#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m7w s THR 3 N 0.00 1.97 -0.13 3.15 -4.23 -1.26 -3.50 115.64 111.64 3m7w s THR 3 Ca 0.00 -2.08 0.01 0.00 -1.18 0.00 0.00 61.69 58.44 3m7w s THR 3 Cb 0.00 -2.80 0.02 0.00 1.34 0.00 0.00 72.50 71.06 3m7w s THR 3 CO 0.00 -0.10 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.14 3m7w s VAL 4 N -2.76 1.56 -0.21 2.29 1.01 -0.51 -4.93 120.40 116.85 3m7w s VAL 4 Ca 0.34 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 3m7w s VAL 4 Cb 0.07 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 3m7w s VAL 4 CO 0.17 0.45 0.07 -0.89 0.00 0.00 0.00 175.10 174.90 3m7w s THR 5 N 1.19 4.70 -0.11 3.92 2.01 -1.26 0.03 115.64 126.12 3m7w s THR 5 Ca -0.02 -0.06 -0.00 0.00 0.31 0.00 0.00 61.69 61.92 3m7w s THR 5 Cb -0.14 -3.15 0.02 0.00 0.01 0.00 0.00 72.50 69.25 3m7w s THR 5 CO -0.05 0.41 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.52 3m7w s VAL 6 N 0.82 1.02 -1.55 3.82 1.01 -0.27 -4.84 120.40 120.40 3m7w s VAL 6 Ca 0.04 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 3m7w s VAL 6 Cb -0.13 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.22 3m7w s VAL 6 CO 0.02 0.36 0.00 0.54 0.00 0.00 0.00 175.10 176.03 3m7w n ARG 7 N 4.81 -0.94 -0.89 2.72 1.74 -1.26 -0.18 116.66 122.66 3m7w n ARG 7 Ca -0.14 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 3m7w n ARG 7 Cb 0.50 -3.59 0.00 0.00 -1.02 0.00 0.00 32.46 28.35 3m7w n ARG 7 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3m7w n ASP 8 N -2.89 -0.47 -4.65 0.55 2.03 -1.26 -4.84 116.55 105.02 3m7w n ASP 8 Ca -0.33 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.61 3m7w n ASP 8 Cb 0.70 -0.70 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 3m7w n ASP 8 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3m7w s LEU 9 N 0.00 4.12 -0.52 -2.67 2.96 0.75 -5.04 118.68 118.28 3m7w s LEU 9 Ca 0.00 0.33 -0.17 0.00 -0.22 0.00 0.00 54.13 54.08 3m7w s LEU 9 Cb 0.00 -2.36 0.10 0.00 0.50 0.00 0.00 46.19 44.43 3m7w s LEU 9 CO 0.00 -0.05 0.51 -0.69 -1.32 0.00 0.00 176.35 174.80 3m7w s VAL 10 N 1.37 5.11 -0.00 1.68 1.01 -1.26 -1.11 120.40 127.19 3m7w s VAL 10 Ca 0.14 -1.12 -0.27 0.00 0.00 0.00 0.00 61.98 60.73 3m7w s VAL 10 Cb -0.15 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 3m7w s VAL 10 CO 0.07 -0.80 0.85 -0.69 0.00 0.00 0.00 175.10 174.53 3m7w s VAL 11 N 1.93 4.87 0.00 2.92 1.01 0.10 -3.65 120.40 127.58 3m7w s VAL 11 Ca 0.06 1.78 0.00 0.00 0.00 0.00 0.00 61.98 63.82 3m7w s VAL 11 Cb -0.25 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 31.93 3m7w s VAL 11 CO 0.06 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.01 3m7w n GLY 12 N 2.82 1.09 2.96 4.51 0.00 -1.26 -1.42 105.19 113.88 3m7w n GLY 12 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 3m7w n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3m7w s GLU 13 N -0.70 0.28 4.11 1.61 2.12 -1.24 -4.89 118.70 119.99 3m7w s GLU 13 Ca 0.00 -0.35 0.00 0.00 0.36 0.00 0.00 54.97 54.98 3m7w s GLU 13 Cb 0.00 -0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.27 3m7w s GLU 13 CO 0.00 0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.15 3m7w n GLY 14 N 2.34 1.00 3.80 -1.50 0.00 -1.26 -4.77 105.19 104.80 3m7w n GLY 14 Ca -0.17 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 3m7w n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m7w s ALA 15 N -1.77 2.94 0.38 4.61 0.00 -1.26 -4.92 121.76 121.74 3m7w s ALA 15 Ca 0.00 0.57 -0.26 0.00 0.00 0.00 0.00 51.96 52.27 3m7w s ALA 15 Cb 0.00 -3.23 -0.11 0.00 0.00 0.00 0.00 23.12 19.78 3m7w s ALA 15 CO 0.00 -0.20 1.18 -2.30 0.00 0.00 0.00 175.76 174.45 3m7w n PRO 16 N -0.76 1.78 -3.09 0.00 -0.02 -1.26 -4.94 135.00 126.71 3m7w n PRO 16 Ca 0.08 0.63 -0.39 0.00 -2.02 0.00 0.00 63.50 61.80 3m7w n PRO 16 Cb 0.52 -2.22 -0.06 0.00 -0.02 0.00 0.00 33.50 31.72 3m7w n PRO 16 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3m7w s LYS 17 N -1.99 4.42 -0.11 -0.52 -0.14 -0.66 -4.84 119.74 115.90 3m7w s LYS 17 Ca 0.60 0.97 -0.26 0.00 -1.36 0.00 0.00 55.97 55.92 3m7w s LYS 17 Cb -0.56 -3.29 -0.02 0.00 -1.68 0.00 0.00 37.83 32.28 3m7w s LYS 17 CO 0.59 0.50 0.83 0.42 -0.76 0.00 0.00 175.35 176.94 3m7w s ILE 18 N -0.77 4.92 -0.04 2.17 1.01 -1.26 -1.19 121.20 126.04 3m7w s ILE 18 Ca 0.34 1.68 0.04 0.00 0.00 0.00 0.00 60.65 62.72 3m7w s ILE 18 Cb -0.21 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.08 3m7w s ILE 18 CO 0.22 0.11 -0.16 -0.63 0.00 0.00 0.00 174.94 174.49 3m7w s ILE 19 N 1.56 2.93 0.02 2.92 1.01 -0.45 -0.55 121.20 128.64 3m7w s ILE 19 Ca 0.41 -0.81 0.05 0.00 0.00 0.00 0.00 60.65 60.31 3m7w s ILE 19 Cb -0.18 -2.14 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 3m7w s ILE 19 CO 0.17 0.56 -0.16 0.68 0.00 0.00 0.00 174.94 176.19 3m7w s VAL 20 N -0.74 1.30 -0.17 2.92 -7.23 -0.94 -1.15 120.40 114.39 3m7w s VAL 20 Ca 0.12 -0.90 -0.10 0.00 -1.81 0.00 0.00 61.98 59.28 3m7w s VAL 20 Cb -0.11 -1.13 -0.05 0.00 0.56 0.00 0.00 36.38 35.66 3m7w s VAL 20 CO 0.01 0.21 0.16 -0.44 -0.31 0.00 0.00 175.10 174.73 3m7w s SER 21 N -0.81 6.29 -0.18 4.85 0.01 -1.26 -0.63 113.70 121.97 3m7w s SER 21 Ca 0.05 0.34 -0.12 0.00 1.31 0.00 0.00 55.95 57.52 3m7w s SER 21 Cb -0.07 -2.10 -0.05 0.00 0.21 0.00 0.00 66.02 64.01 3m7w s SER 21 CO 0.01 0.22 0.23 -0.22 0.41 0.00 0.00 173.24 173.89 3m7w s LEU 22 N 0.06 4.21 -0.40 2.44 0.20 0.15 -4.90 118.68 120.45 3m7w s LEU 22 Ca 0.11 0.38 0.01 0.00 0.69 0.00 0.00 54.13 55.32 3m7w s LEU 22 Cb -0.12 -2.26 0.12 0.00 -0.43 0.00 0.00 46.19 43.50 3m7w s LEU 22 CO 0.00 0.11 0.19 -0.04 -0.29 0.00 0.00 176.35 176.32 3m7w s MET 23 N 0.54 1.15 -0.03 1.98 -1.94 -1.26 -1.34 119.30 118.40 3m7w s MET 23 Ca 0.13 -1.75 0.06 0.00 -1.71 0.00 0.00 55.69 52.42 3m7w s MET 23 Cb -0.12 -2.31 -0.02 0.00 2.01 0.00 0.00 34.83 34.38 3m7w s MET 23 CO 0.02 -1.10 -0.21 0.20 -0.01 0.00 0.00 175.02 173.93 3m7w s GLY 24 N 0.73 1.40 -0.02 -0.03 0.00 -1.26 -4.95 107.32 103.19 3m7w s GLY 24 Ca 0.15 -1.06 -0.07 0.00 0.00 0.00 0.00 44.72 43.73 3m7w s GLY 24 CO -0.07 -0.87 0.79 0.50 0.00 0.00 0.00 173.10 173.46 3m7w h LYS 25 N 5.38 0.34 -5.42 2.90 1.57 -1.91 -3.22 116.57 116.20 3m7w h LYS 25 Ca -0.45 -0.58 -0.57 0.00 -1.87 0.00 0.00 60.65 57.18 3m7w h LYS 25 Cb 1.14 0.22 -0.13 0.00 0.08 0.00 0.00 32.23 33.53 3m7w h LYS 25 CO 0.48 1.23 -0.59 0.95 -0.57 0.00 0.00 179.45 180.95 3m7w s THR 26 N -2.60 1.54 0.27 -0.16 -4.23 -1.26 -0.95 115.64 108.25 3m7w s THR 26 Ca -0.12 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.36 3m7w s THR 26 Cb 0.06 -2.81 0.27 0.00 1.34 0.00 0.00 72.50 71.36 3m7w s THR 26 CO 0.86 0.00 1.91 0.40 -0.54 0.00 0.00 174.62 177.26 3m7w h ILE 27 N 1.85 1.17 -0.44 2.99 1.08 -1.95 0.20 117.51 122.41 3m7w h ILE 27 Ca -0.42 -0.42 -0.02 0.00 -0.39 0.00 0.00 64.86 63.60 3m7w h ILE 27 Cb 1.25 -0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 34.80 3m7w h ILE 27 CO 0.75 0.23 0.20 0.74 -0.69 0.00 0.00 178.15 179.37 3m7w h THR 28 N 1.23 1.19 -0.47 -0.27 2.02 -1.99 -0.02 112.91 114.61 3m7w h THR 28 Ca 0.39 -0.55 -0.13 0.00 0.77 0.00 0.00 66.41 66.89 3m7w h THR 28 Cb 0.01 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 3m7w h THR 28 CO -0.12 0.21 -0.22 0.44 0.37 0.00 0.00 175.52 176.19 3m7w h ASP 29 N 0.56 0.99 -0.21 4.18 3.32 -1.80 -1.58 116.42 121.89 3m7w h ASP 29 Ca 0.15 -0.37 0.01 0.00 0.02 0.00 0.00 57.03 56.83 3m7w h ASP 29 Cb 0.14 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3m7w h ASP 29 CO -0.02 1.16 0.12 0.58 -1.72 0.00 0.00 179.24 179.37 3m7w h VAL 30 N 0.83 1.02 -0.14 -1.35 2.07 -0.34 0.19 116.25 118.54 3m7w h VAL 30 Ca 0.11 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.54 3m7w h VAL 30 Cb 0.79 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3m7w h VAL 30 CO 0.07 0.05 0.08 0.11 0.02 0.00 0.00 177.57 177.90 3m7w h LYS 31 N 0.25 0.17 -0.46 1.57 1.57 -0.87 -0.93 116.57 117.87 3m7w h LYS 31 Ca 0.08 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 3m7w h LYS 31 Cb -0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3m7w h LYS 31 CO -0.04 0.11 -0.10 0.66 -0.57 0.00 0.00 179.45 179.51 3m7w h SER 32 N 0.17 0.82 -0.27 0.86 4.64 -1.12 -1.30 113.55 117.35 3m7w h SER 32 Ca 0.05 -0.25 -0.03 0.00 -0.47 0.00 0.00 61.79 61.10 3m7w h SER 32 Cb -0.01 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 3m7w h SER 32 CO -0.02 0.94 0.05 -0.33 -0.87 0.00 0.00 176.83 176.60 3m7w h GLU 33 N 0.75 0.45 -0.19 4.77 4.39 -0.83 -1.24 114.58 122.67 3m7w h GLU 33 Ca 0.13 -0.12 0.03 0.00 0.34 0.00 0.00 59.36 59.74 3m7w h GLU 33 Cb 0.59 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.16 3m7w h GLU 33 CO 0.04 0.55 -0.00 0.00 -1.16 0.00 0.00 179.01 178.44 3m7w h ALA 34 N 0.87 0.16 -0.46 3.43 0.00 -0.95 0.15 119.26 122.46 3m7w h ALA 34 Ca 0.08 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3m7w