cb 0.52 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3hrf h LEU 168 CO -0.14 0.15 -0.19 0.07 -0.34 0.00 0.00 178.44 177.99 3hrf h LYS 169 N 0.51 0.00 -0.28 1.25 2.10 -1.87 -1.74 116.57 116.54 3hrf h LYS 169 Ca 0.42 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.90 3hrf h LYS 169 Cb 0.62 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.95 3hrf h LYS 169 CO -0.38 0.19 -0.52 1.88 -2.00 0.00 0.00 179.45 178.61 3hrf h TYR 170 N 0.00 1.00 -0.54 0.07 0.05 -1.31 -2.06 116.97 114.18 3hrf h TYR 170 Ca -0.00 -0.35 -0.00 0.00 0.05 0.00 0.00 58.73 58.43 3hrf h TYR 170 Cb 0.43 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.95 3hrf h TYR 170 CO 0.00 1.15 0.33 0.82 -1.05 0.00 0.00 178.16 179.41 3hrf h ILE 171 N 0.62 1.16 -0.45 -2.88 2.04 -1.06 -1.27 117.51 115.68 3hrf h ILE 171 Ca 0.02 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 3hrf h ILE 171 Cb 1.11 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3hrf h ILE 171 CO 0.11 0.17 0.07 0.03 0.00 0.00 0.00 178.15 178.53 3hrf h ARG 172 N 0.73 0.74 -0.11 2.37 3.08 -1.28 0.49 114.38 120.40 3hrf h ARG 172 Ca 0.19 -0.20 -0.22 0.00 0.07 0.00 0.00 59.98 59.82 3hrf h ARG 172 Cb -0.02 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 29.96 3hrf h ARG 172 CO -0.04 0.77 -0.80 0.87 -1.07 0.00 0.00 179.97 179.70 3hrf h LYS 173 N 0.60 0.74 0.07 0.04 6.56 -1.29 -3.30 116.57 119.99 3hrf h LYS 173 Ca 0.13 -0.65 -0.28 0.00 -1.06 0.00 0.00 60.65 58.80 3hrf h LYS 173 Cb 0.39 0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 32.18 3hrf h LYS 173 CO 0.01 1.25 -1.42 0.82 -2.06 0.00 0.00 179.45 178.05 3hrf h ILE 174 N 0.45 1.26 0.00 1.86 2.04 -1.27 -3.48 117.51 118.36 3hrf h ILE 174 Ca -0.07 -2.94 0.00 0.00 1.00 0.00 0.00 64.86 62.85 3hrf h ILE 174 Cb 1.44 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 40.26 3hrf h ILE 174 CO 0.16 0.81 0.00 0.61 0.00 0.00 0.00 178.15 179.73 3hrf n GLY 175 N 1.57 3.07 3.83 5.37 0.00 0.17 -4.92 105.19 114.29 3hrf n GLY 175 Ca -0.12 -0.86 -0.05 0.00 0.00 0.00 0.00 46.02 44.99 3hrf n GLY 175 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hrf s SER 176 N 0.00 -0.06 -0.02 1.61 1.04 -1.25 -3.72 113.70 111.29 3hrf s SER 176 Ca 0.00 -0.72 0.01 0.00 0.48 0.00 0.00 55.95 55.72 3hrf s SER 176 Cb 0.00 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.69 3hrf s SER 176 CO 0.00 -1.18 -0.03 -0.36 0.98 0.00 0.00 173.24 172.65 3hrf s PHE 177 N -2.61 3.01 1.16 5.02 0.40 0.17 -4.75 117.98 120.38 3hrf s PHE 177 Ca 0.17 0.06 -0.18 0.00 -0.60 0.00 0.00 56.93 56.38 3hrf s PHE 177 Cb -0.03 -1.68 0.27 0.00 0.51 0.00 0.00 43.02 42.09 3hrf s PHE 177 CO 0.06 0.42 1.11 0.16 0.70 0.00 0.00 175.22 177.67 3hrf s ASP 178 N -1.30 1.26 0.17 1.36 1.47 -0.26 -4.64 116.67 114.72 3hrf s ASP 178 Ca 0.17 0.74 -0.09 0.00 1.18 0.00 0.00 52.55 54.54 3hrf s ASP 178 Cb -0.11 -1.07 0.04 0.00 -0.34 0.00 0.00 42.92 41.44 3hrf s ASP 178 CO 0.07 -3.92 1.59 -0.08 0.68 0.00 0.00 175.17 173.50 3hrf h GLU 179 N -2.44 1.02 -0.56 2.11 4.81 -1.99 -0.41 114.58 117.13 3hrf h GLU 179 Ca -0.47 -0.39 -0.01 0.00 -0.13 0.00 0.00 59.36 58.35 3hrf h GLU 179 Cb 1.30 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 3hrf h GLU 179 CO 0.39 1.08 0.29 1.15 -0.73 0.00 0.00 179.01 181.19 3hrf h THR 180 N 0.90 1.19 -0.38 0.32 2.02 -1.95 0.16 112.91 115.18 3hrf h THR 180 Ca 0.13 -0.50 -0.10 0.00 0.77 0.00 0.00 66.41 66.72 3hrf h THR 180 Cb 0.70 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 3hrf h THR 180 CO 0.05 0.21 -0.15 0.00 0.37 0.00 0.00 175.52 176.00 3hrf h THR 182 N 0.58 0.95 -0.44 0.00 2.02 -0.91 -1.62 112.91 113.48 3hrf h THR 182 Ca 0.09 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.21 3hrf h THR 182 Cb 0.69 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 3hrf h THR 182 CO 0.05 0.04 0.27 -0.09 0.37 0.00 0.00 175.52 176.16 3hrf h ARG 183 N 0.20 0.54 0.19 6.66 2.43 -0.55 -0.31 114.38 123.53 3hrf h ARG 183 Ca 0.10 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3hrf h ARG 183 Cb 0.07 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3hrf h ARG 183 CO -0.10 0.36 -0.09 0.35 -1.51 0.00 0.00 179.97 178.97 3hrf h PHE 184 N 0.55 -0.23 -0.33 2.20 3.57 -1.01 0.34 116.94 122.03 3hrf h PHE 184 Ca 0.17 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.54 3hrf h PHE 184 Cb -0.02 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3hrf h PHE 184 CO -0.06 -0.04 -0.30 1.88 -2.23 0.00 0.00 178.31 177.56 3hrf h TYR 185 N -0.38 0.80 -0.60 0.41 0.05 -1.29 -1.50 116.97 114.46 3hrf h TYR 185 Ca -0.03 -0.20 -0.01 0.00 0.05 0.00 0.00 58.73 58.54 3hrf h TYR 185 Cb 0.30 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.82 3hrf h TYR 185 CO -0.03 0.91 0.34 1.15 -1.05 0.00 0.00 178.16 179.48 3hrf h THR 186 N 0.59 1.19 -0.64 -2.88 2.02 -0.96 -1.59 112.91 110.64 3hrf h THR 186 Ca 0.07 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 3hrf h THR 186 Cb 0.80 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 3hrf h THR 186 CO 0.07 0.20 0.34 0.00 0.37 0.00 0.00 175.52 176.50 3hrf h ALA 187 N 1.16 0.82 -0.72 6.16 0.00 -0.64 0.21 119.26 126.26 3hrf h ALA 187 Ca 0.21 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3hrf h ALA 187 Cb 0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3hrf h ALA 187 CO -0.04 0.36 0.36 0.93 0.00 0.00 0.00 179.25 180.86 3hrf h GLU 188 N 0.88 1.02 -0.40 0.00 5.08 -1.04 0.59 114.58 120.71 3hrf h GLU 188 Ca 0.22 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3hrf h GLU 188 Cb 0.07 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3hrf h GLU 188 CO -0.03 0.79 0.13 0.82 -1.00 0.00 0.00 179.01 179.72 3hrf h ILE 189 N 1.00 1.21 -0.50 3.13 2.04 -0.76 -1.07 117.51 122.57 3hrf h ILE 189 Ca 0.25 -0.67 0.04 0.00 1.00 0.00 0.00 64.86 65.47 3hrf h ILE 189 Cb 0.10 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 3hrf h ILE 189 CO -0.03 0.24 0.26 0.58 0.00 0.00 0.00 178.15 179.20 3hrf h VAL 190 N 0.50 0.98 -0.93 1.67 2.07 -0.35 -0.09 116.25 120.10 3hrf h VAL 190 Ca 0.13 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.48 3hrf h VAL 190 Cb 0.24 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 3hrf h VAL 190 CO -0.01 0.09 0.61 -1.28 0.02 0.00 0.00 177.57 177.01 3hrf h SER 191 N 0.52 1.06 -0.35 0.57 0.87 -0.65 -0.21 113.55 115.35 3hrf h SER 191 Ca 0.21 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 3hrf h SER 191 Cb 0.10 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 3hrf h SER 191 CO -0.14 0.76 0.12 0.00 -0.53 0.00 0.00 176.83 177.04 3hrf h ALA 192 N 1.35 0.46 -0.38 6.23 0.00 -0.81 -2.75 119.26 