#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 2.72 -0.08 3.15 -4.23 -1.26 -3.31 115.64 112.62 3m7w s THR 3 Ca 0.00 -0.77 -0.00 0.00 -1.18 0.00 0.00 61.69 59.74 3m7w s THR 3 Cb 0.00 -2.95 0.02 0.00 1.34 0.00 0.00 72.50 70.91 3m7w s THR 3 CO 0.00 0.00 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.34 3m7w s VAL 4 N -2.66 0.78 -0.33 2.29 1.01 -0.43 -4.91 120.40 116.15 3m7w s VAL 4 Ca 0.57 -0.17 -0.13 0.00 0.00 0.00 0.00 61.98 62.26 3m7w s VAL 4 Cb -0.10 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 3m7w s VAL 4 CO 0.37 0.31 0.23 -0.89 0.00 0.00 0.00 175.10 175.13 3m7w s THR 5 N 1.53 5.28 -0.21 3.92 2.01 -1.26 -0.14 115.64 126.78 3m7w s THR 5 Ca 0.00 -0.16 -0.00 0.00 0.31 0.00 0.00 61.69 61.84 3m7w s THR 5 Cb -0.13 -3.68 0.02 0.00 0.01 0.00 0.00 72.50 68.72 3m7w s THR 5 CO -0.05 0.03 -0.14 0.68 -0.69 0.00 0.00 174.62 174.46 3m7w s VAL 6 N 1.73 2.50 0.00 3.82 -7.23 -0.44 -4.93 120.40 115.84 3m7w s VAL 6 Ca 0.06 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 3m7w s VAL 6 Cb -0.17 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.63 3m7w s VAL 6 CO 0.11 0.42 0.00 0.54 -0.31 0.00 0.00 175.10 175.85 3m7w n ARG 7 N 4.66 0.00 -0.52 4.82 1.74 -1.26 -1.33 116.66 124.76 3m7w n ARG 7 Ca -0.19 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 56.98 3m7w n ARG 7 Cb 0.49 0.00 0.32 0.00 -1.02 0.00 0.00 32.46 32.25 3m7w n ARG 7 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3m7w n ASP 8 N 5.02 4.35 -4.68 0.55 8.00 -1.26 -4.94 116.55 123.58 3m7w n ASP 8 Ca 0.00 -2.42 -0.37 0.00 0.71 0.00 0.00 54.79 52.71 3m7w n ASP 8 Cb 0.00 -0.52 -0.08 0.00 -0.02 0.00 0.00 41.12 40.50 3m7w n ASP 8 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3m7w s LEU 9 N -1.78 4.16 -0.50 0.64 2.96 -0.44 -5.05 118.68 118.68 3m7w s LEU 9 Ca 0.46 0.33 -0.19 0.00 -0.22 0.00 0.00 54.13 54.52 3m7w s LEU 9 Cb 0.30 -2.29 0.06 0.00 0.50 0.00 0.00 46.19 44.75 3m7w s LEU 9 CO 0.22 0.03 0.58 -0.69 -1.32 0.00 0.00 176.35 175.18 3m7w s VAL 10 N 0.98 4.94 -0.06 1.68 1.01 -1.26 -1.33 120.40 126.35 3m7w s VAL 10 Ca 0.13 -0.55 -0.23 0.00 0.00 0.00 0.00 61.98 61.33 3m7w s VAL 10 Cb -0.14 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 3m7w s VAL 10 CO 0.05 -0.75 0.68 -0.69 0.00 0.00 0.00 175.10 174.39 3m7w s VAL 11 N 2.47 5.04 0.00 2.92 1.01 0.81 -3.80 120.40 128.84 3m7w s VAL 11 Ca 0.14 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.51 3m7w s VAL 11 Cb -0.20 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.17 3m7w s VAL 11 CO 0.11 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.10 3m7w n GLY 12 N 3.04 0.85 3.21 4.51 0.00 -1.26 -1.32 105.19 114.21 3m7w n GLY 12 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.64 1.67 3.91 1.61 -6.30 -1.25 -4.93 118.70 112.77 3m7w s GLU 13 Ca 0.00 -0.72 