h ALA 34 Cb 0.32 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3m7w h ALA 34 CO 0.00 -0.44 0.22 -0.07 0.00 0.00 0.00 179.25 178.97 3m7w h LEU 35 N 0.06 0.31 -1.27 0.00 3.38 -1.15 -2.16 115.31 114.48 3m7w h LEU 35 Ca 0.09 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3m7w h LEU 35 Cb 0.11 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3m7w h LEU 35 CO -0.16 0.22 -0.18 0.00 0.09 0.00 0.00 178.44 178.42 3m7w h ALA 36 N 1.26 1.39 0.00 1.53 0.00 -0.64 -2.90 119.26 119.91 3m7w h ALA 36 Ca 0.21 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3m7w h ALA 36 Cb 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3m7w h ALA 36 CO -0.16 0.42 0.00 1.88 0.00 0.00 0.00 179.25 181.39 3m7w h TYR 37 N 0.26 0.00 0.00 0.00 -1.99 -0.04 -3.11 116.97 112.09 3m7w h TYR 37 Ca 0.05 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.77 3m7w h TYR 37 Cb 0.47 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.20 3m7w h TYR 37 CO 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 178.16 178.14 3m7w h ARG 38 N 0.00 0.00 0.00 4.88 3.08 -1.34 -1.71 114.38 119.29 3m7w h ARG 38 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 3m7w h ARG 38 Cb 0.45 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 3m7w h ARG 38 CO 0.00 0.03 -0.64 0.93 -1.07 0.00 0.00 179.97 179.22 3m7w h GLU 39 N 0.00 0.00 -6.97 0.04 4.39 -1.75 -3.46 114.58 106.83 3m7w h GLU 39 Ca -0.00 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.23 3m7w h GLU 39 Cb 0.13 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 3m7w h GLU 39 CO 0.00 0.64 0.37 0.00 -1.16 0.00 0.00 179.01 178.87 3m7w s ALA 40 N -3.30 3.10 -1.20 3.43 0.00 -0.64 -4.98 121.76 118.16 3m7w s ALA 40 Ca 0.00 0.56 -0.12 0.00 0.00 0.00 0.00 51.96 52.40 3m7w s ALA 40 Cb 0.11 -3.21 0.20 0.00 0.00 0.00 0.00 23.12 20.21 3m7w s ALA 40 CO 0.76 -0.01 1.46 -3.47 0.00 0.00 0.00 175.76 174.50 3m7w n ASP 41 N -0.09 5.31 -4.65 0.00 2.03 -1.26 -4.99 116.55 112.90 3m7w n ASP 41 Ca 0.05 -3.03 -0.24 0.00 0.52 0.00 0.00 54.79 52.09 3m7w n ASP 41 Cb 0.51 -1.51 -0.08 0.00 -0.72 0.00 0.00 41.12 39.32 3m7w n ASP 41 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3m7w s PHE 42 N 0.69 2.59 -0.21 -0.67 -0.12 -1.26 -4.94 117.98 114.06 3m7w s PHE 42 Ca 0.40 -0.40 0.04 0.00 -0.05 0.00 0.00 56.93 56.92 3m7w s PHE 42 Cb -0.02 -1.48 -0.15 0.00 -0.63 0.00 0.00 43.02 40.74 3m7w s PHE 42 CO -0.01 0.47 -0.16 -0.25 -0.05 0.00 0.00 175.22 175.23 3m7w n ASP 43 N -0.98 2.08 -4.06 1.98 8.00 0.29 -4.97 116.55 118.89 3m7w n ASP 43 Ca -0.04 -0.10 -0.21 0.00 0.71 0.00 0.00 54.79 55.15 3m7w n ASP 43 Cb 0.62 -0.15 -0.15 0.00 -0.02 0.00 0.00 41.12 41.41 3m7w n ASP 43 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3m7w s ILE 44 N -2.43 0.96 -0.27 0.53 1.01 -0.23 -4.07 121.20 116.69 3m7w s ILE 44 Ca -0.26 -0.49 -0.09 0.00 0.00 0.00 0.00 60.65 59.81 3m7w s ILE 44 Cb 0.07 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.69 3m7w s ILE 44 CO 0.53 0.28 0.12 -0.22 0.00 0.00 0.00 174.94 175.66 3m7w s LEU 45 N -0.09 3.72 -0.23 2.97 2.96 -0.69 -2.22 118.68 125.11 3m7w s LEU 45 Ca 0.01 -0.16 -0.12 0.00 -0.22 0.00 0.00 54.13 53.64 3m7w s LEU 45 Cb -0.07 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 3m7w s LEU 45 CO 0.00 -0.05 0.24 -0.70 -1.32 0.00 0.00 176.35 174.52 3m7w s GLU 46 N 1.67 4.10 -0.41 1.98 2.12 0.20 -0.34 118.70 128.03 3m7w s GLU 46 Ca 0.06 -0.11 -0.18 0.00 0.36 0.00 0.00 54.97 55.10 3m7w s GLU 46 Cb -0.16 -3.54 0.02 0.00 0.26 0.00 0.00 34.13 30.71 3m7w s GLU 46 CO 0.07 0.02 0.50 -0.46 -0.54 0.00 0.00 175.26 174.85 3m7w s TRP 47 N 1.16 3.15 -0.96 5.30 -0.00 0.81 0.32 118.94 128.71 3m7w s TRP 47 Ca 0.11 -0.17 -0.22 0.00 -0.00 0.00 0.00 56.10 55.82 3m7w s TRP 47 Cb -0.14 -3.00 0.07 0.00 -0.00 0.00 0.00 33.47 30.40 3m7w s TRP 47 CO 0.06 -0.69 1.34 1.03 -0.00 0.00 0.00 176.95 178.68 3m7w s ARG 48 N 2.34 3.54 0.44 5.86 1.81 -0.45 -1.63 118.95 130.87 3m7w s ARG 48 Ca 0.16 -1.20 0.12 0.00 -1.72 0.00 0.00 55.73 53.09 3m7w s ARG 48 Cb -0.16 -5.11 0.98 0.00 -0.45 0.00 0.00 34.95 30.21 3m7w s ARG 48 CO 0.15 -2.08 2.02 0.28 -0.68 0.00 0.00 175.30 174.99 3m7w h VAL 49 N 6.47 1.10 0.00 3.52 2.07 -1.04 -2.53 116.25 125.85 3m7w h VAL 49 Ca 0.13 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 3m7w h VAL 49 Cb 1.02 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3m7w h VAL 49 CO 1.33 0.14 -0.01 -2.24 0.02 0.00 0.00 177.57 176.81 3m7w h ASP 50 N 0.16 0.00 1.46 0.57 2.03 -1.85 -0.85 116.42 117.94 3m7w h ASP 50 Ca 0.04 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 3m7w h ASP 50 Cb 0.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.69 3m7w h ASP 50 CO 0.01 0.01 -0.06 0.45 -1.03 0.00 0.00 179.24 178.62 3m7w h HIS 51 N 0.00 0.00 -3.71 4.15 3.86 -1.76 -3.39 115.15 114.30 3m7w h HIS 51 Ca -0.00 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.70 3m7w h HIS 51 Cb 0.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.59 3m7w h HIS 51 CO 0.00 0.00 0.44 0.12 0.86 0.00 0.00 177.93 179.35 3m7w s PHE 52 N -3.12 3.69 0.04 2.45 5.36 -0.33 -4.05 117.98 122.03 3m7w s PHE 52 Ca 0.10 1.72 -0.16 0.00 -0.96 0.00 0.00 56.93 57.64 3m7w s PHE 52 Cb 0.12 -3.20 -0.30 0.00 -0.34 0.00 0.00 43.02 39.29 3m7w s PHE 52 CO 0.61 -0.31 1.07 0.00 -1.46 0.00 0.00 175.22 175.14 3m7w h ALA 53 N 4.35 -0.04 -0.96 11.12 0.00 -1.29 -3.36 119.26 129.08 3m7w h ALA 53 Ca -0.45 -0.77 -0.75 0.00 0.00 0.00 0.00 54.91 52.93 3m7w h ALA 53 Cb 1.21 0.12 -0.22 0.00 0.00 0.00 0.00 17.79 18.90 3m7w h ALA 53 CO 0.69 0.65 1.34 0.09 0.00 0.00 0.00 179.25 182.02 3m7w n ASN 54 N -3.82 7.48 0.16 0.00 4.13 -1.26 -4.74 115.26 117.21 3m7w n ASN 54 Ca -0.14 -3.52 0.02 0.00 1.68 0.00 0.00 54.58 52.62 3m7w n ASN 54 Cb 0.98 -1.21 0.25 0.00 -1.54 0.00 0.00 39.78 38.27 3m7w n ASN 54 CO 0.00 0.00 0.00 -0.37 0.28 0.00 0.00 177.26 177.17 3m7w h VAL 55 N 2.25 1.18 -0.00 2.41 -1.51 -1.89 -3.08 116.25 115.61 3m7w h VAL 55 Ca 0.57 -1.81 0.00 0.00 -1.23 0.00 0.00 66.70 64.23 3m7w h VAL 55 Cb 0.31 2.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 3m7w h VAL 55 CO 1.27 0.49 -0.08 0.35 -1.23 0.00 0.00 177.57 178.36 3m7w n THR 56 N -3.69 0.00 -3.36 7.19 -2.24 -1.26 -4.59 114.28 106.33 3m7w n THR 56 Ca -0.01 -0.08 -0.45 0.00 -2.27 0.00 0.00 64.05 61.24 3m7w n THR 56 Cb 0.56 -0.06 -0.05 0.00 -2.10 0.00 0.00 70.33 68.68 3m7w n THR 56 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3m7w s THR 57 N -2.35 5.09 0.20 4.28 2.01 -1.16 -4.97 115.64 118.74 3m7w s THR 57 Ca 0.33 -1.71 -0.17 0.00 0.31 0.00 0.00 61.69 60.44 3m7w s THR 57 Cb 0.20 -4.25 0.18 0.00 0.01 0.00 0.00 72.50 68.64 3m7w s THR 57 CO 0.44 -0.88 1.60 0.00 -0.69 0.00 0.00 174.62 175.10 3m7w h ALA 58 N 8.63 0.18 -0.81 7.40 0.00 -1.86 0.10 119.26 132.91 3m7w h ALA 58 Ca -0.22 0.20 0.14 0.00 0.00 0.00 0.00 54.91 55.03 3m7w h ALA 58 Cb 1.08 0.64 -0.06 0.00 0.00 0.00 0.00 17.79 19.45 3m7w h ALA 58 CO 0.97 -0.55 0.53 1.49 0.00 0.00 0.00 179.25 181.68 3m7w h GLU 59 N -0.09 0.53 -0.06 0.00 4.81 -1.95 0.25 114.58 118.06 3m7w h GLU 59 Ca 0.27 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.41 3m7w h GLU 59 Cb 0.52 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3m7w h GLU 59 CO -0.67 0.35 -0.19 0.77 -0.73 0.00 0.00 179.01 178.55 3m7w h SER 60 N 0.55 0.26 -0.36 1.04 0.02 -1.13 -2.05 113.55 111.89 3m7w h SER 60 Ca 0.40 -0.62 0.05 0.00 -0.84 0.00 0.00 61.79 60.79 3m7w h SER 60 Cb 0.77 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 63.18 3m7w h SER 60 CO -0.15 0.84 0.07 0.58 -1.14 0.00 0.00 176.83 177.02 3m7w h VAL 61 N -0.29 0.81 -0.65 2.27 2.07 -0.73 -1.46 116.25 118.27 3m7w h VAL 61 Ca -0.01 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.47 3m7w h VAL 61 Cb 0.81 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 3m7w h VAL 61 CO 0.04 0.03 0.41 0.25 0.02 0.00 0.00 177.57 178.33 3m7w h LEU 62 N 0.19 0.68 -0.53 2.57 5.85 -1.00 -0.81 115.31 122.25 3m7w h LEU 62 Ca 0.17 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 3m7w h LEU 62 Cb 0.20 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3m7w h LEU 62 CO -0.23 0.48 0.23 -0.08 -0.34 0.00 0.00 178.44 178.50 3m7w h GLU 63 N 0.81 0.78 -0.30 1.25 4.81 -0.94 -1.12 114.58 119.87 3m7w h GLU 63 Ca 0.26 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 3m7w h GLU 63 Cb -0.01 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 3m7w h GLU 63 CO -0.09 0.67 0.09 0.00 -0.73 0.00 0.00 179.01 178.95 3m7w h ALA 64 N 1.07 0.40 -0.82 2.92 0.00 -0.89 -1.16 119.26 120.79 3m7w h ALA 64 Ca 0.18 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3m7w h ALA 64 Cb 0.16 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3m7w h ALA 64 CO -0.02 0.04 0.51 0.00 0.00 0.00 0.00 179.25 179.78 3m7w h ALA 65 N 0.93 1.10 -0.62 0.00 0.00 -1.03 -1.34 119.26 118.30 3m7w h ALA 65 Ca 0.10 