123.35 3hrf h ALA 192 Ca 0.34 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 3hrf h ALA 192 Cb -0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3hrf h ALA 192 CO -0.08 0.09 -0.24 -0.07 0.00 0.00 0.00 179.25 178.95 3hrf h LEU 193 N 0.42 0.78 -0.52 0.00 3.38 -0.63 -0.74 115.31 118.01 3hrf h LEU 193 Ca 0.11 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.86 3hrf h LEU 193 Cb 0.24 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 3hrf h LEU 193 CO -0.00 0.99 0.22 -0.08 0.09 0.00 0.00 178.44 179.65 3hrf h GLU 194 N 0.66 0.41 -0.05 1.13 4.81 -1.01 0.19 114.58 120.72 3hrf h GLU 194 Ca 0.09 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3hrf h GLU 194 Cb 0.75 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 3hrf h GLU 194 CO 0.06 0.27 0.02 -0.92 -0.73 0.00 0.00 179.01 177.71 3hrf h TYR 195 N 0.42 0.07 -0.01 0.92 3.20 -1.16 -1.10 116.97 119.32 3hrf h TYR 195 Ca 0.24 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.11 3hrf h TYR 195 Cb 0.22 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.47 3hrf h TYR 195 CO -0.14 0.17 0.01 1.25 -1.64 0.00 0.00 178.16 177.81 3hrf h LEU 196 N -0.05 0.01 -1.43 2.82 5.85 -0.84 -2.32 115.31 119.35 3hrf h LEU 196 Ca 0.02 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 3hrf h LEU 196 Cb 0.13 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3hrf h LEU 196 CO -0.00 0.01 -0.28 0.45 -0.34 0.00 0.00 178.44 178.28 3hrf h HIS 197 N 0.01 0.00 0.00 1.25 3.86 -0.66 -2.04 115.15 117.57 3hrf h HIS 197 Ca 0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.17 3hrf h HIS 197 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 3hrf h HIS 197 CO -0.08 0.28 -0.23 0.78 0.86 0.00 0.00 177.93 179.54 3hrf h GLY 198 N 1.12 0.00 -0.35 2.45 0.00 -0.73 -1.69 103.07 103.87 3hrf h GLY 198 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hrf h GLY 198 CO 0.04 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.86 3hrf n LYS 199 N -3.68 1.58 -1.90 4.80 4.76 -0.82 -4.94 118.16 117.96 3hrf n LYS 199 Ca -0.01 -0.85 -0.04 0.00 -2.87 0.00 0.00 58.31 54.53 3hrf n LYS 199 Cb 0.35 -1.46 -0.01 0.00 -1.84 0.00 0.00 35.03 32.08 3hrf n LYS 199 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hrf n GLY 200 N 1.13 0.29 3.48 0.72 0.00 -0.64 -4.84 105.19 105.34 3hrf n GLY 200 Ca 0.19 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 3hrf n GLY 200 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hrf s ILE 201 N -2.21 3.61 -0.16 -0.61 1.01 -0.89 -0.12 121.20 121.82 3hrf s ILE 201 Ca 0.00 -0.47 -0.08 0.00 0.00 0.00 0.00 60.65 60.10 3hrf s ILE 201 Cb 0.00 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 3hrf s ILE 201 CO 0.00 0.53 0.10 -0.63 0.00 0.00 0.00 174.94 174.94 3hrf s ILE 202 N 0.06 5.18 -0.06 2.92 1.01 -0.27 -3.89 121.20 126.15 3hrf s ILE 202 Ca -0.02 0.10 -0.21 0.00 0.00 0.00 0.00 60.65 60.52 3hrf s ILE 202 Cb -0.14 -3.31 -0.16 0.00 0.01 0.00 0.00 42.46 38.86 3hrf s ILE 202 CO 0.03 0.52 0.85 -0.74 0.00 0.00 0.00 174.94 175.60 3hrf h HIS 203 N 6.02 -0.16 0.00 3.97 -0.00 -1.91 -0.82 115.15 122.25 3hrf h HIS 203 Ca -0.45 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.92 3hrf h HIS 203 Cb 1.18 0.05 0.00 0.00 -0.00 0.00 0.00 27.41 28.65 3hrf h HIS 203 CO 0.63 0.31 0.00 0.54 -0.00 0.00 0.00 177.93 179.42 3hrf n ARG 204 N -4.88 0.00 -2.67 5.26 1.74 -1.26 -3.25 116.66 111.60 3hrf n ARG 204 Ca -0.08 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.93 3hrf n ARG 204 Cb 0.27 -1.89 0.04 0.00 -1.02 0.00 0.00 32.46 29.86 3hrf n ARG 204 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3hrf n ASP 205 N 0.00 2.06 -4.69 0.55 2.03 -1.26 -4.18 116.55 111.07 3hrf n ASP 205 Ca 0.00 -2.58 -0.42 0.00 0.52 0.00 0.00 54.79 52.31 3hrf n ASP 205 Cb 0.00 -0.49 -0.03 0.00 -0.72 0.00 0.00 41.12 39.89 3hrf n ASP 205 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3hrf s LEU 206 N -3.50 4.29 -0.06 -2.67 2.96 -1.26 -4.81 118.68 113.63 3hrf s LEU 206 Ca 0.31 1.83 -0.31 0.00 -0.22 0.00 0.00 54.13 55.74 3hrf s LEU 206 Cb 0.39 -3.56 0.11 0.00 0.50 0.00 0.00 46.19 43.63 3hrf s LEU 206 CO -0.01 -0.56 1.00 -1.59 -1.32 0.00 0.00 176.35 173.87 3hrf s LYS 207 N 2.02 0.65 0.54 1.98 -2.85 -1.26 -4.88 119.74 115.95 3hrf s LYS 207 Ca 0.56 -0.24 0.22 0.00 -1.00 0.00 0.00 55.97 55.50 3hrf s LYS 207 Cb -0.25 0.30 1.44 0.00 -2.06 0.00 0.00 37.83 37.25 3hrf s LYS 207 CO 0.23 -0.28 2.14 -1.35 0.10 0.00 0.00 175.35 176.18 3hrf h PRO 208 N 2.00 0.00 0.00 1.78 0.11 -1.93 0.48 132.00 134.44 3hrf h PRO 208 Ca -0.18 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.89 3hrf h PRO 208 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3hrf h PRO 208 CO 0.28 0.00 -0.21 1.49 -0.21 0.00 0.00 178.00 179.35 3hrf h GLU 209 N 0.00 0.00 -0.71 1.05 4.57 -1.95 -2.64 114.58 114.90 3hrf h GLU 209 Ca 0.05 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 3hrf h GLU 209 Cb 0.23 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 3hrf h GLU 209 CO -0.00 0.21 0.00 0.09 -1.18 0.00 0.00 179.01 178.13 3hrf n ASN 210 N -3.57 4.04 -4.15 1.04 5.03 0.14 -4.76 115.26 113.04 3hrf n ASN 210 Ca -0.01 -2.10 -0.35 0.00 0.87 0.00 0.00 54.58 52.99 3hrf n ASN 210 Cb 0.35 -0.50 -0.13 0.00 -1.02 0.00 0.00 39.78 38.48 3hrf n ASN 210 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3hrf s ILE 211 N -1.22 3.10 0.53 2.41 1.01 -1.01 -1.27 121.20 124.76 3hrf s ILE 211 Ca 0.49 -1.68 0.03 0.00 0.00 0.00 0.00 60.65 59.49 3hrf s ILE 211 Cb 0.27 -2.94 0.04 0.00 0.01 0.00 0.00 42.46 39.84 3hrf s ILE 211 CO 0.31 -0.36 0.74 -0.76 0.00 0.00 0.00 174.94 174.87 3hrf s LEU 212 N 1.20 3.33 -0.04 2.97 1.43 0.23 -0.26 118.68 127.54 3hrf s LEU 212 Ca 0.01 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 3hrf s LEU 212 Cb -0.21 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.35 3hrf s LEU 212 CO -0.02 -1.12 -0.14 -0.76 0.23 0.00 0.00 176.35 174.54 3hrf s LEU 213 N -4.69 1.83 0.00 1.79 1.43 0.97 -0.28 118.68 119.74 3hrf s LEU 213 Ca 0.58 -0.29 -0.14 0.00 -1.03 0.00 0.00 54.13 53.25 3hrf s LEU 213 Cb -0.10 -0.80 0.21 0.00 0.03 0.00 0.00 46.19 45.53 3hrf s LEU 213 CO 0.38 0.11 1.26 -0.46 0.23 0.00 0.00 176.35 177.86 3hrf n ASN 214 N 3.28 0.30 0.27 2.29 0.23 -0.17 -0.91 115.26 120.55 3hrf n ASN 214 Ca -0.19 -1.58 0.15 0.00 -0.53 0.00 0.00 54.58 52.43 3hrf n ASN 214 Cb 0.53 -0.95 0.87 0.00 -2.08 0.00 0.00 39.78 38.16 3hrf n ASN 214 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3hrf h GLU 215 N 0.00 0.00 -0.02 -3.83 9.09 -1.90 -0.62 114.58 117.30 3hrf h GLU 215 Ca -0.41 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.00 