0.00 0.00 -2.50 0.00 0.00 54.97 51.75 3m7w s GLU 13 Cb 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 34.13 32.53 3m7w s GLU 13 CO 0.00 0.43 0.00 0.41 0.02 0.00 0.00 175.26 176.12 3m7w n GLY 14 N 2.61 0.67 3.79 -1.50 0.00 -1.26 -4.80 105.19 104.70 3m7w n GLY 14 Ca -0.15 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.63 2.81 0.45 4.61 0.00 -1.26 -4.91 121.76 121.83 3m7w s ALA 15 Ca 0.00 0.69 -0.24 0.00 0.00 0.00 0.00 51.96 52.41 3m7w s ALA 15 Cb 0.00 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.74 3m7w s ALA 15 CO 0.00 -0.48 1.17 -2.30 0.00 0.00 0.00 175.76 174.15 3m7w n PRO 16 N -1.09 1.63 -3.06 0.00 -0.02 -1.26 -4.94 135.00 126.25 3m7w n PRO 16 Ca 0.10 0.58 -0.39 0.00 -2.02 0.00 0.00 63.50 61.77 3m7w n PRO 16 Cb 0.52 -2.27 -0.06 0.00 -0.02 0.00 0.00 33.50 31.67 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 -2.26 4.45 -0.15 -0.52 -0.14 -0.79 -4.84 119.74 115.49 3m7w s LYS 17 Ca 0.64 1.00 -0.24 0.00 -1.36 0.00 0.00 55.97 56.01 3m7w s LYS 17 Cb -0.51 -3.30 -0.02 0.00 -1.68 0.00 0.00 37.83 32.32 3m7w s LYS 17 CO 0.56 0.47 0.75 0.42 -0.76 0.00 0.00 175.35 176.79 3m7w s ILE 18 N -0.68 4.95 -0.03 2.17 1.01 -1.26 -0.79 121.20 126.57 3m7w s ILE 18 Ca 0.35 1.49 0.03 0.00 0.00 0.00 0.00 60.65 62.52 3m7w s ILE 18 Cb -0.21 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.16 3m7w s ILE 18 CO 0.23 0.10 -0.11 -0.63 0.00 0.00 0.00 174.94 174.52 3m7w s ILE 19 N 1.78 3.32 0.04 2.92 1.01 -0.05 -0.48 121.20 129.75 3m7w s ILE 19 Ca 0.36 -0.72 0.05 0.00 0.00 0.00 0.00 60.65 60.34 3m7w s ILE 19 Cb -0.17 -2.36 -0.02 0.00 0.01 0.00 0.00 42.46 39.93 3m7w s ILE 19 CO 0.13 0.53 -0.15 0.68 0.00 0.00 0.00 174.94 176.14 3m7w s VAL 20 N -0.83 1.15 -0.21 2.92 -7.23 -0.95 -1.69 120.40 113.57 3m7w s VAL 20 Ca 0.13 -1.01 -0.10 0.00 -1.81 0.00 0.00 61.98 59.20 3m7w s VAL 20 Cb -0.11 -1.04 -0.05 0.00 0.56 0.00 0.00 36.38 35.75 3m7w s VAL 20 CO 0.03 0.02 0.13 -0.44 -0.31 0.00 0.00 175.10 174.53 3m7w s SER 21 N -1.13 6.11 -0.23 4.85 0.01 -1.26 -0.14 113.70 121.91 3m7w s SER 21 Ca 0.02 0.18 -0.15 0.00 1.31 0.00 0.00 55.95 57.31 3m7w s SER 21 Cb -0.08 -2.08 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 3m7w s SER 21 CO 0.01 0.15 0.37 -0.22 0.41 0.00 0.00 173.24 173.96 3m7w s LEU 22 N 0.55 4.11 -0.26 2.44 0.20 0.89 -4.92 118.68 121.69 3m7w s LEU 22 Ca 0.07 0.41 0.02 0.00 0.69 0.00 0.00 54.13 55.32 3m7w s LEU 22 Cb -0.12 -2.46 0.07 0.00 -0.43 0.00 0.00 46.19 43.25 3m7w s LEU 22 CO -0.00 -0.10 -0.04 -0.04 -0.29 0.00 0.00 176.35 175.88 3m7w s MET 23 N 1.54 1.69 -0.01 1.98 -1.94 -1.26 -1.38 119.30 119.92 3m7w s MET 23 Ca 0.17 -1.23 0.00 0.00 -1.71 0.00 0.00 55.69 52.92 3m7w s MET 23 Cb -0.15 -2.72 0.01 0.00 2.01 0.00 0.00 34.83 33.98 3m7w s MET 23 CO 0.08 -0.68 -0.01 0.20 -0.01 0.00 0.00 175.02 