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3m7w h ALA 65 Cb 0.25 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3m7w h ALA 65 CO -0.00 0.30 0.16 0.78 0.00 0.00 0.00 179.25 180.49 3m7w h GLY 66 N 0.98 1.03 0.90 0.00 0.00 -1.01 -0.94 103.07 104.02 3m7w h GLY 66 Ca 0.34 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3m7w h GLY 66 CO -0.14 0.57 0.10 0.00 0.00 0.00 0.00 176.54 177.06 3m7w h ALA 67 N 1.25 0.35 -0.16 3.60 0.00 -0.36 -1.88 119.26 122.06 3m7w h ALA 67 Ca 0.20 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3m7w h ALA 67 Cb 0.31 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3m7w h ALA 67 CO -0.00 -0.04 0.10 0.82 0.00 0.00 0.00 179.25 180.13 3m7w h ILE 68 N 0.28 1.07 -0.68 0.00 2.04 -1.04 -2.16 117.51 117.00 3m7w h ILE 68 Ca 0.09 -0.16 0.06 0.00 1.00 0.00 0.00 64.86 65.85 3m7w h ILE 68 Cb 0.21 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 3m7w h ILE 68 CO -0.01 0.06 0.45 -0.09 0.00 0.00 0.00 178.15 178.57 3m7w h ARG 69 N 0.19 0.69 -0.04 2.37 9.65 -1.10 0.28 114.38 126.42 3m7w h ARG 69 Ca 0.06 -0.04 -0.19 0.00 -1.10 0.00 0.00 59.98 58.71 3m7w h ARG 69 Cb 0.02 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.43 3m7w h ARG 69 CO -0.01 0.46 -0.77 1.49 2.80 0.00 0.00 179.97 183.93 3m7w h GLU 70 N 0.71 0.31 0.17 0.20 4.81 -1.09 -3.27 114.58 116.41 3m7w h GLU 70 Ca 0.29 -0.28 -0.29 0.00 -0.13 0.00 0.00 59.36 58.95 3m7w h GLU 70 Cb 0.25 0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.70 3m7w h GLU 70 CO -0.09 0.94 -1.42 0.82 -0.73 0.00 0.00 179.01 178.53 3m7w h ILE 71 N 0.20 1.14 -3.49 2.32 2.04 -0.79 -3.40 117.51 115.53 3m7w h ILE 71 Ca -0.04 -2.51 -0.74 0.00 1.00 0.00 0.00 64.86 62.57 3m7w h ILE 71 Cb 1.36 2.88 -0.32 0.00 -0.74 0.00 0.00 36.82 40.00 3m7w h ILE 71 CO 0.13 0.77 0.03 -0.63 0.00 0.00 0.00 178.15 178.45 3m7w s ILE 72 N -2.52 4.86 -0.16 -0.67 -1.09 0.93 -4.87 121.20 117.68 3m7w s ILE 72 Ca -0.16 -3.42 0.17 0.00 -2.23 0.00 0.00 60.65 55.01 3m7w s ILE 72 Cb 0.04 -4.00 -0.03 0.00 -1.58 0.00 0.00 42.46 36.89 3m7w s ILE 72 CO 0.84 -1.07 1.09 0.71 -1.23 0.00 0.00 174.94 175.28 3m7w h THR 73 N 4.25 0.53 -0.86 2.92 1.35 -1.78 -3.38 112.91 115.93 3m7w h THR 73 Ca 0.13 -1.89 -0.38 0.00 -0.55 0.00 0.00 66.41 63.73 3m7w h THR 73 Cb 0.88 2.08 -0.22 0.00 -1.73 0.00 0.00 68.15 69.16 3m7w h THR 73 CO 0.86 0.30 0.46 -0.90 -0.25 0.00 0.00 175.52 175.99 3m7w n ASP 74 N -2.98 4.15 -3.78 5.36 5.75 -1.26 -4.98 116.55 118.81 3m7w n ASP 74 Ca -0.04 -3.46 -0.13 0.00 -0.01 0.00 0.00 54.79 51.15 3m7w n ASP 74 Cb 0.75 -0.79 -0.09 0.00 -1.03 0.00 0.00 41.12 39.96 3m7w n ASP 74 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3m7w s LYS 75 N -3.17 0.64 0.40 0.11 -0.14 -1.26 -5.10 119.74 111.23 3m7w s LYS 75 Ca 0.56 -0.23 -0.26 0.00 -1.36 0.00 0.00 55.97 54.68 3m7w s LYS 75 Cb 0.46 0.28 -0.09 0.00 -1.68 0.00 0.00 37.83 36.81 3m7w s LYS 75 CO 0.12 -0.17 1.26 -2.14 -0.76 0.00 0.00 175.35 173.65 3m7w s PRO 76 N -1.37 3.98 -0.19 -1.68 0.02 -1.26 -4.89 135.00 129.63 3m7w s PRO 76 Ca -0.14 2.05 -0.01 0.00 0.02 0.00 0.00 61.00 62.92 3m7w s PRO 76 Cb -0.06 -2.73 -0.00 0.00 0.02 0.00 0.00 34.50 31.74 3m7w s PRO 76 CO 0.04 -0.44 -0.11 -1.17 -0.33 0.00 0.00 177.00 174.98 3m7w s LEU 77 N -2.46 2.59 -0.24 -5.54 2.96 -1.26 -1.70 118.68 113.04 3m7w s LEU 77 Ca 0.57 -0.47 -0.09 0.00 -0.22 0.00 0.00 54.13 53.93 3m7w s LEU 77 Cb -0.36 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 3m7w s LEU 77 CO 0.45 0.02 0.11 -0.22 -1.32 0.00 0.00 176.35 175.40 3m7w s LEU 78 N 1.19 3.78 -0.35 -0.68 2.96 0.54 -1.41 118.68 124.71 3m7w s LEU 78 Ca 0.02 -0.03 -0.17 0.00 -0.22 0.00 0.00 54.13 53.73 3m7w s LEU 78 Cb -0.14 -2.01 -0.00 0.00 0.50 0.00 0.00 46.19 44.53 3m7w s LEU 78 CO -0.04 0.03 0.43 0.12 -1.32 0.00 0.00 176.35 175.57 3m7w s PHE 79 N 1.23 3.19 -0.17 5.38 5.36 -0.17 -0.14 117.98 132.67 3m7w s PHE 79 Ca 0.06 0.02 -0.02 0.00 -0.96 0.00 0.00 56.93 56.03 3m7w s PHE 79 Cb -0.14 -2.80 0.05 0.00 -0.34 0.00 0.00 43.02 39.79 3m7w s PHE 79 CO 0.05 -0.51 -0.00 0.99 -1.46 0.00 0.00 175.22 174.29 3m7w s THR 80 N 2.19 0.77 -0.46 0.12 2.01 -0.65 -1.10 115.64 118.51 3m7w s THR 80 Ca 0.15 -0.56 -0.16 0.00 0.31 0.00 0.00 61.69 61.43 3m7w s THR 80 Cb -0.16 -1.11 0.06 0.00 0.01 0.00 0.00 72.50 71.30 3m7w s THR 80 CO 0.13 -0.04 0.40 0.12 -0.69 0.00 0.00 174.62 174.53 3m7w s PHE 81 N 1.76 3.23 -0.24 4.92 5.36 -1.26 -0.43 117.98 131.32 3m7w s PHE 81 Ca -0.00 -0.84 -0.22 0.00 -0.96 0.00 0.00 56.93 54.91 3m7w s PHE 81 Cb -0.16 -3.10 -0.02 0.00 -0.34 0.00 0.00 43.02 39.40 3m7w s PHE 81 CO -0.07 -0.78 0.69 0.50 -1.46 0.00 0.00 175.22 174.10 3m7w s ARG 82 N 1.73 4.16 0.52 10.12 6.06 -1.26 -4.91 118.95 135.36 3m7w s ARG 82 Ca 0.05 0.68 -0.20 0.00 -2.50 0.00 0.00 55.73 53.77 3m7w s ARG 82 Cb -0.23 -3.63 -0.07 0.00 0.06 0.00 0.00 34.95 31.08 3m7w s ARG 82 CO 0.08 -0.40 1.08 -1.54 -2.50 0.00 0.00 175.30 172.02 3m7w s SER 83 N 1.37 5.99 0.37 -2.12 1.04 -1.26 -3.95 113.70 115.14 3m7w s SER 83 Ca 0.29 2.05 0.10 0.00 0.48 0.00 0.00 55.95 58.87 3m7w s SER 83 Cb -0.16 -2.57 0.85 0.00 0.10 0.00 0.00 66.02 64.25 3m7w s SER 83 CO 0.09 -1.03 1.89 0.00 0.98 0.00 0.00 173.24 175.17 3m7w h ALA 84 N 1.30 1.87 -0.53 5.32 0.00 -1.32 0.24 119.26 126.14 3m7w h ALA 84 Ca -0.50 0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.55 3m7w h ALA 84 Cb 1.24 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3m7w h ALA 84 CO 0.58 -0.09 0.37 -0.22 0.00 0.00 0.00 179.25 179.89 3m7w h LYS 85 N 0.65 0.11 -0.81 0.00 3.64 -1.86 -2.36 116.57 115.94 3m7w h LYS 85 Ca 0.42 -0.01 -0.56 0.00 -1.27 0.00 0.00 60.65 59.23 3m7w h LYS 85 Cb 0.69 -0.03 -0.42 0.00 -0.41 0.00 0.00 32.23 32.06 3m7w h LYS 85 CO -0.18 0.07 -0.73 0.39 -2.27 0.00 0.00 179.45 176.74 3m7w n GLU 86 N -4.42 3.56 -0.27 1.90 1.02 -0.25 -4.92 120.64 117.26 3m7w n GLU 86 Ca 0.09 -4.14 0.00 0.00 -0.02 0.00 0.00 57.16 53.09 3m7w n GLU 86 Cb 0.52 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 3m7w n GLU 86 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m7w n GLY 87 N -0.71 0.68 3.84 0.62 0.00 -0.89 -4.77 105.19 103.96 3m7w n GLY 87 Ca 0.45 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.17 3m7w n GLY 87 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3m7w s GLY 88 N -1.37 1.69 0.21 -0.02 0.00 0.68 -4.92 107.32 103.59 3m7w s GLY 88 Ca 0.00 -1.00 0.15 0.00 0.00 0.00 0.00 44.72 43.87 3m7w s GLY 88 CO 0.00 -0.26 1.27 0.83 0.00 0.00 0.00 173.10 174.93 3m7w h GLU 89 N -1.77 0.00 -3.70 2.90 4.39 -1.79 -3.36 114.58 111.25 3m7w h GLU 89 Ca -0.45 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.17 3m7w h GLU 89 Cb 1.27 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.83 3m7w h GLU 89 CO 0.43 0.48 -0.13 1.14 -1.16 0.00 0.00 179.01 179.77 3m7w s GLN 90 N -2.93 1.57 0.19 2.33 -2.07 -1.26 -4.92 119.66 112.57 3m7w s GLN 90 Ca 0.02 -1.30 0.10 0.00 -1.82 0.00 0.00 55.36 52.36 3m7w s GLN 90 Cb 0.08 0.47 -0.04 0.00 -1.09 0.00 0.00 33.01 32.42 3m7w s GLN 90 CO 0.77 -0.65 -0.17 0.00 -1.32 0.00 0.00 175.29 173.91 3m7w s ALA 91 N -3.93 2.73 0.07 2.60 0.00 -1.26 -1.23 121.76 120.74 3m7w s ALA 91 Ca 0.23 -1.58 -0.01 0.00 0.00 0.00 0.00 51.96 50.61 3m7w s ALA 91 Cb -0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 3m7w s ALA 91 CO 0.10 0.44 -0.00 -0.51 0.00 0.00 0.00 175.76 175.78 3m7w s LEU 92 N -2.78 2.28 0.75 0.00 1.43 -1.26 -5.01 118.68 114.08 3m7w s LEU 92 Ca 0.23 -1.06 -0.11 0.00 -1.03 0.00 0.00 54.13 52.16 3m7w s LEU 92 Cb -0.08 0.23 0.04 0.00 0.03 0.00 0.00 46.19 46.41 3m7w s LEU 92 CO 0.12 -0.64 1.08 0.42 0.23 0.00 0.00 176.35 177.57 3m7w s THR 93 N -3.96 3.55 0.20 5.49 -4.23 -1.26 -4.83 115.64 110.60 3m7w s THR 93 Ca 0.12 0.50 -0.11 0.00 -1.18 0.00 0.00 61.69 61.02 3m7w s THR 93 Cb 0.08 -3.15 0.13 0.00 1.34 0.00 0.00 72.50 70.90 3m7w s THR 93 CO -0.07 -0.66 1.74 0.74 -0.54 0.00 0.00 174.62 175.84 3m7w h THR 94 N -0.97 0.78 -0.30 3.99 2.02 -1.99 -1.12 112.91 115.32 3m7w h THR 94 Ca -0.45 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 66.62 3m7w h THR 94 Cb 1.23 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 3m7w h THR 94 CO 0.55 0.07 0.17 1.23 0.37 0.00 0.00 175.52 177.92 3m7w h GLY 95 N 0.37 0.41 0.91 2.16 0.00 -1.99 -0.52 103.07 104.41 3m7w h GLY 95 Ca 0.28 -0.13 0.02 0.00 0.00 0.00 0.00 47.33 47.50 3m7w h GLY 95 CO -0.29 0.12 0.25 1.46 0.00 0.00 0.00 176.54 178.07 3m7w h GLN 96 N 0.36 0.48 -0.55 4.80 4.20 -1.83 -0.78 115.11 121.80 3m7w h GLN 96 Ca 0.11 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3m7w h GLN 96 Cb -0.01 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 3m7w h GLN 96 CO -0.05 0.32 0.35 -0.92 -0.67 0.00 0.00 178.83 177.86 3m7w h TYR 97 N 0.50 0.69 0.02 2.96 3.20 -0.90 -0.13 116.97 123.32 3m7w h TYR 97 Ca 0.16 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 