3hrf h GLU 215 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.28 3hrf h GLU 215 CO 0.31 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 179.12 3hrf n ASP 216 N -3.91 1.46 -0.72 3.06 8.00 -1.26 -4.94 116.55 118.24 3hrf n ASP 216 Ca -0.02 -1.50 -0.09 0.00 0.71 0.00 0.00 54.79 53.90 3hrf n ASP 216 Cb 0.14 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 3hrf n ASP 216 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3hrf n MET 217 N 0.15 -0.62 -2.63 -1.24 2.81 -0.24 -4.57 117.12 110.79 3hrf n MET 217 Ca 0.19 0.74 -0.31 0.00 -1.81 0.00 0.00 57.70 56.51 3hrf n MET 217 Cb 0.35 -4.62 -0.03 0.00 -0.71 0.00 0.00 33.22 28.20 3hrf n MET 217 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 3hrf s HIS 218 N -2.34 3.46 0.54 2.03 3.76 -1.26 -4.81 115.29 116.66 3hrf s HIS 218 Ca 0.00 1.27 -0.18 0.00 -0.15 0.00 0.00 55.06 56.00 3hrf s HIS 218 Cb 0.00 -2.63 -0.06 0.00 1.11 0.00 0.00 32.58 31.00 3hrf s HIS 218 CO 0.00 -0.24 1.06 0.96 -0.85 0.00 0.00 174.74 175.68 3hrf s ILE 219 N -2.49 3.67 -0.31 0.60 -4.36 -1.26 -1.00 121.20 116.06 3hrf s ILE 219 Ca 0.55 0.95 -0.02 0.00 -0.26 0.00 0.00 60.65 61.87 3hrf s ILE 219 Cb -0.10 -3.39 0.12 0.00 1.25 0.00 0.00 42.46 40.34 3hrf s ILE 219 CO 0.31 -0.32 0.19 -1.10 0.24 0.00 0.00 174.94 174.26 3hrf s GLN 220 N -3.55 0.30 0.24 0.37 -1.52 0.61 -4.40 119.66 111.72 3hrf s GLN 220 Ca 0.67 -0.64 -0.30 0.00 -1.95 0.00 0.00 55.36 53.14 3hrf s GLN 220 Cb -0.18 -1.08 -0.09 0.00 -0.22 0.00 0.00 33.01 31.44 3hrf s GLN 220 CO 0.27 -1.07 1.08 0.42 -0.25 0.00 0.00 175.29 175.74 3hrf s ILE 221 N 1.91 3.68 0.24 1.08 1.01 0.02 -0.60 121.20 128.53 3hrf s ILE 221 Ca 0.11 1.62 0.03 0.00 0.00 0.00 0.00 60.65 62.41 3hrf s ILE 221 Cb -0.17 -4.03 -0.01 0.00 0.01 0.00 0.00 42.46 38.26 3hrf s ILE 221 CO -0.27 0.36 0.12 1.07 0.00 0.00 0.00 174.94 176.22 3hrf n THR 222 N 1.57 0.00 -1.83 2.92 5.66 -0.39 -1.51 114.28 120.69 3hrf n THR 222 Ca -0.00 -1.53 -0.01 0.00 -3.05 0.00 0.00 64.05 59.46 3hrf n THR 222 Cb 0.45 0.62 0.00 0.00 -1.55 0.00 0.00 70.33 69.86 3hrf n THR 222 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3hrf n ASP 223 N -1.87 -3.41 -0.57 1.09 2.03 -1.26 -4.87 116.55 107.69 3hrf n ASP 223 Ca -0.01 0.09 0.05 0.00 0.52 0.00 0.00 54.79 55.44 3hrf n ASP 223 Cb 0.39 -2.04 0.12 0.00 -0.72 0.00 0.00 41.12 38.86 3hrf n ASP 223 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3hrf n PHE 224 N -0.66 0.30 0.29 -0.67 3.72 -1.26 -4.44 117.46 114.74 3hrf n PHE 224 Ca 0.02 -0.33 0.16 0.00 -0.05 0.00 0.00 57.45 57.26 3hrf n PHE 224 Cb 0.22 -0.02 0.88 0.00 -0.94 0.00 0.00 39.48 39.62 3hrf n PHE 224 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3hrf h GLY 225 N 2.06 0.00 -1.43 1.37 0.00 -1.86 -2.40 103.07 100.81 3hrf h GLY 225 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hrf h GLY 225 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 3hrf n THR 226 N -3.43 0.63 -1.62 4.70 -2.24 -1.26 -4.53 114.28 106.53 3hrf n THR 226 Ca -0.02 -0.81 -0.30 0.00 -2.27 0.00 0.00 64.05 60.65 3hrf n THR 226 Cb 0.19 0.80 0.09 0.00 -2.10 0.00 0.00 70.33 69.30 3hrf n THR 226 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hrf s ALA 227 N -1.06 2.34 -0.03 6.98 0.00 -0.90 -4.62 121.76 124.46 3hrf s ALA 227 Ca 0.24 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.93 3hrf s ALA 227 Cb 0.14 -3.08 0.03 0.00 0.00 0.00 0.00 23.12 20.20 3hrf s ALA 227 CO 0.19 -1.67 0.01 0.21 0.00 0.00 0.00 175.76 174.50 3hrf s LYS 228 N -5.22 0.24 -0.34 0.00 2.47 -0.31 -4.99 119.74 111.59 3hrf s LYS 228 Ca 0.61 0.12 -0.21 0.00 -1.56 0.00 0.00 55.97 54.92 3hrf s LYS 228 Cb -0.14 -0.48 0.00 0.00 -1.46 0.00 0.00 37.83 35.75 3hrf s LYS 228 CO 0.54 -0.17 0.69 0.08 0.16 0.00 0.00 175.35 176.65 3hrf s VAL 229 N 1.18 4.85 0.36 4.02 1.01 -1.26 -1.11 120.40 129.45 3hrf s VAL 229 Ca -0.08 0.79 -0.25 0.00 0.00 0.00 0.00 61.98 62.44 3hrf s VAL 229 Cb -0.13 -4.10 -0.10 0.00 0.00 0.00 0.00 36.38 32.05 3hrf s VAL 229 CO -0.02 -0.29 0.98 -0.76 0.00 0.00 0.00 175.10 175.01 3hrf s LEU 230 N 2.81 4.22 -0.23 3.92 1.43 0.83 -5.00 118.68 126.66 3hrf s LEU 230 Ca 0.27 1.89 -0.26 0.00 -1.03 0.00 0.00 54.13 55.01 3hrf s LEU 230 Cb -0.14 -4.13 -0.00 0.00 0.03 0.00 0.00 46.19 41.94 3hrf s LEU 230 CO 0.14 -0.25 0.87 -0.55 0.23 0.00 0.00 176.35 176.80 3hrf s SER 231 N -1.66 6.90 0.20 2.29 0.15 -1.26 -4.87 113.70 115.44 3hrf s SER 231 Ca 0.54 1.12 -0.08 0.00 0.70 0.00 0.00 55.95 58.23 3hrf s SER 231 Cb -0.19 -2.46 0.11 0.00 -1.71 0.00 0.00 66.02 61.77 3hrf s SER 231 CO 0.24 -0.52 1.70 -0.65 1.20 0.00 0.00 173.24 175.20 3hrf h PRO 232 N 7.57 1.13 -0.75 5.44 0.11 -1.94 -2.15 132.00 141.41 3hrf h PRO 232 Ca -0.23 -0.29 0.18 0.00 0.11 0.00 0.00 66.00 65.76 3hrf h PRO 232 Cb 1.09 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.02 3hrf h PRO 232 CO 0.89 1.02 0.52 1.49 -0.21 0.00 0.00 178.00 181.70 3hrf h GLU 233 N 1.06 0.24 -0.27 1.05 4.22 -2.00 -0.60 114.58 118.28 3hrf h GLU 233 Ca 0.21 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.64 3hrf h GLU 233 Cb 0.42 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3hrf h GLU 233 CO 0.01 0.16 0.00 -1.13 -2.18 0.00 0.00 179.01 175.87 3hrf n SER 234 N -4.43 2.96 -3.99 1.04 3.41 -1.19 -4.97 113.62 106.45 3hrf n SER 234 Ca 0.15 -2.24 -0.31 0.00 -0.26 0.00 0.00 58.87 56.20 3hrf n SER 234 Cb 0.66 -0.27 0.01 0.00 -0.26 0.00 0.00 64.21 64.35 3hrf n SER 234 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3hrf n LYS 235 N 0.09 -4.83 -1.89 4.33 0.00 -0.23 -4.86 118.16 110.76 3hrf n LYS 235 Ca 0.12 0.53 -0.42 0.00 -0.00 0.00 0.00 58.31 58.54 3hrf n LYS 235 Cb 0.50 -5.35 -0.03 0.00 -0.00 0.00 0.00 35.03 30.15 3hrf n LYS 235 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 3hrf s GLN 236 N -6.68 4.19 -0.07 -1.58 0.74 -0.82 -4.91 119.66 110.53 3hrf s GLN 236 Ca 0.64 2.39 0.09 0.00 0.05 0.00 0.00 55.36 58.53 3hrf s GLN 236 Cb -0.33 -3.45 -0.12 0.00 1.10 0.00 0.00 33.01 30.21 3hrf s GLN 236 CO 0.86 -0.71 0.08 0.00 -0.55 0.00 0.00 175.29 174.96 3hrf n ALA 237 N 5.07 1.91 -2.38 1.58 0.00 -1.26 -4.56 120.51 120.88 3hrf n ALA 237 Ca 0.16 -0.52 -0.29 0.00 0.00 0.00 0.00 53.44 52.78 3hrf n ALA 237 Cb 0.39 -0.04 -0.14 0.00 0.00 0.00 0.00 19.45 19.66 3hrf n ALA 237 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hrf s ARG 238 N -2.34 1.62 0.09 0.00 3.00 -1.26 -4.30 118.95 115.76 3hrf s ARG 238 Ca -0.04 -1.16 0.08 0.00 0.00 0.00 0.00 55.73 54.61 3hrf s ARG 238 Cb 0.04 -1.88 -0.03 0.00 0.00 0.00 0.00 34.95 33.08 3hrf s ARG 238 CO 0.39 0.47 -0.22 0.00 0.00 0.00 0.00 175.30 175.94 3hrf s ALA 239 N -0.88 1.88 -0.82 2.13 0.00 -0.02 -4.95 121.76 119.10 3hrf s ALA 239 Ca 0.12 -1.22 -0.02 0.00 0.00 0.00 0.00 51.96 50.83 3hrf s ALA 239 Cb -0.10 -0.30 0.20 0.00 0.00 0.00 0.00 23.12 22.93 3hrf s ALA 239 CO 0.03 0.40 0.69 -0.80 0.00 0.00 0.00 175.76 176.08 3hrf s ASN 240 N -1.71 5.81 -0.31 0.00 0.01 -1.26 -1.36 114.94 116.13 3hrf s ASN 240 Ca 0.08 -3.45 -0.02 0.00 -0.71 0.00 0.00 52.86 48.76 3hrf s ASN 240 Cb -0.10 -1.90 0.12 0.00 0.41 0.00 0.00 41.25 39.78 3hrf s ASN 240 CO 0.04 -0.25 0.22 0.12 -1.51 0.00 0.00 177.10 175.72 3hrf s PHE 242 N -0.95 0.08 0.20 2.20 5.36 -1.26 -4.87 117.98 118.74 3hrf s PHE 242 Ca 0.24 -0.78 0.02 0.00 -0.96 0.00 0.00 56.93 55.45 3hrf s PHE 242 Cb -0.11 -0.72 -0.05 0.00 -0.34 0.00 0.00 43.02 41.81 3hrf s PHE 242 CO -0.10 -0.87 0.03 0.14 -1.46 0.00 0.00 175.22 172.96 3hrf s VAL 243 N 1.95 0.67 -1.19 3.12 -7.23 -1.26 -5.14 120.40 111.32 3hrf s VAL 243 Ca 0.11 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 3hrf s VAL 243 Cb -0.16 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.48 3hrf s VAL 243 CO -0.26 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 174.82 3hrf n GLY 244 N -0.32 0.51 3.03 2.32 0.00 -1.26 -4.93 105.19 104.54 3hrf n GLY 244 Ca -0.04 -2.21 -0.26 0.00 0.00 0.00 0.00 46.02 43.51 3hrf n GLY 244 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hrf s THR 245 N -0.58 1.21 0.27 2.61 2.01 -1.26 -5.04 115.64 114.85 3hrf s THR 245 Ca 0.00 -0.51 -0.04 0.00 0.31 0.00 0.00 61.69 61.45 3hrf s THR 245 Cb 0.00 -1.11 0.33 0.00 0.01 0.00 0.00 72.50 71.72 3hrf s THR 245 CO 0.00 0.38 1.61 0.00 -0.69 0.00 0.00 174.62 175.92 3hrf h ALA 246 N 7.12 0.89 0.00 7.40 0.00 -1.97 0.62 119.26 133.33 3hrf h ALA 246 Ca -0.30 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hrf h ALA 246 Cb 1.18 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 3hrf h ALA 246 CO 0.47 -0.46 -0.05 1.96 0.00 0.00 0.00 179.25 181.17 3hrf h GLN 247 N 0.08 0.00 -0.03 0.00 7.50 -1.97 -2.87 115.11 117.82 3hrf h GLN 247 Ca 0.47 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.62 3hrf h GLN 247 Cb 0.87 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.40 3hrf h GLN 247 CO -0.76 0.05 0.00 0.66 -1.50 0.00 0.00 178.83 177.28 3hrf n TYR 248 N -3.63 0.03 -2.25 2.96 4.01 0.15 -4.69 117.16 113.73 3hrf n TYR 248 Ca -0.02 -0.04 -0.39 0.00 -0.16 0.00 0.00 57.90 57.29 3hrf n TYR 248 Cb 0.15 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.16 3hrf n TYR 248 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3hrf s VAL 249 N -0.73 3.05 0.41 -0.72 -7.23 -0.80 -4.30 120.40 110.08 3hrf s VAL 249 Ca 0.10 0.91 -0.15 0.00 -1.81 0.00 0.00 61.98 61.03 3hrf s VAL 249 Cb 0.07 -3.52 -0.08 0.00 0.56 0.00 0.00 36.38 33.41 3hrf s VAL 249 CO 0.11 0.11 0.84 -0.94 -0.31 0.00 0.00 175.10 174.91 3hrf s SER 250 N -1.01 6.68 0.40 4.85 1.04 -1.26 -4.97 113.70 119.43 3hrf s SER 250 Ca 0.56 1.37 0.08 0.00 0.48 0.00 0.00 55.95 58.43 3hrf s SER 250 Cb -0.33 -2.42 0.85 0.00 0.10 0.00 0.00 66.02 64.23 3hrf s SER 250 CO 0.41 -0.39 2.02 1.55 0.98 0.00 0.00 173.24 177.81 3hrf h PRO 251 N 1.54 0.58 -0.55 4.02 0.13 -1.89 -2.63 132.00 133.20 3hrf h PRO 251 Ca -0.48 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.57 3hrf h PRO 251 Cb 1.18 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 32.16 3hrf h PRO 251 CO 0.63 0.38 0.13 1.05 -0.23 0.00 0.00 178.00 179.97 3hrf h GLU 252 N 0.59 0.85 -0.39 0.86 9.09 -1.84 0.51 114.58 124.25 3hrf h GLU 252 Ca 0.22 -0.18 -0.06 0.00 0.05 0.00 0.00 59.36 59.39 3hrf h GLU 252 Cb 0.13 -0.13 -0.02 0.00 -1.65 0.00 0.00 28.75 27.08 3hrf h GLU 252 CO -0.06 0.77 -0.02 1.25 0.05 0.00 0.00 179.01 181.00 3hrf h LEU 253 N 0.82 0.60 -0.17 3.06 5.85 -1.19 0.40 115.31 124.67 3hrf h LEU 253 Ca 0.18 -0.13 -0.23 0.00 0.84 0.00 0.00 57.88 58.54 3hrf h LEU 253 Cb 0.30 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.18 3hrf h LEU 253 CO -0.00 0.68 -0.84 -0.07 -0.34 0.00 0.00 178.44 177.87 3hrf h LEU 254 N 0.59 0.82 0.02 2.25 3.38 -1.14 -3.00 115.31 118.24 3hrf h LEU 254 Ca 0.12 -0.57 -0.36 0.00 0.09 0.00 0.00 57.88 57.15 3hrf h LEU 254 Cb 0.41 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 3hrf h LEU 254 CO 0.02 1.37 -2.04 0.35 0.09 0.00 0.00 178.44 178.22 3hrf n THR 255 N -3.88 1.57 0.91 0.22 -2.24 0.08 -4.46 114.28 106.48 3hrf n THR 255 Ca -0.08 -0.35 0.12 0.00 -2.27 0.00 0.00 64.05 61.47 3hrf n THR 255 Cb 0.78 -1.83 0.14 0.00 -2.10 0.00 0.00 70.33 67.32 3hrf n THR 255 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hrf n GLU 256 N -4.01 0.06 -2.06 -0.78 4.71 0.13 -4.96 120.64 113.74 3hrf n GLU 256 Ca -0.42 0.00 -0.16 0.00 -0.01 0.00 0.00 57.16 56.57 3hrf n GLU 256 Cb 0.87 -1.53 -0.03 0.00 -1.01 0.00 0.00 31.44 29.75 3hrf n GLU 256 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 3hrf n LYS 257 N -1.61 -1.25 -3.95 3.49 0.00 -0.67 -4.97 118.16 109.20 3hrf n LYS 257 Ca 0.05 0.88 -0.09 0.00 -0.00 0.00 0.00 58.31 59.15 3hrf n LYS 257 Cb 0.36 -5.22 -0.09 0.00 -0.00 0.00 0.00 35.03 30.08 3hrf n LYS 257 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 3hrf s SER 258 N -2.44 0.24 0.25 -5.58 1.04 -1.23 -4.68 113.70 101.31 3hrf s SER 258 Ca 0.00 -0.67 0.10 0.00 0.48 0.00 0.00 55.95 55.86 3hrf s SER 258 Cb 0.00 0.25 -0.05 0.00 0.10 0.00 0.00 66.02 66.32 3hrf s SER 258 CO 0.00 -0.58 -0.10 0.00 0.98 0.00 0.00 173.24 173.54 3hrf s ALA 259 N -3.21 2.94 0.30 5.32 0.00 -0.46 -2.56 121.76 124.09 3hrf s ALA 259 Ca 0.00 -1.69 0.05 0.00 0.00 0.00 0.00 51.96 50.32 3hrf s ALA 259 Cb 0.02 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 3hrf s ALA 259 CO -0.07 0.32 0.23 0.00 0.00 0.00 0.00 175.76 176.24 3hrf h LYS 261 N 2.25 0.69 0.00 0.00 1.57 -1.94 0.44 116.57 119.58 3hrf h LYS 261 Ca -0.28 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 3hrf h LYS 261 Cb 1.24 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 3hrf h LYS 261 CO 0.42 0.46 -0.05 1.03 -0.57 0.00 0.00 179.45 180.74 3hrf h SER 262 N 0.71 0.00 -0.80 0.86 0.87 -1.94 -1.46 113.55 111.79 3hrf h SER 262 Ca 0.49 0.00 0.09 0.00 -1.23 0.00 0.00 61.79 61.14 3hrf h SER 262 Cb 0.81 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.71 3hrf h SER 262 CO -0.25 0.05 0.52 0.28 -0.53 0.00 0.00 176.83 176.90 3hrf h SER 263 N 0.00 0.69 0.19 6.23 0.02 -1.26 -0.89 113.55 118.52 3hrf h SER 263 Ca -0.00 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 3hrf h SER 263 Cb 0.18 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3hrf h SER 263 CO 0.01 0.41 -0.25 0.44 -1.14 0.00 0.00 176.83 176.30 3hrf