3m7w h TYR 97 Cb 0.00 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.04 3m7w h TYR 97 CO -0.07 0.45 -0.01 0.82 -1.64 0.00 0.00 178.16 177.71 3m7w h ILE 98 N 0.74 1.22 -0.93 1.81 1.08 -0.91 -2.28 117.51 118.24 3m7w h ILE 98 Ca 0.20 -0.76 0.08 0.00 -0.39 0.00 0.00 64.86 63.99 3m7w h ILE 98 Cb -0.07 1.74 -0.06 0.00 -3.07 0.00 0.00 36.82 35.35 3m7w h ILE 98 CO -0.04 0.20 0.60 0.44 -0.69 0.00 0.00 178.15 178.65 3m7w h ASP 99 N -0.36 0.90 0.27 1.72 3.32 -1.01 0.23 116.42 121.50 3m7w h ASP 99 Ca -0.00 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3m7w h ASP 99 Cb 0.34 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 3m7w h ASP 99 CO 0.00 0.55 -0.17 0.25 -1.72 0.00 0.00 179.24 178.16 3m7w h LEU 100 N 1.01 -0.43 -0.87 1.55 5.85 -0.90 -0.18 115.31 121.34 3m7w h LEU 100 Ca 0.42 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 59.11 3m7w h LEU 100 Cb 0.29 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 3m7w h LEU 100 CO -0.17 -0.27 0.23 0.78 -0.34 0.00 0.00 178.44 178.66 3m7w h ASN 101 N -0.43 0.99 -0.45 1.25 2.35 -1.02 -1.37 115.58 116.91 3m7w h ASN 101 Ca -0.03 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.49 3m7w h ASN 101 Cb 0.36 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 3m7w h ASN 101 CO 0.02 0.92 0.06 0.03 -1.65 0.00 0.00 177.43 176.81 3m7w h ARG 102 N 1.03 0.82 -0.49 0.81 3.08 -0.85 -0.73 114.38 118.06 3m7w h ARG 102 Ca 0.23 -0.20 -0.10 0.00 0.07 0.00 0.00 59.98 59.99 3m7w h ARG 102 Cb 0.27 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3m7w h ARG 102 CO -0.01 0.78 -0.09 0.00 -1.07 0.00 0.00 179.97 179.59 3m7w h ALA 103 N 1.29 0.93 -0.14 0.04 0.00 -0.62 -0.84 119.26 119.92 3m7w h ALA 103 Ca 0.16 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3m7w h ALA 103 Cb 0.38 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3m7w h ALA 103 CO 0.01 0.63 0.03 0.00 0.00 0.00 0.00 179.25 179.92 3m7w h ALA 104 N 1.10 0.19 -0.49 0.00 0.00 -0.88 -1.87 119.26 117.30 3m7w h ALA 104 Ca 0.13 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3m7w h ALA 104 Cb 0.60 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 3m7w h ALA 104 CO 0.04 -0.17 0.22 0.28 0.00 0.00 0.00 179.25 179.61 3m7w h VAL 105 N 0.03 0.91 0.00 0.00 2.07 -1.00 -2.83 116.25 115.42 3m7w h VAL 105 Ca 0.04 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 3m7w h VAL 105 Cb 0.26 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3m7w h VAL 105 CO 0.00 0.08 -0.29 -0.78 0.02 0.00 0.00 177.57 176.59 3m7w h ASP 106 N 0.43 0.00 0.37 0.57 3.58 -1.05 -3.21 116.42 117.11 3m7w h ASP 106 Ca 0.22 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.63 3m7w h ASP 106 Cb 0.18 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 3m7w h ASP 106 CO -0.19 0.29 -0.21 0.77 -2.88 0.00 0.00 179.24 177.02 3m7w h SER 107 N 0.00 0.00 0.00 2.28 4.64 -1.08 -3.46 113.55 115.93 3m7w h SER 107 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m7w h SER 107 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3m7w h SER 107 CO 0.04 0.21 0.00 0.61 -0.87 0.00 0.00 176.83 176.82 3m7w n GLY 108 N -0.63 0.80 0.08 -0.77 0.00 -1.21 -4.88 105.19 98.58 3m7w n GLY 108 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 3m7w n GLY 108 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3m7w h LEU 109 N 0.00 0.00 -8.57 0.99 3.38 -1.87 -3.46 115.31 105.78 3m7w h LEU 109 Ca 0.00 -0.16 -0.63 0.00 0.09 0.00 0.00 57.88 57.18 3m7w h LEU 109 Cb 0.01 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.49 3m7w h LEU 109 CO 0.00 0.08 -0.86 0.68 0.09 0.00 0.00 178.44 178.43 3m7w s VAL 110 N -3.19 1.82 -0.15 1.22 -7.23 -1.26 -4.87 120.40 106.73 3m7w s VAL 110 Ca 0.06 -1.14 0.18 0.00 -1.81 0.00 0.00 61.98 59.27 3m7w s VAL 110 Cb 0.12 -1.54 -0.10 0.00 0.56 0.00 0.00 36.38 35.43 3m7w s VAL 110 CO 0.72 0.37 0.90 0.44 -0.31 0.00 0.00 175.10 177.22 3m7w h ASP 111 N 5.16 0.00 -5.05 4.85 3.32 -1.58 -3.47 116.42 119.65 3m7w h ASP 111 Ca -0.42 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.52 3m7w h ASP 111 Cb 1.14 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.52 3m7w h ASP 111 CO 0.45 0.46 -0.33 -0.04 -1.72 0.00 0.00 179.24 178.06 3m7w s MET 112 N -3.01 0.71 0.08 3.56 -1.94 -0.93 -1.46 119.30 116.31 3m7w s MET 112 Ca -0.02 -0.51 0.06 0.00 -1.71 0.00 0.00 55.69 53.51 3m7w s MET 112 Cb 0.09 0.30 -0.03 0.00 2.01 0.00 0.00 34.83 37.20 3m7w s MET 112 CO 0.80 -0.21 -0.16 0.96 -0.01 0.00 0.00 175.02 176.40 3m7w s ILE 113 N -2.31 1.25 -0.19 2.53 -4.36 -0.34 -0.99 121.20 116.79 3m7w s ILE 113 Ca -0.07 -1.37 -0.09 0.00 -0.26 0.00 0.00 60.65 58.86 3m7w s ILE 113 Cb -0.02 -1.19 -0.05 0.00 1.25 0.00 0.00 42.46 42.45 3m7w s ILE 113 CO -0.02 -0.19 0.10 -0.62 0.24 0.00 0.00 174.94 174.45 3m7w s ASP 114 N -1.79 5.95 -0.11 4.36 -1.08 -0.26 -0.84 116.67 122.89 3m7w s ASP 114 Ca 0.00 0.16 0.02 0.00 -0.52 0.00 0.00 52.55 52.21 3m7w s ASP 114 Cb -0.10 -2.03 0.01 0.00 -1.46 0.00 0.00 42.92 39.34 3m7w s ASP 114 CO 0.03 0.17 -0.16 -0.76 0.52 0.00 0.00 175.17 174.97 3m7w s LEU 115 N 0.39 1.78 0.08 -1.34 1.43 -0.36 -4.64 118.68 116.02 3m7w s LEU 115 Ca 0.06 -0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 52.40 3m7w s LEU 115 Cb -0.12 -1.13 -0.06 0.00 0.03 0.00 0.00 46.19 44.91 3m7w s LEU 115 CO -0.01 0.03 1.19 -1.61 0.23 0.00 0.00 176.35 176.18 3m7w s GLU 116 N 0.94 4.45 0.25 1.70 2.02 -1.26 -0.89 118.70 125.92 3m7w s GLU 116 Ca -0.07 1.77 -0.03 0.00 0.02 0.00 0.00 54.97 56.67 3m7w s GLU 116 Cb -0.15 -3.33 0.49 0.00 0.10 0.00 0.00 34.13 31.24 3m7w s GLU 116 CO -0.01 -0.21 1.76 1.25 0.02 0.00 0.00 175.26 178.06 3m7w h LEU 117 N 6.52 0.46 -0.30 1.80 5.85 -0.90 -2.22 115.31 126.51 3m7w h LEU 117 Ca -0.42 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.39 3m7w h LEU 117 Cb 1.21 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3m7w h LEU 117 CO 0.80 0.20 0.00 0.49 -0.34 0.00 0.00 178.44 179.59 3m7w n PHE 118 N -4.90 0.00 0.15 1.25 3.72 -1.26 -3.83 117.46 112.59 3m7w n PHE 118 Ca 0.16 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.57 3m7w n PHE 118 Cb 0.41 -0.03 0.36 0.00 -0.94 0.00 0.00 39.48 39.28 3m7w n PHE 118 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 3m7w h THR 119 N 0.00 1.23 0.00 4.37 2.02 -1.79 -3.48 112.91 115.26 3m7w h THR 119 Ca 0.00 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.10 3m7w h THR 119 Cb 0.14 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 3m7w h THR 119 CO 0.00 0.32 0.00 0.61 0.37 0.00 0.00 175.52 176.82 3m7w n GLY 120 N -0.61 4.14 0.19 2.16 0.00 -1.25 -4.88 105.19 104.94 3m7w n GLY 120 Ca -0.01 -1.02 -0.06 0.00 0.00 0.00 0.00 46.02 44.93 3m7w n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3m7w h ASP 121 N 0.00 0.37 -0.10 1.61 5.19 -1.93 0.09 116.42 121.65 3m7w h ASP 121 Ca 0.00 0.02 0.03 0.00 -0.62 0.00 0.00 57.03 56.46 3m7w h ASP 121 Cb 0.00 -0.05 -0.04 0.00 0.18 0.00 0.00 39.33 39.42 3m7w h ASP 121 CO 0.00 0.26 -0.11 0.44 -3.12 0.00 0.00 179.24 176.71 3m7w h ASP 122 N 0.49 -0.35 -0.50 6.45 3.32 -1.99 -0.30 116.42 123.54 3m7w h ASP 122 Ca 0.19 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 3m7w h ASP 122 Cb 0.08 0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3m7w h ASP 122 CO -0.12 -0.15 0.16 -0.33 -1.72 0.00 0.00 179.24 177.08 3m7w h GLU 123 N -0.14 0.78 0.14 3.56 3.07 -1.83 -2.13 114.58 118.03 3m7w h GLU 123 Ca 0.07 -0.17 -0.01 0.00 -0.50 0.00 0.00 59.36 58.76 3m7w h GLU 123 Cb 0.25 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 3m7w h GLU 123 CO -0.18 0.72 -0.07 0.28 -1.40 0.00 0.00 179.01 178.36 3m7w h VAL 124 N 0.68 0.95 -0.60 3.13 2.07 -0.80 -1.73 116.25 119.95 3m7w h VAL 124 Ca 0.16 -0.39 0.07 0.00 0.82 0.00 0.00 66.70 67.36 3m7w h VAL 124 Cb 0.27 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 3m7w h VAL 124 CO -0.01 0.09 0.28 0.11 0.02 0.00 0.00 177.57 178.07 3m7w h LYS 125 N -0.38 0.50 -0.57 1.57 1.57 -1.05 0.23 116.57 118.45 3m7w h LYS 125 Ca -0.02 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3m7w h LYS 125 Cb 0.30 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 3m7w h LYS 125 CO 0.03 0.33 0.24 0.00 -0.57 0.00 0.00 179.45 179.48 3m7w h ALA 126 N 1.35 0.73 -0.02 3.86 0.00 -1.34 -1.33 119.26 122.51 3m7w h ALA 126 Ca 0.28 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.84 3m7w h ALA 126 Cb 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3m7w h ALA 126 CO -0.22 0.34 -0.83 1.15 0.00 0.00 0.00 179.25 179.68 3m7w h THR 127 N 0.77 1.44 -0.40 0.00 2.02 -0.72 -0.67 112.91 115.37 3m7w h THR 127 Ca 0.19 -2.43 -0.02 0.00 0.77 0.00 0.00 66.41 64.92 3m7w h THR 127 Cb 0.18 2.