h ASP 264 N 0.76 0.11 0.60 3.07 3.32 -1.37 -2.67 116.42 120.23 3hrf h ASP 264 Ca 0.36 -0.03 -0.16 0.00 0.02 0.00 0.00 57.03 57.23 3hrf h ASP 264 Cb 0.40 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3hrf h ASP 264 CO -0.14 0.36 -0.72 -0.07 -1.72 0.00 0.00 179.24 176.96 3hrf h LEU 265 N 0.10 0.12 0.17 1.55 3.38 -1.26 0.20 115.31 119.56 3hrf h LEU 265 Ca 0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3hrf h LEU 265 Cb 0.50 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3hrf h LEU 265 CO 0.04 0.79 -0.08 -0.25 0.09 0.00 0.00 178.44 179.03 3hrf h TRP 266 N 0.06 -0.21 -0.90 1.13 2.91 -1.20 -1.41 115.95 116.33 3hrf h TRP 266 Ca -0.01 -0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.04 3hrf h TRP 266 Cb 1.27 0.07 -0.05 0.00 -0.51 0.00 0.00 29.16 29.93 3hrf h TRP 266 CO 0.01 -0.13 0.59 0.00 -1.03 0.00 0.00 178.44 177.88 3hrf h ALA 267 N 0.61 1.45 -0.51 2.65 0.00 -1.27 -1.86 119.26 120.33 3hrf h ALA 267 Ca -0.02 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3hrf h ALA 267 Cb 0.17 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3hrf h ALA 267 CO 0.04 0.45 0.29 1.25 0.00 0.00 0.00 179.25 181.28 3hrf h LEU 268 N 1.11 0.46 -0.37 0.00 5.85 -0.71 -0.38 115.31 121.26 3hrf h LEU 268 Ca 0.37 0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.15 3hrf h LEU 268 Cb 0.06 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 3hrf h LEU 268 CO -0.12 0.32 0.07 1.23 -0.34 0.00 0.00 178.44 179.60 3hrf h GLY 269 N 0.57 0.42 0.62 3.75 0.00 -0.55 0.36 103.07 108.26 3hrf h GLY 269 Ca 0.21 -0.02 0.08 0.00 0.00 0.00 0.00 47.33 47.60 3hrf h GLY 269 CO -0.11 -0.03 0.49 0.00 0.00 0.00 0.00 176.54 176.89 3hrf h ILE 271 N 0.86 1.32 -0.39 0.00 2.04 -0.48 -0.12 117.51 120.75 3hrf h ILE 271 Ca 0.38 -1.46 0.01 0.00 1.00 0.00 0.00 64.86 64.79 3hrf h ILE 271 Cb 0.27 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 3hrf h ILE 271 CO -0.21 0.45 0.25 0.40 0.00 0.00 0.00 178.15 179.04 3hrf h ILE 272 N 0.29 1.08 -0.52 -0.67 2.04 -0.83 0.33 117.51 119.22 3hrf h ILE 272 Ca 0.03 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.77 3hrf h ILE 272 Cb 0.84 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 3hrf h ILE 272 CO 0.07 0.09 0.26 0.22 0.00 0.00 0.00 178.15 178.78 3hrf h TYR 273 N 0.50 0.47 -0.64 1.37 5.03 -1.12 -2.52 116.97 120.05 3hrf h TYR 273 Ca 0.15 0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.41 3hrf h TYR 273 Cb -0.03 -0.13 -0.03 0.00 1.55 0.00 0.00 36.73 38.09 3hrf h TYR 273 CO -0.06 0.22 0.14 0.37 -1.32 0.00 0.00 178.16 177.51 3hrf h GLN 274 N 0.50 1.03 -0.90 1.82 4.15 -0.26 0.77 115.11 122.22 3hrf h GLN 274 Ca 0.23 -0.24 0.08 0.00 0.77 0.00 0.00 58.65 59.49 3hrf h GLN 274 Cb 0.16 -0.14 -0.07 0.00 0.21 0.00 0.00 27.48 27.64 3hrf h GLN 274 CO -0.17 0.92 0.56 -0.07 -1.93 0.00 0.00 178.83 178.14 3hrf h LEU 275 N 0.97 0.86 0.10 -2.39 3.38 -0.54 0.30 115.31 117.99 3hrf h LEU 275 Ca 0.20 0.03 -0.25 0.00 0.09 0.00 0.00 57.88 57.95 3hrf h LEU 275 Cb 0.37 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3hrf h LEU 275 CO 0.00 0.52 -1.28 0.58 0.09 0.00 0.00 178.44 178.35 3hrf h VAL 276 N 0.98 1.10 0.00 1.22 2.07 -1.18 0.51 116.25 120.95 3hrf h VAL 276 Ca 0.41 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.54 3hrf h VAL 276 Cb 0.27 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 3hrf h VAL 276 CO -0.21 0.67 -0.61 0.00 0.02 0.00 0.00 177.57 177.45 3hrf h ALA 277 N -0.06 0.69 0.00 1.67 0.00 -0.88 -3.42 119.26 117.25 3hrf h ALA 277 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3hrf h ALA 277 Cb 1.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.47 3hrf h ALA 277 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 3hrf n GLY 278 N 1.16 3.08 3.16 0.00 0.00 0.09 -4.96 105.19 107.73 3hrf n GLY 278 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 3hrf n GLY 278 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hrf s LEU 279 N 0.00 2.37 0.86 0.99 1.43 -1.25 -4.90 118.68 118.17 3hrf s LEU 279 Ca 0.00 -0.75 -0.11 0.00 -1.03 0.00 0.00 54.13 52.23 3hrf s LEU 279 Cb 0.00 -0.32 0.11 0.00 0.03 0.00 0.00 46.19 46.00 3hrf s LEU 279 CO 0.00 -0.23 1.09 -2.16 0.23 0.00 0.00 176.35 175.29 3hrf s PRO 280 N -2.50 1.58 0.21 1.29 0.04 -1.26 -3.88 135.00 130.48 3hrf s PRO 280 Ca 0.03 0.82 0.03 0.00 0.04 0.00 0.00 61.00 61.91 3hrf s PRO 280 Cb -0.05 -1.85 0.17 0.00 0.04 0.00 0.00 34.50 32.82 3hrf s PRO 280 CO 0.00 -2.02 1.51 -1.00 0.04 0.00 0.00 177.00 175.53 3hrf h PRO 281 N -1.39 0.27 -4.42 0.56 0.13 -1.90 -3.39 132.00 121.86 3hrf h PRO 281 Ca -0.48 -0.20 -0.72 0.00 -0.87 0.00 0.00 66.00 63.73 3hrf h PRO 281 Cb 1.27 0.04 -0.28 0.00 0.13 0.00 0.00 31.00 32.16 3hrf h PRO 281 CO 0.55 0.84 -0.45 -0.06 -0.23 0.00 0.00 178.00 178.65 3hrf s PHE 282 N -3.64 3.35 -0.03 1.56 0.08 -1.26 -4.73 117.98 113.31 3hrf s PHE 282 Ca -0.04 -1.59 0.05 0.00 0.12 0.00 0.00 56.93 55.47 3hrf s PHE 282 Cb 0.11 -3.06 -0.01 0.00 -0.57 0.00 0.00 43.02 39.50 3hrf s PHE 282 CO 0.81 -0.87 -0.17 1.03 -0.10 0.00 0.00 175.22 175.92 3hrf s ARG 283 N 1.42 1.58 0.04 0.44 0.52 -1.26 -4.75 118.95 116.93 3hrf s ARG 283 Ca 0.04 -0.60 -0.29 0.00 -0.52 0.00 0.00 55.73 54.36 3hrf s ARG 283 Cb -0.24 -1.44 0.10 0.00 0.52 0.00 0.00 34.95 33.89 3hrf s ARG 283 CO 0.02 0.30 1.15 0.00 0.02 0.00 0.00 175.30 176.79 3hrf s ALA 284 N -0.17 -2.00 -0.78 2.13 0.00 -1.26 -4.83 121.76 114.85 3hrf s ALA 284 Ca 0.01 0.54 0.23 0.00 0.00 0.00 0.00 51.96 52.75 3hrf s ALA 284 Cb -0.09 0.44 0.91 0.00 0.00 0.00 0.00 23.12 24.38 3hrf s ALA 284 CO 0.01 -1.02 1.72 0.41 0.00 0.00 0.00 175.76 176.89 3hrf n GLY 285 N -0.45 -1.38 3.34 0.00 0.00 -1.26 -4.82 105.19 100.62 3hrf n GLY 285 Ca -0.07 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 3hrf n GLY 285 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hrf s ASN 286 N -3.77 -0.13 0.20 1.61 2.20 -1.26 -5.07 114.94 108.73 3hrf s ASN 286 Ca 0.09 -0.50 -0.10 0.00 -0.94 0.00 0.00 52.86 51.41 3hrf s ASN 286 Cb 0.12 0.47 0.23 0.00 -2.00 0.00 0.00 41.25 40.07 3hrf s ASN 286 CO 0.45 -0.88 1.79 -0.33 -2.94 0.00 0.00 177.10 175.19 3hrf h GLU 287 N 2.43 0.56 -0.75 3.55 5.08 -2.00 -2.49 114.58 120.96 3hrf h GLU 287 Ca -0.33 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 57.98 3hrf h GLU 287 Cb 1.24 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 3hrf h GLU 287 CO 0.47 0.37 0.38 0.78 -1.00 0.00 0.00 179.01 180.00 3hrf h GLY 288 N 0.57 1.15 1.16 -3.84 0.00 -1.99 0.13 103.07 100.25 3hrf h GLY 288 Ca 0.29 -0.56 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 3hrf h GLY 288 CO -0.21 0.53 -0.01 1.41 0.00 0.00 0.00 176.54 178.26 3hrf h LEU 289 N 1.05 0.98 -0.20 3.11 3.38 -1.91 -1.71 115.31 120.02 3hrf h LEU 289 Ca 0.26 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hrf h LEU 289 Cb 0.09 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3hrf h LEU 289 CO -0.04 1.04 0.13 0.40 0.09 0.00 0.00 178.44 180.06 3hrf h ILE 290 N 0.92 1.05 -0.40 1.22 2.04 -0.92 -2.27 117.51 119.16 3hrf h ILE 290 Ca 0.16 -0.09 0.06 0.00 1.00 0.00 0.00 64.86 65.99 3hrf h ILE 290 Cb 0.55 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 3hrf h ILE 290 CO 0.03 0.05 0.10 -0.26 0.00 0.00 0.00 178.15 178.07 3hrf h PHE 291 N 0.26 0.17 -0.50 1.37 0.04 -0.47 0.00 116.94 117.82 3hrf h PHE 291 Ca 0.07 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.87 3hrf h PHE 291 Cb -0.03 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 3hrf h PHE 291 CO -0.07 0.04 0.33 0.00 -0.60 0.00 0.00 178.31 178.02 3hrf h ALA 292 N 1.29 1.66 -0.13 2.45 0.00 -1.17 -1.98 119.26 121.37 3hrf h ALA 292 Ca 0.19 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.87 3hrf h ALA 292 Cb 0.21 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hrf h ALA 292 CO -0.23 0.31 -0.71 0.87 0.00 0.00 0.00 179.25 179.49 3hrf h LYS 293 N 0.66 0.60 -0.21 0.00 1.57 -0.67 -3.23 116.57 115.28 3hrf h LYS 293 Ca 0.18 -0.46 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3hrf h LYS 293 Cb -0.06 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3hrf h LYS 293 CO -0.04 1.09 0.13 0.82 -0.57 0.00 0.00 179.45 180.87 3hrf h ILE 294 N 0.42 1.08 0.00 1.86 2.04 -0.33 0.12 117.51 122.71 3hrf h ILE 294 Ca -0.03 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3hrf h ILE 294 Cb 1.30 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 3hrf h ILE 294 CO 0.13 0.08 0.00 0.16 0.00 0.00 0.00 178.15 178.52 3hrf h ILE 295 N 0.26 0.00 -0.03 -0.67 3.07 -1.48 -0.99 117.51 117.67 3hrf h ILE 295 Ca 0.08 -0.36 0.00 0.00 1.55 0.00 0.00 64.86 66.13 3hrf h ILE 295 Cb 0.02 1.20 0.00 0.00 -0.27 0.00 0.00 36.82 37.77 3hrf h ILE 295 CO -0.01 0.00 -0.08 0.29 -1.05 0.00 0.00 178.15 177.29 3hrf n LYS 296 N -2.41 1.99 -3.73 0.16 5.02 -0.99 -4.96 118.16 113.23 3hrf n LYS 296 Ca 0.03 -1.69 -0.22 0.00 -2.02 0.00 0.00 58.31 54.41 3hrf n LYS 296 Cb 0.30 -1.43 0.02 0.00 -0.02 0.00 0.00 35.03 33.90 3hrf n LYS 296 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3hrf n LEU 297 N 1.04 -2.99 -4.39 -0.35 7.94 -0.38 -4.90 117.00 112.96 3hrf n LEU 297 Ca 0.12 -0.85 -0.45 0.00 -1.11 0.00 0.00 56.01 53.72 3hrf n LEU 297 Cb 0.54 -2.59 -0.03 0.00 0.53 0.00 0.00 43.42 41.87 3hrf n LEU 297 CO 0.16 0.41 0.67 -0.70 -1.11 0.00 0.00 177.39 176.82 3hrf s GLU 298 N -6.05 3.46 0.21 1.96 2.56 0.32 -4.95 118.70 116.22 3hrf s GLU 298 Ca 0.02 -1.85 -0.20 0.00 0.00 0.00 0.00 54.97 52.94 3hrf s GLU 298 Cb -0.01 -4.59 0.03 0.00 2.00 0.00 0.00 34.13 31.56 3hrf s GLU 298 CO 0.82 -1.57 0.60 1.52 -0.56 0.00 0.00 175.26 176.07 3hrf s TYR 299 N 1.93 -0.21 0.11 5.30 1.13 -1.26 -4.79 117.35 119.55 3hrf s TYR 299 Ca 0.23 -0.13 -0.09 0.00 -1.41 0.00 0.00 57.07 55.66 3hrf s TYR 299 Cb -0.11 0.51 -0.00 0.00 -1.10 0.00 0.00 41.96 41.26 3hrf s TYR 299 CO -0.05 -1.00 0.22 -0.51 -2.51 0.00 0.00 175.55 171.70 3hrf s ASP 300 N -2.87 0.09 0.14 -0.18 1.11 -1.26 -5.16 116.67 108.54 3hrf s ASP 300 Ca 0.08 -0.68 -0.18 0.00 0.18 0.00 0.00 52.55 51.95 3hrf s ASP 300 Cb -0.02 0.37 -0.07 0.00 1.07 0.00 0.00 42.92 44.26 3hrf s ASP 300 CO -0.02 -0.77 0.62 -0.36 1.18 0.00 0.00 175.17 175.82 3hrf s PHE 301 N -3.88 3.71 0.99 4.23 0.40 -1.26 -5.06 117.98 117.11 3hrf s PHE 301 Ca 0.07 1.27 -0.12 0.00 -0.60 0.00 0.00 56.93 57.55 3hrf s PHE 301 Cb 0.04 -2.51 0.18 0.00 0.51 0.00 0.00 43.02 41.25 3hrf s PHE 301 CO -0.09 0.47 1.08 -1.25 0.70 0.00 0.00 175.22 176.13 3hrf s PRO 302 N -1.61 0.52 0.52 0.24 0.04 -1.26 -5.00 135.00 128.45 3hrf s PRO 302 Ca 0.36 0.80 -0.21 0.00 0.04 0.00 0.00 61.00 61.99 3hrf s PRO 302 Cb -0.18 -1.72 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 3hrf s PRO 302 CO 0.20 -2.74 1.20 -1.83 0.04 0.00 0.00 177.00 173.87 3hrf s GLU 303 N -4.82 3.40 0.00 4.56 1.03 -1.26 -3.71 118.70 117.90 3hrf s GLU 303 Ca 0.65 1.83 0.00 0.00 0.03 0.00 0.00 54.97 57.49 3hrf s GLU 303 Cb -0.20 -2.20 0.00 0.00 -0.80 0.00 0.00 34.13 30.93 3hrf s GLU 303 CO 0.59 -0.86 0.00 1.63 -1.33 0.00 0.00 175.26 175.29 3hrf n LYS 304 N -0.98 0.00 -1.94 -4.83 5.02 -1.26 -5.01 118.16 109.16 3hrf n LYS 304 Ca 0.10 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.97 3hrf n LYS 304 Cb 0.48 -2.74 -0.03 0.00 -0.02 0.00 0.00 35.03 32.72 3hrf n LYS 304 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3hrf s PHE 305 N -2.39 2.99 0.02 2.13 2.19 -1.24 -4.89 117.98 116.79 3hrf s PHE 305 Ca 0.00 0.60 -0.32 0.00 0.33 0.00 0.00 56.93 57.54 3hrf s PHE 305 Cb 0.00 -3.92 -0.11 0.00 -1.31 0.00 0.00 43.02 37.67 3hrf s PHE 305 CO 0.00 -3.44 1.85 1.19 1.83 0.00 0.00 175.22 176.66 3hrf n PHE 306 N 4.16 2.44 -0.33 10.12 3.72 -1.26 -4.80 117.46 131.51 3hrf n PHE 306 Ca 0.14 -0.09 0.08 0.00 -0.05 0.00 0.00 57.45 57.53 3hrf n PHE 306 Cb 0.39 -2.70 0.24 0.00 -0.94 0.00 0.00 39.48 36.47 3hrf n PHE 306 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3hrf h PRO 307 N 8.95 0.77 -0.20 -1.08 0.11 -1.99 0.82 132.00 139.38 3hrf h PRO 307 Ca -0.48 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.45 3hrf h PRO 307 Cb 1.25 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3hrf h PRO 307 CO 0.94 0.51 -0.45 0.87 -0.21 0.00 0.00 178.00 179.65 3hrf h LYS 308 N 0.79 0.50 -0.56 1.05 1.57 -1.98 -1.59 116.57 116.35 3hrf h LYS 308 Ca 0.49 -0.27 -0.09 0.00 -1.87 0.00 0.00 60.65 58.91 3hrf h LYS 308 Cb 0.62 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 3hrf h LYS 308 CO -0.32 0.85 -0.01 0.00 -0.57 0.00 0.00 179.45 179.40 3hrf h ALA 309 N 1.11 0.76 -0.36 3.86 0.00 -1.61 -2.57 119.26 120.43 3hrf h ALA 309 Ca 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3hrf h ALA 309 Cb 0.95 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3hrf h ALA 309 CO 0.08 0.60 0.23 -0.09 0.00 0.00 0.00 179.25 180.07 3hrf h ARG 310 N 0.89 0.49 -0.69 0.00 2.43 -0.53 0.38 114.38 117.35 3hrf h ARG 310 Ca 0.16 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.38 3hrf h ARG 310 Cb 0.56 -0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.93 3hrf h ARG 310 CO 0.03 0.35 0.34 0.22 -1.51 0.00 0.00 179.97 179.40 3hrf h ASP 311 N 0.49 0.44 -0.28 -3.80 1.82 -1.24 -0.94 116.42 112.91 3hrf h ASP 311 Ca 0.13 0.06 -0.03 0.00 -0.39 0.00 0.00 57.03 56.80 3hrf h ASP 311 Cb -0.03 