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 3m7w h THR 127 CO -0.02 0.72 0.17 0.58 0.37 0.00 0.00 175.52 177.34 3m7w h VAL 128 N 0.17 1.19 -0.55 3.16 2.07 -0.50 0.67 116.25 122.45 3m7w h VAL 128 Ca -0.04 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 66.94 3m7w h VAL 128 Cb 1.44 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 3m7w h VAL 128 CO 0.13 0.21 0.33 1.23 0.02 0.00 0.00 177.57 179.49 3m7w h GLY 129 N 0.50 0.78 0.91 2.17 0.00 -1.03 -1.02 103.07 105.37 3m7w h GLY 129 Ca 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 3m7w h GLY 129 CO -0.01 0.21 0.10 -1.82 0.00 0.00 0.00 176.54 175.02 3m7w h TYR 130 N 0.65 0.39 -0.33 5.60 3.20 -0.84 -1.71 116.97 123.93 3m7w h TYR 130 Ca 0.22 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.11 3m7w h TYR 130 Cb 0.03 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 3m7w h TYR 130 CO -0.06 0.40 0.08 0.00 -1.64 0.00 0.00 178.16 176.94 3m7w h ALA 131 N 0.95 0.36 0.00 1.82 0.00 -0.53 -2.14 119.26 119.72 3m7w h ALA 131 Ca 0.09 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3m7w h ALA 131 Cb 0.18 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3m7w h ALA 131 CO -0.01 -0.32 -0.18 0.45 0.00 0.00 0.00 179.25 179.19 3m7w h HIS 132 N 0.21 0.00 0.00 0.00 3.86 -0.98 0.11 115.15 118.35 3m7w h HIS 132 Ca 0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 3m7w h HIS 132 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 3m7w h HIS 132 CO -0.17 0.18 0.00 1.96 0.86 0.00 0.00 177.93 180.76 3m7w h GLN 133 N 0.00 0.00 -0.09 2.45 4.20 -0.63 -2.99 115.11 118.05 3m7w h GLN 133 Ca -0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3m7w h GLN 133 Cb 0.39 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 3m7w h GLN 133 CO 0.02 0.00 -0.16 0.72 -0.67 0.00 0.00 178.83 178.74 3m7w n HIS 134 N -2.49 0.30 -3.62 2.96 8.25 -0.37 -4.98 115.22 115.26 3m7w n HIS 134 Ca 0.02 -1.22 -0.27 0.00 -0.26 0.00 0.00 57.72 56.00 3m7w n HIS 134 Cb 0.30 -0.25 0.03 0.00 1.12 0.00 0.00 29.99 31.18 3m7w n HIS 134 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3m7w n ASN 135 N -1.16 -5.21 -4.39 0.41 5.15 -0.98 -4.98 115.26 104.09 3m7w n ASN 135 Ca 0.20 -0.59 -0.34 0.00 -0.60 0.00 0.00 54.58 53.25 3m7w n ASN 135 Cb 0.75 -4.17 -0.14 0.00 -0.53 0.00 0.00 39.78 35.70 3m7w n ASN 135 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3m7w s VAL 136 N -3.23 3.41 0.47 3.44 1.01 -0.12 -4.95 120.40 120.44 3m7w s VAL 136 Ca 0.55 -0.52 -0.19 0.00 0.00 0.00 0.00 61.98 61.83 3m7w s VAL 136 Cb -0.27 -2.49 -0.09 0.00 0.00 0.00 0.00 36.38 33.53 3m7w s VAL 136 CO 0.68 0.48 0.98 0.00 0.00 0.00 0.00 175.10 177.25 3m7w s ALA 137 N 0.71 3.01 -0.16 5.51 0.00 -0.54 -3.66 121.76 126.63 3m7w s ALA 137 Ca -0.04 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.30 3m7w s ALA 137 Cb -0.15 -3.16 0.02 0.00 0.00 0.00 0.00 23.12 19.83 3m7w s ALA 137 CO 0.02 -0.09 -0.20 0.08 0.00 0.00 0.00 175.76 175.57 3m7w s VAL 138 N -2.30 1.97 -0.25 0.00 1.01 -1.26 -1.20 120.40 118.37 3m7w s VAL 138 Ca 0.62 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 61.51 3m7w s VAL 138 Cb -0.11 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 3m7w s VAL 138 CO 0.21 0.53 0.55 -0.63 0.00 0.00 0.00 175.10 175.76 3m7w s ILE 139 N 1.12 5.05 -0.22 2.22 1.01 -0.02 -1.02 121.20 129.35 3m7w s ILE 139 Ca -0.00 0.98 -0.10 0.00 0.00 0.00 0.00 60.65 61.53 3m7w s ILE 139 Cb -0.14 -3.87 -0.05 0.00 0.01 0.00 0.00 42.46 38.42 3m7w s ILE 139 CO -0.08 0.08 0.13 -0.32 0.00 0.00 0.00 174.94 174.75 3m7w s MET 140 N 2.26 4.11 0.24 2.79 1.75 -0.73 -1.23 119.30 128.49 3m7w s MET 140 Ca 0.23 -0.26 0.07 0.00 -1.25 0.00 0.00 55.69 54.49 3m7w s MET 140 Cb -0.16 -3.44 -0.05 0.00 2.84 0.00 0.00 34.83 34.02 3m7w s MET 140 CO 0.09 0.19 -0.10 -1.54 -0.65 0.00 0.00 175.02 173.01 3m7w s SER 141 N 0.67 2.67 -0.16 1.11 1.04 -0.07 -0.49 113.70 118.47 3m7w s SER 141 Ca 0.07 -1.10 -0.12 0.00 0.48 0.00 0.00 55.95 55.28 3m7w s SER 141 Cb -0.12 -0.15 0.05 0.00 0.10 0.00 0.00 66.02 65.89 3m7w s SER 141 CO 0.01 -0.25 0.40 0.21 0.98 0.00 0.00 173.24 174.59 3m7w s ASN 142 N -3.38 -0.45 -0.01 7.02 3.84 -0.79 -0.17 114.94 121.01 3m7w s ASN 142 Ca 0.26 0.83 0.04 0.00 0.21 0.00 0.00 52.86 54.20 3m7w s ASN 142 Cb 0.01 0.80 -0.01 0.00 -0.55 0.00 0.00 41.25 41.50 3m7w s ASN 142 CO 0.09 -0.16 -0.12 -1.00 -2.79 0.00 0.00 177.10 173.12 3m7w s HIS 143 N 0.62 1.08 -0.26 0.43 3.76 -1.26 -1.17 115.29 118.50 3m7w s HIS 143 Ca -0.03 -0.21 -0.01 0.00 -0.15 0.00 0.00 55.06 54.66 3m7w s HIS 143 Cb -0.05 -0.69 0.08 0.00 1.11 0.00 0.00 32.58 33.03 3m7w s HIS 143 CO -0.04 -0.02 0.05 0.34 -0.85 0.00 0.00 174.74 174.22 3m7w s ASP 144 N -0.32 3.64 0.00 1.40 -1.08 -0.03 -4.88 116.67 115.40 3m7w s ASP 144 Ca 0.04 -1.29 0.29 0.00 -0.52 0.00 0.00 52.55 51.08 3m7w s ASP 144 Cb -0.05 -0.85 1.31 0.00 -1.46 0.00 0.00 42.92 41.87 3m7w s ASP 144 CO -0.00 -0.34 1.91 0.49 0.52 0.00 0.00 175.17 177.74 3m7w n PHE 145 N 4.87 0.00 -0.12 -5.34 3.72 -1.26 -1.05 117.46 118.28 3m7w n PHE 145 Ca -0.06 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.14 3m7w n PHE 145 Cb 0.44 -0.16 -0.10 0.00 -0.94 0.00 0.00 39.48 38.72 3m7w n PHE 145 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 3m7w n HIS 146 N -0.92 0.00 -4.11 1.38 -0.00 -1.26 -4.76 115.22 105.55 3m7w n HIS 146 Ca 0.16 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.18 3m7w n HIS 146 Cb 0.26 -0.86 -0.04 0.00 -0.12 0.00 0.00 29.99 29.23 3m7w n HIS 146 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 3m7w s LYS 147 N -2.45 1.96 -0.23 1.57 -2.85 -1.25 -4.78 119.74 111.73 3m7w s LYS 147 Ca -0.32 -1.83 -0.01 0.00 -1.00 0.00 0.00 55.97 52.80 3m7w s LYS 147 Cb 0.10 0.44 0.02 0.00 -2.06 0.00 0.00 37.83 36.33 3m7w s LYS 147 CO 0.48 -0.81 -0.08 0.99 0.10 0.00 0.00 175.35 176.02 3m7w s THR 148 N -2.95 2.81 0.89 3.79 2.01 -0.94 -2.68 115.64 118.57 3m7w s THR 148 Ca 0.32 -0.93 -0.12 0.00 0.31 0.00 0.00 61.69 61.27 3m7w s THR 148 Cb -0.00 -2.36 0.13 0.00 0.01 0.00 0.00 72.50 70.27 3m7w s THR 148 CO 0.22 0.29 1.12 -2.84 -0.69 0.00 0.00 174.62 172.73 3m7w s PRO 149 N 1.34 1.28 0.60 4.92 0.02 -1.26 -4.97 135.00 136.93 3m7w s PRO 149 Ca 0.02 0.42 -0.19 0.00 0.02 0.00 0.00 61.00 61.27 3m7w s PRO 149 Cb -0.16 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.48 3m7w s PRO 149 CO -0.06 -2.13 1.15 0.00 -0.33 0.00 0.00 177.00 175.63 3m7w n ALA 150 N -3.74 0.75 -0.25 -1.55 0.00 -1.26 -4.71 120.51 109.75 3m7w n ALA 150 Ca 0.06 0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.59 3m7w n ALA 150 Cb 0.58 -2.22 0.18 0.00 0.00 0.00 0.00 19.45 17.99 3m7w n ALA 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m7w h ALA 151 N 0.73 0.98 -0.96 0.00 0.00 -1.94 0.83 119.26 118.91 3m7w h ALA 151 Ca -0.49 0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.64 3m7w h ALA 151 Cb 1.34 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 19.23 3m7w h ALA 151 CO 0.53 -0.29 0.62 1.05 0.00 0.00 0.00 179.25 181.16 3m7w h GLU 152 N 0.34 1.01 -0.06 0.00 9.09 -1.95 0.42 114.58 123.42 3m7w h GLU 152 Ca 0.41 -0.06 -0.20 0.00 0.05 0.00 0.00 59.36 59.55 3m7w h GLU 152 Cb 0.66 -0.23 -0.00 0.00 -1.65 0.00 0.00 28.75 27.53 3m7w h GLU 152 CO -0.46 0.67 -0.80 1.49 0.05 0.00 0.00 179.01 179.96 3m7w h GLU 153 N 1.04 0.47 -0.33 1.06 4.81 -1.24 -0.76 114.58 119.64 3m7w h GLU 153 Ca 0.43 -0.42 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3m7w h GLU 153 Cb 0.29 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 3m7w h GLU 153 CO -0.18 1.06 0.18 0.82 -0.73 0.00 0.00 179.01 180.16 3m7w h ILE 154 N 0.30 1.13 -0.65 2.32 2.04 -0.39 -1.12 117.51 121.15 3m7w h ILE 154 Ca -0.05 -0.33 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 3m7w h ILE 154 Cb 1.41 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 3m7w h ILE 154 CO 0.14 0.13 0.16 0.58 0.00 0.00 0.00 178.15 179.16 3m7w h VAL 155 N 0.41 1.25 -0.33 1.67 2.07 -0.88 -1.65 116.25 118.79 3m7w h VAL 155 Ca 0.12 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.73 3m7w h VAL 155 Cb 0.05 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3m7w h VAL 155 CO -0.02 0.35 0.19 -0.61 0.02 0.00 0.00 177.57 177.50 3m7w h GLN 156 N 0.97 0.38 -0.23 1.57 4.15 -0.78 -0.17 115.11 120.99 3m7w h GLN 156 Ca 0.21 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.60 3m7w h GLN 156 Cb 0.34 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 3m7w h GLN 156 CO 0.00 0.25 0.14 0.00 -1.93 0.00 0.00 178.83 177.29 3m7w h ARG 157 N 0.39 0.32 -0.97 1.69 3.08 -0.85 -1.45 114.38 116.60 3m7w h ARG 157 Ca 0.13 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.18 3m7w h ARG 157 Cb 0.00 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 29.93 3m7w h ARG 157 CO -0.06 0.26 0.64 -0.07 -1.07 0.00 0.00 179.97 179.66 3m7w h LEU 158 N 0.29 1.07 -0.34 3.04 3.38 -0.92 -1.21 115.31 120.62 3m7w h LEU 158 Ca 0.08 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.85 3m7w h LEU 158 Cb 0.02 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3m7w h LEU 158 CO -0.02 0.74 -0.70 0.03 0.09 0.00 0.00 178.44 178.59 3m7w h ARG 159 N 1.25 0.59 -0.60 1.13 3.08 -0.89 -2.50 114.38 116.43 3m7w h ARG 159 Ca 0.38 -0.45 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3m7w h ARG 159 Cb -0.04 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 3m7w h ARG 159 CO -0.11 1.07 0.34 -0.22 -1.07 0.00 0.00 179.97 179.99 3m7w h LYS 160 N 0.41 0.82 -0.54 0.04 1.63 -0.84 -0.27 116.57 117.83 3m7w h LYS 160 Ca -0.03 -0.08 -0.02 0.00 -0.85 0.00 0.00 60.65 59.67 3m7w h LYS 160 Cb 1.29 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 32.72 3m7w h LYS 160 CO 0.13 0.59 0.25 0.52 -3.45 0.00 0.00 179.45 177.49 3m7w h MET 161 N 0.83 0.79 -0.66 1.90 2.86 -1.02 -0.79 114.93 118.84 3m7w h MET 161 Ca 0.22 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3m7w h MET 161 Cb -0.00 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 3m7w h MET 161 CO -0.04 0.66 0.35 1.96 1.06 0.00 0.00 176.91 180.91 3m7w h GLN 162 N 0.73 0.92 -0.75 1.72 4.20 -0.92 -1.98 115.11 119.03 3m7w h GLN 162 Ca 0.18 -0.11 0.01 0.00 0.06 0.00 0.00 58.65 58.79 3m7w h GLN 162 Cb 0.15 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.71 3m7w h GLN 162 CO -0.02 0.70 0.49 1.49 -0.67 0.00 0.00 178.83 180.82 3m7w h GLU 163 N 0.90 1.00 0.00 1.46 4.81 -0.77 -1.07 114.58 120.91 3m7w h GLU 163 Ca 0.23 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3m7w h GLU 163 Cb 0.05 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.21 3m7w h GLU 163 CO -0.04 0.67 0.00 1.28 -0.73 0.00 0.00 179.01 180.19 3m7w n LEU 164 N -4.42 0.00 0.00 1.64 4.77 -0.33 -4.91 117.00 113.76 3m7w n LEU 164 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3m7w n LEU 164 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3m7w n LEU 164 CO 0.36 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3m7w n GLY 165 N 0.95 0.86 3.67 -0.72 0.00 -0.40 -4.67 105.19 104.88 3m7w n GLY 165 Ca 0.23 -0.04 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 3m7w n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m7w n ALA 166 N -1.19 0.92 0.09 4.61 0.00 -0.76 -4.90 120.51 119.29 3m7w n ALA 166 Ca 0.00 0.39 -0.21 0.00 0.00 0.00 0.00 53.44 53.61 3m7w n ALA 166 Cb 0.00 -2.21 -0.13 0.00 0.00 0.00 0.00 19.45 17.11 3m7w n ALA 166 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3m7w h ASP 167 N 3.01 0.82 -3.02 0.00 3.32 -1.42 -3.44 116.42 115.70 3m7w h ASP 167 Ca -0.45 -0.77 -0.53 0.00 0.02 0.00 0.00 57.03 55.31 3m7w h ASP 167 Cb 1.29 -0.26 -0.40 0.00 0.22 0.00 0.00 39.33 40.18 3m7w h ASP 167 CO 0.67 1.57 -0.77 -0.63 -1.72 0.00 0.00 179.24 178.36 3m7w s ILE 168 N -2.96 0.29 0.40 0.35 1.01 -0.74 -4.30 121.20 115.25 3m7w s ILE 168 Ca -0.09 -0.79 -0.26 0.00 0.00 0.00 0.00 60.65 59.51 3m7w s ILE 168 Cb 0.06 -1.10 -0.09 0.00 0.01 0.00 0.00 42.46 41.34 3m7w s ILE 168 CO 0.93 -0.54 1.27 -2.84 0.00 0.00 0.00 174.94 173.75 3m7w s PRO 169 N 1.93 4.00 -0.01 2.79 0.02 -1.24 -1.78 135.00 140.72 3m7w s PRO 169 Ca 0.06 2.08 -0.00 0.00 0.02 0.00 0.00 61.00 63.16 3m7w s PRO 169 Cb -0.17 -2.75 0.02 0.00 0.02 0.00 0.00 34.50 31.63 3m7w s PRO 169 CO -0.24 -0.44 0.02 0.21 -0.33 0.00 0.00 177.00 176.22 3m7w s LYS 170 N -2.23 -0.02 -0.04 5.54 2.20 0.36 -0.80 119.74 124.74 3m7w s LYS 170 Ca 0.57 0.12 -0.02 0.00 -0.36 0.00 0.00 55.97 56.28 3m7w s LYS 170 Cb -0.36 -0.16 0.03 0.00 -1.51 0.00 0.00 37.83 35.83 3m7w s LYS 170 CO 0.46 -0.11 0.08 -1.50 -0.36 0.00 0.00 175.35 173.93 3m7w s ILE 171 N 0.68 -0.04 -0.12 5.43 2.07 -0.61 -1.88 121.20 126.73 3m7w s ILE 171 Ca -0.06 0.15 0.02 0.00 -1.41 0.00 0.00 60.65 59.35 3m7w s ILE 171 Cb -0.08 -0.15 0.01 0.00 0.13 0.00 0.00 42.46 42.38 3m7w s ILE 171 CO -0.02 0.06 -0.17 0.00 -1.91 0.00 0.00 174.94 172.91 3m7w s ALA 172 N 0.87 1.84 0.13 1.50 0.00 -0.32 -2.06 121.76 123.71 3m7w s ALA 172 Ca -0.07 -0.83 0.05 0.00 0.00 0.00 0.00 51.96 51.11 3m7w s ALA 172 Cb -0.09 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 3m7w s ALA 172 CO -0.03 -0.09 -0.12 0.14 0.00 0.00 0.00 175.76 175.65 3m7w s VAL 173 N 0.99 1.21 -0.24 0.00 -7.23 -0.83 -0.85 120.40 113.46 3m7w s VAL 173 Ca -0.06 -1.84 -0.08 0.00 -1.81 0.00 0.00 61.98 58.19 3m7w s VAL 173 Cb -0.15 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.14 3m7w s VAL 173 CO -0.02 -0.56 0.10 -0.32 -0.31 0.00 0.00 175.10 173.98 3m7w s MET 174 N -3.09 3.83 0.33 4.82 1.75 -0.21 -0.34 119.30 126.39 3m7w s MET 174 Ca 0.11 -0.39 -0.22 0.00 -1.25 0.00 0.00 55.69 53.94 3m7w s MET 174 Cb -0.02 -3.38 -0.10 0.00 2.84 0.00 0.00 34.83 34.17 3m7w s MET 174 CO 0.02 -0.05 0.87 -1.25 -0.65 0.00 0.00 175.02 173.96 3m7w s PRO 175 N 1.28 4.35 -0.01 4.11 0.04 -1.26 -2.22 135.00 141.29 3m7w s PRO 175 Ca 0.06 1.09 0.13 0.00 0.04 0.00 0.00 61.00 62.32 3m7w s PRO 175 Cb -0.15 -2.61 -0.18 0.00 0.04 0.00 0.00 34.50 31.60 3m7w s PRO 175 CO 0.05 0.21 0.40 1.04 0.04 0.00 0.00 177.00 178.74 3m7w n GLN 176 N 0.17 1.33 -4.18 4.56 6.02 -1.26 -4.97 117.38 119.05 3m7w n GLN 176 Ca 0.03 -0.07 -0.12 0.00 -0.01 0.00 0.00 57.00 56.83 3m7w n GLN 176 Cb 0.52 -1.24 -0.10 0.00 1.02 0.00 0.00 30.24 30.44 3m7w n GLN 176 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3m7w s THR 177 N -2.65 0.01 0.19 5.09 -4.23 -1.26 -5.05 115.64 107.74 3m7w s THR 177 Ca -0.01 -1.94 -0.09 0.00 -1.18 0.00 0.00 61.69 58.48 3m7w s THR 177 Cb 0.09 -2.44 0.11 0.00 1.34 0.00 0.00 72.50 71.60 3m7w s THR 177 CO 0.55 -0.03 1.70 0.11 -0.54 0.00 0.00 174.62 176.42 3m7w h LYS 178 N 2.60 1.12 -0.13 3.99 1.57 -1.96 -2.58 116.57 121.18 3m7w h LYS 178 Ca -0.35 -0.28 0.03 0.00 -1.87 0.00 0.00 60.65 58.18 3m7w h LYS 178 Cb 1.25 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 3m7w h LYS 178 CO 0.52 1.00 0.09 0.00 -0.57 0.00 0.00 179.45 180.49 3m7w h ALA 179 N 1.07 2.10 -0.09 3.86 0.00 -2.00 -1.74 119.26 122.45 3m7w h ALA 179 Ca 0.21 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3m7w h ALA 179 Cb 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3m7w h ALA 179 CO 0.01 -0.13 -0.12 -0.44 0.00 0.00 0.00 179.25 178.57 3m7w h ASP 180 N 0.02 0.13 -0.31 0.00 3.32 -1.87 -0.84 116.42 116.88 3m7w h ASP 180 Ca 0.06 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 3m7w h ASP 180 Cb 0.22 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3m7w h ASP 180 CO -0.00 0.27 0.05 0.58 -1.72 0.00 0.00 179.24 178.42 3m7w h VAL 181 N 0.14 1.23 -0.28 -1.35 2.07 -1.40 -2.30 116.25 114.36 3m7w h VAL 181 Ca 0.03 -0.80 -0.08 0.00 0.82 0.00 0.00 66.70 66.67 3m7w h VAL 181 Cb 0.30 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 3m7w h VAL 181 CO 0.02 0.26 -0.17 -0.07 0.02 0.00 0.00 177.57 177.63 3m7w h LEU 182 N 0.34 0.49 -0.62 2.57 3.38 -1.41 -1.71 115.31 118.35 3m7w h LEU 182 Ca 0.09 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3m7w h LEU 182 Cb 0.34 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3m7w h LEU 182 CO 0.01 0.68 0.28 0.74 0.09 0.00 0.00 178.44 180.24 3m7w h THR 183 N 0.46 1.22 -0.70 0.22 2.02 -1.01 0.11 112.91 115.22 3m7w h THR 183 Ca 0.08 -0.66 -0.05 0.00 0.77 0.00 0.00 66.41 66.55 3m7w h THR 183 Cb 0.56 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 3m7w h THR 183 CO 0.04 0.26 0.26 0.25 0.37 0.00 0.00 175.52 176.70 3m7w h LEU 184 N 0.86 0.99 -0.54 2.58 7.12 -0.92 -1.45 115.31 123.94 3m7w h LEU 184 Ca 0.21 -0.19 -0.11 0.00 0.13 0.00 0.00 57.88 57.92 3m7w h LEU 184 Cb 0.15 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.01 3m7w h LEU 184 CO -0.02 0.91 -0.11 -0.07 -0.13 0.00 0.00 178.44 179.01 3m7w h LEU 185 N 1.01 1.03 -0.58 2.25 3.38 -1.00 -1.72 115.31 119.69 3m7w h LEU 185 Ca 0.23 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3m7w h LEU 185 Cb 0.24 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3m7w h LEU 185 CO -0.01 1.14 0.30 0.74 0.09 0.00 0.00 178.44 180.70 3m7w h THR 186 N 0.91 1.20 -0.79 0.22 2.02 -0.64 -0.61 112.91 115.21 3m7w h THR 186 Ca 0.14 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.75 3m7w h THR 186 Cb 0.68 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 3m7w h THR 186 CO 0.05 0.22 0.36 0.00 0.37 0.00 0.00 175.52 176.52 3m7w h ALA 187 N 1.13 1.14 -0.20 6.16 0.00 -1.14 -0.70 119.26 125.65 3m7w h ALA 187 Ca 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3m7w h ALA 187 Cb 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3m7w h ALA 187 CO -0.03 0.64 0.10 1.15 0.00 0.00 0.00 179.25 181.11 3m7w h THR 188 N 1.13 1.13 -0.32 0.00 2.02 -0.80 -0.49 112.91 115.58 3m7w h THR 188 Ca 0.27 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 3m7w h THR 188 Cb 0.15 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 3m7w h THR 188 CO -0.03 0.12 0.08 0.58 0.37 0.00 0.00 175.52 176.64 3m7w h VAL 189 N 0.20 1.22 -0.80 3.16 2.07 -0.89 -0.97 116.25 120.24 3m7w h VAL 189 Ca 0.07 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 3m7w h