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 39.96 3hrf h ASP 311 CO -0.03 0.26 0.04 0.25 -1.61 0.00 0.00 179.24 178.15 3hrf h LEU 312 N 0.59 0.45 -0.68 2.28 5.85 -0.99 -2.17 115.31 120.63 3hrf h LEU 312 Ca 0.34 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3hrf h LEU 312 Cb 0.34 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 3hrf h LEU 312 CO -0.26 0.60 0.43 0.58 -0.34 0.00 0.00 178.44 179.45 3hrf h VAL 313 N 0.28 1.11 0.00 1.05 2.07 -0.59 -1.78 116.25 118.39 3hrf h VAL 313 Ca 0.08 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 3hrf h VAL 313 Cb 0.34 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3hrf h VAL 313 CO 0.01 0.16 -0.10 -0.33 0.02 0.00 0.00 177.57 177.33 3hrf h GLU 314 N 0.86 0.00 -0.00 1.57 5.08 -0.99 0.11 114.58 121.20 3hrf h GLU 314 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3hrf h GLU 314 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3hrf h GLU 314 CO -0.09 0.10 -0.20 1.63 -1.00 0.00 0.00 179.01 179.44 3hrf n LYS 315 N -3.51 0.37 -0.08 2.33 5.02 -0.71 -4.21 118.16 117.37 3hrf n LYS 315 Ca -0.02 -0.14 -0.13 0.00 -2.02 0.00 0.00 58.31 56.00 3hrf n LYS 315 Cb 0.24 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.68 3hrf n LYS 315 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hrf n LEU 316 N -1.19 2.43 -3.99 -0.35 4.77 -0.53 -1.37 117.00 116.77 3hrf n LEU 316 Ca 0.10 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.66 3hrf n LEU 316 Cb 0.31 -0.53 -0.00 0.00 -2.33 0.00 0.00 43.42 40.87 3hrf n LEU 316 CO 0.28 0.64 2.46 0.18 -1.33 0.00 0.00 177.39 179.62 3hrf n LEU 317 N -3.20 6.25 -4.20 2.23 4.77 0.27 -4.39 117.00 118.73 3hrf n LEU 317 Ca -0.29 -4.06 -0.30 0.00 -0.03 0.00 0.00 56.01 51.32 3hrf n LEU 317 Cb 0.78 -1.68 -0.17 0.00 -2.33 0.00 0.00 43.42 40.02 3hrf n LEU 317 CO 0.11 0.80 -0.54 -0.69 -1.33 0.00 0.00 177.39 175.74 3hrf s VAL 318 N 3.56 1.88 0.20 4.08 1.01 -1.26 -4.86 120.40 125.00 3hrf s VAL 318 Ca 0.49 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 61.44 3hrf s VAL 318 Cb 0.11 -1.62 0.14 0.00 0.00 0.00 0.00 36.38 35.00 3hrf s VAL 318 CO -0.04 0.52 1.81 -0.07 0.00 0.00 0.00 175.10 177.33 3hrf h LEU 319 N 6.58 0.91 -8.81 3.92 3.38 -1.96 -3.39 115.31 115.94 3hrf h LEU 319 Ca -0.24 -0.10 -0.57 0.00 0.09 0.00 0.00 57.88 57.06 3hrf h LEU 319 Cb 1.21 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.68 3hrf h LEU 319 CO 0.47 0.75 1.01 -0.62 0.09 0.00 0.00 178.44 180.14 3hrf s ASP 320 N -6.05 6.48 0.50 -0.43 -1.08 -1.26 -4.71 116.67 110.13 3hrf s ASP 320 Ca -0.13 0.82 0.34 0.00 -0.52 0.00 0.00 52.55 53.06 3hrf s ASP 320 Cb 0.15 -2.54 1.80 0.00 -1.46 0.00 0.00 42.92 40.86 3hrf s ASP 320 CO 0.80 -1.31 2.04 0.00 0.52 0.00 0.00 175.17 177.21 3hrf h ALA 321 N 10.02 1.00 -0.22 3.66 0.00 -1.98 -0.56 119.26 131.18 3hrf h ALA 321 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3hrf h ALA 321 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3hrf h ALA 321 CO 1.08 0.00 0.00 0.25 0.00 0.00 0.00 179.25 180.58 3hrf n THR 322 N -2.72 0.28 -0.63 0.00 -2.24 -1.26 -3.91 114.28 103.80 3hrf n THR 322 Ca -0.02 -0.42 0.06 0.00 -2.27 0.00 0.00 64.05 61.40 3hrf n THR 322 Cb 0.08 0.45 0.10 0.00 -2.10 0.00 0.00 70.33 68.86 3hrf n THR 322 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hrf n LYS 323 N 0.53 2.09 -3.22 -0.78 4.76 -0.22 -4.33 118.16 116.98 3hrf n LYS 323 Ca 0.16 -2.18 -0.39 0.00 -2.87 0.00 0.00 58.31 53.04 3hrf n LYS 323 Cb 0.37 -1.33 -0.06 0.00 -1.84 0.00 0.00 35.03 32.18 3hrf n LYS 323 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3hrf s ARG 324 N -2.10 4.30 0.11 1.97 0.52 -1.25 -4.91 118.95 117.59 3hrf s ARG 324 Ca 0.20 0.71 -0.31 0.00 -0.52 0.00 0.00 55.73 55.81 3hrf s ARG 324 Cb 0.17 -3.34 -0.10 0.00 0.52 0.00 0.00 34.95 32.21 3hrf s ARG 324 CO 0.03 0.38 1.79 -1.17 0.02 0.00 0.00 175.30 176.34 3hrf s LEU 325 N -0.20 4.39 0.00 2.53 2.96 -0.47 -1.42 118.68 126.46 3hrf s LEU 325 Ca 0.30 2.70 0.00 0.00 -0.22 0.00 0.00 54.13 56.91 3hrf s LEU 325 Cb -0.18 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.94 3hrf s LEU 325 CO 0.17 -0.98 0.00 0.61 -1.32 0.00 0.00 176.35 174.83 3hrf n GLY 326 N 4.18 1.70 3.86 7.98 0.00 -1.24 -4.89 105.19 116.78 3hrf n GLY 326 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3hrf n GLY 326 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrf h GLU 328 N -0.71 0.94 0.00 0.00 5.08 -1.92 -1.14 114.58 116.82 3hrf h GLU 328 Ca -0.45 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3hrf h GLU 328 Cb 1.25 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3hrf h GLU 328 CO 0.62 0.62 0.00 0.93 -1.00 0.00 0.00 179.01 180.18 3hrf h GLU 329 N 0.97 0.00 -0.54 2.33 3.07 -1.93 -1.86 114.58 116.62 3hrf h GLU 329 Ca 0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 3hrf h GLU 329 Cb -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 3hrf h GLU 329 CO -0.08 0.00 0.00 -1.33 -1.40 0.00 0.00 179.01 176.20 3hrf n MET 330 N -2.58 3.73 -1.64 2.33 2.81 -0.54 -4.95 117.12 116.28 3hrf n MET 330 Ca 0.02 -2.85 -0.06 0.00 -1.81 0.00 0.00 57.70 53.00 3hrf n MET 330 Cb 0.31 -1.89 -0.01 0.00 -0.71 0.00 0.00 33.22 30.91 3hrf n MET 330 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3hrf n GLU 331 N 0.71 -0.42 0.00 0.03 -0.58 -0.70 -4.71 120.64 114.98 3hrf n GLU 331 Ca 0.24 0.49 0.00 0.00 -0.42 0.00 0.00 57.16 57.47 3hrf n GLU 331 Cb 0.90 -4.27 0.00 0.00 -0.57 0.00 0.00 31.44 27.51 3hrf n GLU 331 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hrf n GLY 332 N -1.65 -1.36 0.22 0.62 0.00 -0.55 -4.41 105.19 98.06 3hrf n GLY 332 Ca -0.06 -1.51 0.12 0.00 0.00 0.00 0.00 46.02 44.56 3hrf n GLY 332 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3hrf h TYR 333 N 0.00 0.00 0.14 1.61 0.05 -1.88 -3.29 116.97 113.59 3hrf h TYR 333 Ca 0.00 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.79 3hrf h TYR 333 Cb 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 3hrf h TYR 333 CO 0.00 0.11 -0.18 0.78 -1.05 0.00 0.00 178.16 177.82 3hrf h GLY 334 N 3.19 -0.35 1.88 3.88 0.00 -1.95 0.54 103.07 110.26 3hrf h GLY 334 Ca -0.00 0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.50 3hrf h GLY 334 CO 0.01 -0.17 -0.10 -2.55 0.00 0.00 0.00 176.54 173.73 3hrf h PRO 335 N -0.36 0.15 0.07 4.80 0.11 -1.81 -1.16 132.00 133.80 3hrf h PRO 335 Ca 0.01 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 3hrf h PRO 335 Cb 0.36 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.45 3hrf h PRO 335 CO -0.07 0.26 -0.03 1.25 -0.21 0.00 0.00 178.00 179.20 3hrf h LEU 336 N 0.15 -0.07 -2.11 2.35 5.85 -1.54 -3.06 115.31 116.88 3hrf h LEU 336 Ca 0.03 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 3hrf h LEU 336 Cb 0.28 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 3hrf h LEU 336 CO 0.02 0.33 -0.03 0.11 -0.34 0.00 0.00 178.44 178.52 3hrf h LYS 337 N -0.49 0.00 -0.00 1.25 1.57 -0.71 -1.98 116.57 116.21 3hrf h LYS 337 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3hrf h LYS 337 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3hrf h LYS 337 CO 0.01 0.03 -0.01 0.00 -0.57 0.00 0.00 179.45 178.92 3hrf n ALA 338 N -2.44 2.61 -1.77 3.86 0.00 -0.45 -4.70 120.51 117.61 3hrf n ALA 338 Ca -0.03 -0.19 -0.40 0.00 0.00 0.00 0.00 53.44 52.82 3hrf n ALA 338 Cb 0.12 -1.49 -0.00 0.00 0.00 0.00 0.00 19.45 18.08 3hrf n ALA 338 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3hrf s HIS 339 N -2.25 2.70 0.60 0.00 5.04 -0.75 -4.86 115.29 115.78 3hrf s HIS 339 Ca 0.39 1.30 0.28 0.00 -1.54 0.00 0.00 55.06 55.50 3hrf s HIS 339 Cb 0.21 -3.84 1.41 0.00 0.04 0.00 0.00 32.58 30.40 3hrf s HIS 339 CO 0.41 -2.53 1.82 -1.35 -2.34 0.00 0.00 174.74 170.76 3hrf h PRO 340 N 2.82 0.00 0.00 2.88 0.11 -1.91 -0.20 132.00 135.71 3hrf h PRO 340 Ca -0.50 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 3hrf h PRO 340 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hrf h PRO 340 CO 0.63 0.00 -0.01 0.35 -0.21 0.00 0.00 178.00 178.76 3hrf h PHE 341 N 0.00 0.00 -0.56 0.65 3.57 -1.89 -2.23 116.94 116.48 3hrf h PHE 341 Ca 0.22 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.72 3hrf h PHE 341 Cb 1.33 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.07 3hrf h PHE 341 CO 0.00 0.01 0.00 1.19 -2.23 0.00 0.00 178.31 177.28 3hrf n PHE 342 N -4.30 1.46 -0.25 0.41 3.72 -0.09 -4.66 117.46 113.75 3hrf n PHE 342 Ca -0.03 -0.66 0.05 0.00 -0.05 0.00 0.00 57.45 56.76 3hrf n PHE 342 Cb 0.10 -0.29 0.17 0.00 -0.94 0.00 0.00 39.48 38.51 3hrf n PHE 342 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3hrf h GLU 343 N 3.60 0.15 0.00 -1.08 3.07 -1.48 -1.69 114.58 117.15 3hrf h GLU 343 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3hrf h GLU 343 Cb 1.51 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.38 3hrf h GLU 343 CO 0.27 0.10 0.00 -1.13 -1.40 0.00 0.00 179.01 176.85 3hrf n SER 344 N -5.28 0.11 -4.70 1.42 3.41 -1.26 -4.90 113.62 102.42 3hrf n SER 344 Ca 0.14 0.51 -0.42 0.00 -0.26 0.00 0.00 58.87 58.84 3hrf n SER 344 Cb 0.47 -0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 63.85 3hrf n SER 344 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3hrf s VAL 345 N -3.02 3.88 -0.59 -3.33 1.01 -0.64 -5.00 120.40 112.72 3hrf s VAL 345 Ca 0.12 1.31 -0.19 0.00 0.00 0.00 0.00 61.98 63.22 3hrf s VAL 345 Cb 0.17 -3.84 0.09 0.00 0.00 0.00 0.00 36.38 32.80 3hrf s VAL 345 CO 0.49 0.06 0.72 -0.89 0.00 0.00 0.00 175.10 175.48 3hrf s THR 346 N 1.61 4.77 0.27 3.92 2.01 -1.26 -4.94 115.64 122.02 3hrf s THR 346 Ca 0.60 -0.84 -0.01 0.00 0.31 0.00 0.00 61.69 61.75 3hrf s THR 346 Cb -0.30 -4.48 0.14 0.00 0.01 0.00 0.00 72.50 67.86 3hrf s THR 346 CO 0.27 -1.12 1.80 -0.50 -0.69 0.00 0.00 174.62 174.38 3hrf h TRP 347 N 9.20 0.84 0.00 4.92 4.06 -1.96 -3.30 115.95 129.70 3hrf h TRP 347 Ca -0.29 -0.10 -0.04 0.00 2.06 0.00 0.00 58.89 60.52 3hrf h TRP 347 Cb 1.09 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 29.00 3hrf h TRP 347 CO 0.84 0.74 -0.19 0.93 -3.56 0.00 0.00 178.44 177.20 3hrf h GLU 348 N 0.76 0.00 0.00 0.49 3.07 -2.04 -3.16 114.58 113.69 3hrf h GLU 348 Ca 0.16 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.00 3hrf h GLU 348 Cb 0.37 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.24 3hrf h GLU 348 CO 0.01 0.19 -0.31 0.27 -1.40 0.00 0.00 179.01 177.77 3hrf n ASN 349 N -4.24 1.42 -0.32 1.42 0.23 -1.24 -4.85 115.26 107.68 3hrf n ASN 349 Ca -0.02 -2.76 0.19 0.00 -0.53 0.00 0.00 54.58 51.45 3hrf n ASN 349 Cb 0.26 -0.36 0.38 0.00 -2.08 0.00 0.00 39.78 37.97 3hrf n ASN 349 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 3hrf h LEU 350 N 0.22 0.09 -0.00 -4.53 3.38 -1.63 0.71 115.31 113.54 3hrf h LEU 350 Ca -0.02 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3hrf h LEU 350 Cb 1.20 0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.23 3hrf h LEU 350 CO 0.01 -0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.31 3hrf n HIS 351 N -5.23 0.02 0.83 1.13 1.44 -1.26 -2.12 115.22 110.02 3hrf n HIS 351 Ca 0.26 0.01 0.09 0.00 -2.01 0.00 0.00 57.72 56.07 3hrf n HIS 351 Cb 0.85 -0.51 -0.02 0.00 0.12 0.00 0.00 29.99 30.43 3hrf n HIS 351 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3hrf n GLN 352 N -1.51 1.43 -2.47 -1.40 6.02 0.20 -4.97 117.38 114.68 3hrf n GLN 352 Ca 0.06 -0.73 -0.33 0.00 -0.01 0.00 0.00 57.00 55.99 3hrf n GLN 352 Cb 0.28 -1.36 -0.03 0.00 1.02 0.00 0.00 30.24 30.16 3hrf n GLN 352 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3hrf s GLN 353 N -2.24 3.84 -0.20 -1.09 -0.21 -0.90 -5.01 119.66 113.84 3hrf s GLN 353 Ca 0.14 1.17 -0.28 0.00 0.02 0.00 0.00 55.36 56.41 3hrf s GLN 353 Cb 0.15 -2.11 0.00 0.00 1.00 0.00 0.00 33.01 32.05 3hrf s GLN 353 CO 0.52 -0.38 0.98 0.99 -2.12 0.00 0.00 175.29 175.29 3hrf s THR 354 N -2.28 4.74 0.61 -0.19 2.01 -1.26 -5.02 115.64 114.24 3hrf s THR 354 Ca 0.63 1.93 -0.19 0.00 0.31 0.00 0.00 61.69 64.37 3hrf s THR 354 Cb -0.13 -4.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.09 3hrf s THR 354 CO 0.25 -0.11 1.25 -2.84 -0.69 0.00 0.00 174.62 172.47 3hrf s PRO 355 N 2.84 2.84 0.42 4.92 0.02 -1.26 -4.95 135.00 139.82 3hrf s PRO 355 Ca 0.43 1.93 -0.25 0.00 0.02 0.00 0.00 61.00 63.13 3hrf s PRO 355 Cb -0.16 -1.92 -0.08 0.00 0.02 0.00 0.00 34.50 32.36 3hrf s PRO 355 CO 0.09 -1.34 1.24 -1.25 -0.33 0.00 0.00 177.00 175.41 3hrf s PRO 356 N -3.32 3.92 0.19 5.54 0.04 -1.26 -4.95 135.00 135.16 3hrf s PRO 356 Ca 0.79 2.01 -0.31 0.00 0.04 0.00 0.00 61.00 63.53 3hrf s PRO 356 Cb -0.33 -2.66 -0.10 0.00 0.04 0.00 0.00 34.50 31.44 3hrf s PRO 356 CO 0.36 -0.48 1.57 -1.59 0.04 0.00 0.00 177.00 176.90 3hrf s LYS 357 N -2.35 4.21 0.64 4.56 0.00 -1.26 -4.94 119.74 120.59 3hrf s LYS 357 Ca 0.59 2.40 -0.17 0.00 0.00 0.00 0.00 55.97 58.78 3hrf s LYS 357 Cb -0.35 -3.13 -0.01 0.00 0.00 0.00 0.00 37.83 34.35 3hrf s LYS 357 CO 0.44 -0.60 1.17 -0.51 0.00 0.00 0.00 175.35 175.84 3hrf s LEU 358 N 0.81 3.51 0.00 2.77 1.43 -1.26 -4.94 118.68 120.99 3hrf s LEU 358 Ca 0.69 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 56.02 3hrf s LEU 358 Cb -0.44 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.20 3hrf s LEU 358 CO 0.34 -1.72 0.00 0.41 0.23 0.00 0.00 176.35 175.62