VAL 189 Cb 0.10 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 3m7w h VAL 189 CO -0.01 0.24 0.47 -0.33 0.02 0.00 0.00 177.57 177.96 3m7w h GLU 190 N 0.35 1.10 0.31 1.57 5.08 -1.03 -0.10 114.58 121.86 3m7w h GLU 190 Ca 0.10 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3m7w h GLU 190 Cb 0.29 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3m7w h GLU 190 CO 0.00 0.78 -0.15 1.98 -1.00 0.00 0.00 179.01 180.63 3m7w h MET 191 N 1.10 -0.40 -0.83 2.33 4.05 -0.97 -1.04 114.93 119.17 3m7w h MET 191 Ca 0.29 0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.71 3m7w h MET 191 Cb -0.02 0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 30.83 3m7w h MET 191 CO -0.05 -0.15 0.41 0.37 0.23 0.00 0.00 176.91 177.72 3m7w h GLN 192 N -0.60 1.19 0.19 0.39 -0.00 -1.08 0.29 115.11 115.50 3m7w h GLN 192 Ca -0.04 -0.17 -0.31 0.00 -0.00 0.00 0.00 58.65 58.13 3m7w h GLN 192 Cb 0.44 -0.22 0.02 0.00 0.00 0.00 0.00 27.48 27.72 3m7w h GLN 192 CO 0.07 0.91 -1.43 0.93 0.00 0.00 0.00 178.83 179.31 3m7w h GLU 193 N 1.18 0.40 0.00 1.69 5.08 -1.03 -3.38 114.58 118.51 3m7w h GLU 193 Ca 0.29 -0.69 -0.35 0.00 -1.00 0.00 0.00 59.36 57.61 3m7w h GLU 193 Cb 0.10 0.26 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 3m7w h GLU 193 CO -0.04 1.32 -2.34 0.54 -1.00 0.00 0.00 179.01 177.49 3m7w n ARG 194 N -3.61 0.75 -0.00 2.33 1.74 -0.39 -4.86 116.66 112.61 3m7w n ARG 194 Ca -0.14 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 3m7w n ARG 194 Cb 1.07 -1.48 -0.00 0.00 -1.02 0.00 0.00 32.46 31.02 3m7w n ARG 194 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3m7w n TYR 195 N -2.98 0.00 -2.48 -1.55 4.01 -0.50 -5.05 117.16 108.62 3m7w n TYR 195 Ca -0.37 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 56.96 3m7w n TYR 195 Cb 1.02 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 40.01 3m7w n TYR 195 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3m7w s ALA 196 N -2.01 3.39 -0.14 -0.72 0.00 0.91 -4.91 121.76 118.27 3m7w s ALA 196 Ca -0.00 0.86 0.15 0.00 0.00 0.00 0.00 51.96 52.97 3m7w s ALA 196 Cb 0.00 -3.36 0.32 0.00 0.00 0.00 0.00 23.12 20.08 3m7w s ALA 196 CO 0.01 -0.23 1.16 -0.40 0.00 0.00 0.00 175.76 176.30 3m7w n ASP 197 N 2.17 1.94 -3.87 0.00 5.75 -1.26 -4.88 116.55 116.41 3m7w n ASP 197 Ca 0.02 -3.26 -0.07 0.00 -0.01 0.00 0.00 54.79 51.47 3m7w n ASP 197 Cb 0.46 -0.44 -0.02 0.00 -1.03 0.00 0.00 41.12 40.08 3m7w n ASP 197 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3m7w s ARG 198 N -2.72 1.76 0.59 0.11 1.70 -1.26 -3.84 118.95 115.29 3m7w s ARG 198 Ca 0.32 -1.01 -0.17 0.00 -0.47 0.00 0.00 55.73 54.40 3m7w s ARG 198 Cb 0.30 0.60 -0.04 0.00 -0.57 0.00 0.00 34.95 35.23 3m7w s ARG 198 CO -0.01 -0.80 1.08 -2.14 -1.08 0.00 0.00 175.30 172.35 3m7w s PRO 199 N -3.93 3.25 0.10 3.89 0.02 -1.23 -4.84 135.00 132.27 3m7w s PRO 199 Ca 0.12 1.36 0.06 0.00 0.02 0.00 0.00 61.00 62.55 3m7w s PRO 199 Cb -0.05 -2.01 -0.03 0.00 0.02 0.00 0.00 34.50 32.42 3m7w s PRO 199 CO 0.07 -0.88 -0.15 0.96 -0.33 0.00 0.00 177.00 176.67 3m7w s ILE 200 N -2.22 1.29 -0.11 2.83 -4.36 -1.26 -3.61 121.20 113.75 3m7w s ILE 200 Ca 0.67 -1.53 0.03 0.00 -0.26 0.00 0.00 60.65 59.56 3m7w s ILE 200 Cb -0.19 -1.35 0.00 0.00 1.25 0.00 0.00 42.46 42.18 3m7w s ILE 200 CO 0.34 -0.29 -0.23 -0.63 0.24 0.00 0.00 174.94 174.37 3m7w s ILE 201 N -1.66 2.01 0.02 8.37 1.01 0.02 -0.04 121.20 130.93 3m7w s ILE 201 Ca 0.04 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 59.70 3m7w s ILE 201 Cb -0.08 -1.76 -0.01 0.00 0.01 0.00 0.00 42.46 40.62 3m7w s ILE 201 CO 0.03 0.55 0.02 0.42 0.00 0.00 0.00 174.94 175.95 3m7w s THR 202 N 0.55 0.10 -0.06 2.92 -4.23 -1.26 -1.57 115.64 112.09 3m7w s THR 202 Ca -0.14 -0.84 -0.19 0.00 -1.18 0.00 0.00 61.69 59.34 3m7w s THR 202 Cb -0.17 -0.31 0.04 0.00 1.34 0.00 0.00 72.50 73.40 3m7w s THR 202 CO 0.04 -0.46 0.43 0.00 -0.54 0.00 0.00 174.62 174.08 3m7w s MET 203 N -1.43 0.72 -0.28 3.99 0.23 -0.88 -4.81 119.30 116.85 3m7w s MET 203 Ca -0.16 0.12 -0.09 0.00 -1.03 0.00 0.00 55.69 54.53 3m7w s MET 203 Cb -0.09 0.33 -0.02 0.00 -1.53 0.00 0.00 34.83 33.51 3m7w s MET 203 CO -0.00 -0.18 0.12 0.45 -2.03 0.00 0.00 175.02 173.37 3m7w s SER 204 N -0.89 5.44 1.01 -1.18 0.15 -1.26 -1.96 113.70 115.01 3m7w s SER 204 Ca -0.10 -0.29 -0.16 0.00 0.70 0.00 0.00 55.95 56.11 3m7w s SER 204 Cb -0.04 -1.99 0.20 0.00 -1.71 0.00 0.00 66.02 62.49 3m7w s SER 204 CO 0.05 -0.10 1.20 -0.04 1.20 0.00 0.00 173.24 175.55 3m7w s MET 205 N 1.64 0.29 0.20 5.44 1.00 0.54 -4.15 119.30 124.28 3m7w s MET 205 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 55.69 55.66 3m7w s MET 205 Cb -0.16 -1.78 0.00 0.00 0.00 0.00 0.00 34.83 32.90 3m7w s MET 205 CO 0.06 -2.70 0.00 -1.13 0.00 0.00 0.00 175.02 171.25 3m7w n SER 206 N -4.04 -2.97 -0.33 3.03 3.41 -0.56 -3.21 113.62 108.94 3m7w n SER 206 Ca 0.12 0.46 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 3m7w n SER 206 Cb 0.59 -1.75 0.33 0.00 -0.26 0.00 0.00 64.21 63.13 3m7w n SER 206 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3m7w h LYS 207 N -0.51 0.74 -0.84 4.33 3.64 -1.85 -1.35 116.57 120.73 3m7w h LYS 207 Ca -0.05 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.31 3m7w h LYS 207 Cb 0.50 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.10 3m7w h LYS 207 CO 0.02 0.49 0.56 1.15 -2.27 0.00 0.00 179.45 179.40 3m7w h THR 208 N 0.76 1.17 -0.53 1.00 2.02 -1.94 -2.68 112.91 112.71 3m7w h THR 208 Ca 0.54 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 67.34 3m7w h THR 208 Cb 0.83 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 3m7w h THR 208 CO -0.31 0.20 0.00 0.61 0.37 0.00 0.00 175.52 176.38 3m7w n GLY 209 N -1.41 1.51 0.35 2.16 0.00 -0.53 -4.53 105.19 102.74 3m7w n GLY 209 Ca 0.10 -0.59 0.17 0.00 0.00 0.00 0.00 46.02 45.71 3m7w n GLY 209 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3m7w h VAL 210 N 3.18 0.62 0.00 1.61 3.04 -1.24 0.18 116.25 123.65 3m7w h VAL 210 Ca 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 3m7w h VAL 210 Cb 0.73 0.81 -0.00 0.00 -2.01 0.00 0.00 31.29 30.81 3m7w h VAL 210 CO 0.00 0.00 -0.06 -0.29 -1.01 0.00 0.00 177.57 176.21 3m7w h ILE 211 N 0.00 0.68 0.00 3.17 6.09 -1.83 -0.24 117.51 125.37 3m7w h ILE 211 Ca 0.14 -0.25 -0.01 0.00 -1.37 0.00 0.00 64.86 63.37 3m7w h ILE 211 Cb 0.66 1.15 -0.00 0.00 0.47 0.00 0.00 36.82 39.10 3m7w h ILE 211 CO -0.00 0.06 -0.04 0.77 -3.07 0.00 0.00 178.15 175.87 3m7w h SER 212 N 0.00 0.00 0.66 2.19 4.64 -0.93 -1.90 113.55 118.20 3m7w h SER 212 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m7w h SER 212 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3m7w h SER 212 CO 0.01 0.04 -0.34 0.54 -0.87 0.00 0.00 176.83 176.21 3m7w n ARG 213 N -3.14 0.01 -0.07 4.77 1.74 -0.11 -4.30 116.66 115.56 3m7w n ARG 213 Ca 0.01 -0.01 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 3m7w n ARG 213 Cb 0.35 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.19 3m7w n ARG 213 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3m7w n LEU 214 N -1.49 0.79 -1.94 0.55 4.77 -0.77 -4.73 117.00 114.19 3m7w n LEU 214 Ca 0.06 -0.02 -0.19 0.00 -0.03 0.00 0.00 56.01 55.83 3m7w n LEU 214 Cb 0.34 0.08 0.18 0.00 -2.33 0.00 0.00 43.42 41.69 3m7w n LEU 214 CO 0.32 0.45 1.12 0.00 -1.33 0.00 0.00 177.39 177.96 3m7w n ALA 215 N -2.63 5.27 0.26 -1.18 0.00 -0.88 -4.61 120.51 116.74 3m7w n ALA 215 Ca -0.24 -2.99 0.11 0.00 0.00 0.00 0.00 53.44 50.32 3m7w n ALA 215 Cb 0.91 -1.25 0.70 0.00 0.00 0.00 0.00 19.45 19.80 3m7w n ALA 215 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3m7w h GLY 216 N 1.02 0.00 1.03 0.00 0.00 -1.79 -2.08 103.07 101.25 3m7w h GLY 216 Ca 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.83 3m7w h GLY 216 CO 0.92 0.00 0.42 -2.09 0.00 0.00 0.00 176.54 175.78 3m7w h GLU 217 N 0.00 1.17 0.00 4.80 4.81 -1.82 -0.71 114.58 122.84 3m7w h GLU 217 Ca -0.00 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 3m7w h GLU 217 Cb 0.24 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 3m7w h GLU 217 CO 0.01 0.89 -0.17 -0.24 -0.73 0.00 0.00 179.01 178.78 3m7w h VAL 218 N 1.16 1.69 0.00 0.32 3.04 -1.86 -3.40 116.25 117.21 3m7w h VAL 218 Ca 0.29 -2.33 0.00 0.00 -1.01 0.00 0.00 66.70 63.64 3m7w h VAL 218 Cb 0.09 3.26 0.00 0.00 -2.01 0.00 0.00 31.29 32.63 3m7w h VAL 218 CO -0.04 0.58 -0.05 -0.26 -1.01 0.00 0.00 177.57 176.79 3m7w h PHE 219 N -0.98 0.00 0.00 3.17 0.04 -1.36 -3.48 116.94 114.33 3m7w h PHE 219 Ca -0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.73 3m7w h PHE 219 Cb 1.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.20 3m7w h PHE 219 CO 0.26 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.38 3m7w n GLY 220 N 1.24 1.54 3.69 -1.45 0.00 -0.29 -3.78 105.19 106.14 3m7w n GLY 220 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3m7w n GLY 220 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3m7w s SER 221 N -1.89 7.11 0.14 1.61 0.15 -1.14 -4.47 113.70 115.21 3m7w s SER 221 Ca 0.00 1.78 0.26 0.00 0.70 0.00 0.00 55.95 58.69 3m7w s SER 221 Cb 0.00 -2.56 0.81 0.00 -1.71 0.00 0.00 66.02 62.56 3m7w s SER 221 CO 0.00 -0.52 1.72 0.00 1.20 0.00 0.00 173.24 175.63 3m7w n ALA 222 N 4.93 2.46 -2.93 5.45 0.00 0.95 -4.34 120.51 127.02 3m7w n ALA 222 Ca 0.10 -0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3m7w n ALA 222 Cb 0.47 -1.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.46 3m7w n ALA 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m7w s ALA 223 N -3.08 -0.82 -0.06 0.00 0.00 -1.26 -1.66 121.76 114.88 3m7w s ALA 223 Ca 0.11 -0.13 -0.12 0.00 0.00 0.00 0.00 51.96 51.82 3m7w s ALA 223 Cb 0.14 0.64 0.02 0.00 0.00 0.00 0.00 23.12 23.93 3m7w s ALA 223 CO 0.61 -0.61 0.29 -0.08 0.00 0.00 0.00 175.76 175.97 3m7w s THR 224 N -3.74 0.03 -0.09 0.00 -1.32 -0.33 -4.58 115.64 105.60 3m7w s THR 224 Ca 0.03 -0.28 -0.11 0.00 -1.21 0.00 0.00 61.69 60.12 3m7w s THR 224 Cb 0.02 -0.51 -0.05 0.00 -1.51 0.00 0.00 72.50 70.45 3m7w s THR 224 CO -0.11 -0.15 0.26 -0.36 -2.21 0.00 0.00 174.62 172.05 3m7w s PHE 225 N -0.64 3.60 0.32 9.09 0.40 -1.26 -1.35 117.98 128.14 3m7w s PHE 225 Ca -0.07 0.69 0.07 0.00 -0.60 0.00 0.00 56.93 57.01 3m7w s PHE 225 Cb -0.04 -2.16 -0.06 0.00 0.51 0.00 0.00 43.02 41.27 3m7w s PHE 225 CO 0.02 0.57 -0.04 0.20 0.70 0.00 0.00 175.22 176.68 3m7w s GLY 226 N -0.64 2.06 -0.08 4.36 0.00 -0.30 -4.57 107.32 108.14 3m7w s GLY 226 Ca 0.18 -2.03 0.01 0.00 0.00 0.00 0.00 44.72 42.87 3m7w s GLY 226 CO 0.07 -1.92 -0.09 0.00 0.00 0.00 0.00 173.10 171.15 3m7w s ALA 227 N -2.91 2.85 -0.03 3.20 0.00 -0.15 -4.34 121.76 120.39 3m7w s ALA 227 Ca 0.32 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 3m7w s ALA 227 Cb 0.05 -1.20 -0.00 0.00 0.00 0.00 0.00 23.12 21.97 3m7w s ALA 227 CO 0.14 0.48 -0.01 0.28 0.00 0.00 0.00 175.76 176.65 3m7w h VAL 228 N 4.54 0.00 0.00 0.00 2.07 -1.90 -0.17 116.25 120.79 3m7w h VAL 228 Ca -0.43 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3m7w h VAL 228 Cb 1.18 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3m7w h VAL 228 CO 0.54 0.00 -1.00 0.29 0.02 0.00 0.00 177.57 177.42 3m7w n LYS 229 N -2.75 1.78 -5.08 1.57 5.02 -1.26 -4.74 118.16 112.69 3m7w n LYS 229 Ca -0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 3m7w n LYS 229 Cb 0.02 -1.00 -0.16 0.00 -0.02 0.00 0.00 35.03 33.87 3m7w n LYS 229 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3m7w s LYS 230 N -2.00 2.15 0.29 1.97 1.02 -1.26 -5.13 119.74 116.78 3m7w s LYS 230 Ca 0.00 -0.78 -0.29 0.00 0.02 0.00 0.00 55.97 54.92 3m7w s LYS 230 Cb 0.00 -1.87 -0.09 0.00 -0.52 0.00 0.00 37.83 35.35 3m7w s LYS 230 CO 0.00 0.35 1.08 0.00 -0.92 0.00 0.00 175.35 175.85 3m7w s ALA 231 N -0.15 3.36 -2.84 5.17 0.00 -1.26 -4.75 121.76 121.29 3m7w s ALA 231 Ca -0.02 0.85 0.24 0.00 0.00 0.00 0.00 51.96 53.03 3m7w s ALA 231 Cb -0.12 -3.31 0.36 0.00 0.00 0.00 0.00 23.12 20.05 3m7w s ALA 231 CO 0.02 -0.13 1.36 -1.13 0.00 0.00 0.00 175.76 175.88 3m7w n SER 232 N 1.08 2.83 -3.54 0.00 3.41 -1.26 -4.93 113.62 111.20 3m7w n SER 232 Ca -0.01 -1.92 -0.14 0.00 -0.26 0.00 0.00 58.87 56.54 3m7w n SER 232 Cb 0.46 -0.04 -0.05 0.00 -0.26 0.00 0.00 64.21 64.31 3m7w n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3m7w s ALA 233 N -1.92 -1.84 0.43 7.33 0.00 -1.26 -5.13 121.76 119.38 3m7w s ALA 233 Ca 0.31 1.40 -0.25 0.00 0.00 0.00 0.00 51.96 53.42 3m7w s ALA 233 Cb 0.20 -0.28 -0.08 0.00 0.00 0.00 0.00 23.12 22.97 3m7w s ALA 233 CO 0.31 -0.37 1.30 -2.14 0.00 0.00 0.00 175.76 174.85 3m7w s PRO 234 N -1.33 3.81 0.00 0.00 0.02 -1.26 -3.27 135.00 132.97 3m7w s PRO 234 Ca -0.06 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.09 3m7w s PRO 234 Cb -0.00 -2.63 0.00 0.00 0.02 0.00 0.00 34.50 31.88 3m7w s PRO 234 CO 0.04 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.51 3m7w n GLY 235 N 0.64 2.27 3.74 0.52 0.00 -1.26 -1.50 105.19 109.59 3m7w n GLY 235 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3m7w n GLY 235 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3m7w s GLN 236 N -0.92 4.33 0.47 1.61 -0.21 -1.20 -4.74 119.66 119.00 3m7w s GLN 236 Ca 0.00 2.19 0.08 0.00 0.02 0.00 0.00 55.36 57.65 3m7w s GLN 236 Cb 0.00 -3.15 0.02 0.00 1.00 0.00 0.00 33.01 30.89 3m7w s GLN 236 CO 0.00 -0.33 0.55 0.96 -2.12 0.00 0.00 175.29 174.34 3m7w s ILE 237 N 0.01 2.51 0.67 1.08 -4.36 -1.26 -4.76 121.20 115.08 3m7w s ILE 237 Ca 0.58 -1.16 -0.17 0.00 -0.26 0.00 0.00 60.65 59.64 3m7w s ILE 237 Cb -0.39 -2.67 0.00 0.00 1.25 0.00 0.00 42.46 40.65 3m7w s ILE 237 CO 0.41 0.00 1.23 -0.94 0.24 0.00 0.00 174.94 175.88 3m7w s SER 238 N -4.36 4.60 0.33 4.36 1.04 -1.26 -0.97 113.70 117.44 3m7w s SER 238 Ca 0.52 2.42 0.02 0.00 0.48 0.00 0.00 55.95 59.39 3m7w s SER 238 Cb -0.06 -2.60 0.56 0.00 0.10 0.00 0.00 66.02 64.03 3m7w s SER 238 CO 0.31 -1.99 1.93 1.62 0.98 0.00 0.00 173.24 176.09 3m7w h VAL 239 N 0.26 1.19 -0.44 5.02 3.04 -1.31 -0.30 116.25 123.70 3m7w h VAL 239 Ca -0.49 -0.56 -0.05 0.00 -1.01 0.00 0.00 66.70 64.59 3m7w h VAL 239 Cb 1.31 0.53 -0.02 0.00 -2.01 0.00 0.00 31.29 31.10 3m7w h VAL 239 CO 0.52 0.22 0.08 0.00 -1.01 0.00 0.00 177.57 177.38 3m7w h ALA 240 N 1.51 0.59 -0.49 3.17 0.00 -1.91 -1.00 119.26 121.12 3m7w h ALA 240 Ca 0.18 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 3m7w h ALA 240 Cb 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3m7w h ALA 240 CO -0.02 0.31 -0.15 -0.44 0.00 0.00 0.00 179.25 178.95 3m7w h ASP 241 N 0.60 0.99 -0.43 0.00 3.32 -1.80 -1.79 116.42 117.30 3m7w h ASP 241 Ca 0.14 -0.37 -0.00 0.00 0.02 0.00 0.00 57.03 56.81 3m7w h ASP 241 Cb 0.37 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3m7w h ASP 241 CO 0.01 1.13 0.26 0.25 -1.72 0.00 0.00 179.24 179.17 3m7w h LEU 242 N 0.83 0.52 -0.59 1.55 5.85 -0.95 -1.40 115.31 121.12 3m7w h LEU 242 Ca 0.12 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3m7w h LEU 242 Cb 0.72 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 3m7w h LEU 242 CO 0.05 0.42 0.29 -0.09 -0.34 0.00 0.00 178.44 178.77 3m7w h ARG 243 N 0.58 0.84 -0.24 1.25 9.65 -1.09 -0.87 114.38 124.49 3m7w h ARG 243 Ca 0.16 -0.12 0.04 0.00 -1.10 0.00 0.00 59.98 58.96 3m7w h ARG 243 Cb -0.01 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 28.38 3m7w h ARG 243 CO -0.03 0.67 -0.01 1.15 2.80 0.00 0.00 179.97 184.56 3m7w h THR 244 N 0.80 0.82 -0.26 0.20 2.02 -1.00 -0.36 112.91 115.12 3m7w h THR 244 Ca 0.20 -0.02 -0.06 0.00 0.77 0.00 0.00 66.41 67.30 3m7w h THR 244 Cb 0.11 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3m7w h THR 244 CO -0.03 0.01 -0.05 0.58 0.37 0.00 0.00 175.52 176.40 3m7w h VAL 245 N 0.07 1.28 -0.96 3.16 2.07 -1.06 -1.35 116.25 119.47 3m7w h VAL 245 Ca 0.12 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 3m7w h VAL 245 Cb 0.15 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 3m7w h VAL 245 CO -0.20 0.33 0.58 -0.07 0.02 0.00 0.00 177.57 178.24 3m7w h LEU 246 N 0.25 1.14 -0.29 2.57 3.38 -1.08 -0.86 115.31 120.43 3m7w h LEU 246 Ca 0.07 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3m7w h LEU 246 Cb 0.51 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3m7w h LEU 246 CO 0.02 0.87 0.12 0.74 0.09 0.00 0.00 178.44 180.28 3m7w h THR 247 N 1.31 1.17 -0.17 0.22 2.02 -0.91 0.20 112.91 116.76 3m7w h THR 247 Ca 0.34 -0.53 0.02 0.00 0.77 0.00 0.00 66.41 67.02 3m7w h THR 247 Cb -0.07 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 3m7w h THR 247 CO -0.07 0.18 0.04 0.40 0.37 0.00 0.00 175.52 176.45 3m7w h ILE 248 N 0.33 0.94 -0.27 3.11 2.04 -0.83 -1.42 117.51 121.40 3m7w h ILE 248 Ca 0.10 -0.04 -0.08 0.00 1.00 0.00 0.00 64.86 65.84 3m7w h ILE 248 Cb 0.17 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3m7w h ILE 248 CO -0.01 0.02 -0.17 -0.07 0.00 0.00 0.00 178.15 177.92 3m7w h LEU 249 N 0.12 0.47 -1.04 1.44 3.38 -0.99 0.17 115.31 118.86 3m7w h LEU 249 Ca 0.07 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3m7w h LEU 249 Cb 0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3m7w h LEU 249 CO -0.09 0.66 -0.29 -0.74 0.09 0.00 0.00 178.44 178.08 3m7w h HIS 250 N 0.44 0.00 -0.01 1.13 2.76 -0.17 -3.26 115.15 116.04 3m7w h HIS 250 Ca 0.08 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 3m7w h HIS 250 Cb 0.55 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.51 3m7w h HIS 250 CO 0.02 0.29 -0.22 1.04 -1.30 0.00 0.00 177.93 177.76 3m7w n GLN 251 N -3.46 2.22 0.00 5.26 6.02 -0.57 -5.08 117.38 121.78 3m7w n GLN 251 Ca -0.00 -0.55 0.02 0.00 -0.01 0.00 0.00 57.00 56.45 3m7w n GLN 251 Cb 0.46 -1.06 0.11 0.00 1.02 0.00 0.00 30.24 30.77 3m7w n GLN 251 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05