174.61 3m7w s GLY 24 N 1.26 0.10 -0.07 -0.03 0.00 -1.26 -4.91 107.32 102.41 3m7w s GLY 24 Ca -0.03 0.01 -0.19 0.00 0.00 0.00 0.00 44.72 44.51 3m7w s GLY 24 CO -0.08 0.12 0.74 0.50 0.00 0.00 0.00 173.10 174.38 3m7w h LYS 25 N 6.40 0.27 -5.96 2.90 1.57 -1.92 -3.08 116.57 116.76 3m7w h LYS 25 Ca -0.30 -0.47 -0.57 0.00 -1.87 0.00 0.00 60.65 57.44 3m7w h LYS 25 Cb 1.18 0.17 -0.09 0.00 0.08 0.00 0.00 32.23 33.58 3m7w h LYS 25 CO 0.50 1.22 -0.54 0.95 -0.57 0.00 0.00 179.45 181.02 3m7w s THR 26 N -2.45 2.51 0.33 -0.16 -4.23 -1.26 -0.84 115.64 109.54 3m7w s THR 26 Ca -0.17 -1.77 0.01 0.00 -1.18 0.00 0.00 61.69 58.59 3m7w s THR 26 Cb 0.03 -2.95 0.27 0.00 1.34 0.00 0.00 72.50 71.19 3m7w s THR 26 CO 0.80 -0.08 1.99 -0.29 -0.54 0.00 0.00 174.62 176.50 3m7w h ILE 27 N 1.55 1.16 -0.74 2.99 6.09 -1.96 0.08 117.51 126.68 3m7w h ILE 27 Ca -0.43 -0.32 -0.03 0.00 -1.37 0.00 0.00 64.86 62.71 3m7w h ILE 27 Cb 1.25 0.14 -0.03 0.00 0.47 0.00 0.00 36.82 38.65 3m7w h ILE 27 CO 0.68 0.17 0.34 0.74 -3.07 0.00 0.00 178.15 177.02 3m7w h THR 28 N 0.93 1.24 -0.19 2.19 2.02 -1.99 -0.93 112.91 116.19 3m7w h THR 28 Ca 0.27 -0.70 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 3m7w h THR 28 Cb -0.05 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 3m7w h THR 28 CO -0.07 0.29 0.02 0.44 0.37 0.00 0.00 175.52 176.57 3m7w h ASP 29 N 1.05 0.31 -0.88 4.18 3.32 -1.72 -2.31 116.42 120.37 3m7w h ASP 29 Ca 0.25 -0.28 0.08 0.00 0.02 0.00 0.00 57.03 57.10 3m7w h ASP 29 Cb 0.14 -0.08 -0.07 0.00 0.22 0.00 0.00 39.33 39.54 3m7w h ASP 29 CO -0.03 0.51 0.54 0.58 -1.72 0.00 0.00 179.24 179.12 3m7w h VAL 30 N 0.09 1.00 -0.14 -1.35 2.07 -0.79 0.19 116.25 117.32 3m7w h VAL 30 Ca 0.05 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 3m7w h VAL 30 Cb 0.34 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3m7w h VAL 30 CO 0.01 0.17 0.02 0.11 0.02 0.00 0.00 177.57 177.89 3m7w h LYS 31 N 0.94 0.24 -0.59 1.57 1.57 -1.08 -0.97 116.57 118.25 3m7w h LYS 31 Ca 0.40 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 59.04 3m7w h LYS 31 Cb 0.26 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3m7w h LYS 31 CO -0.20 0.43 0.08 0.66 -0.57 0.00 0.00 179.45 179.85 3m7w h SER 32 N 0.00 0.92 -0.30 0.86 4.64 -1.08 -1.83 113.55 116.77 3m7w h SER 32 Ca 0.04 -0.21 -0.06 0.00 -0.47 0.00 0.00 61.79 61.09 3m7w h SER 32 Cb 0.32 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3m7w h SER 32 CO 0.00 0.94 -0.03 -0.33 -0.87 0.00 0.00 176.83 176.53 3m7w h GLU 33 N 0.91 0.56 -0.42 4.77 4.39 -0.92 -1.77 114.58 122.09 3m7w h GLU 33 Ca 0.18 -0.19 0.02 0.00 0.34 0.00 0.00 59.36 59.71 3m7w h GLU 33 Cb 0.42 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 3m7w h GLU 33 CO 0.01 0.72 0.24 0.00 -1.16 0.00 0.00 179.01 178.83 3m7w h ALA 34 N 0.81 0.53 -0.75 3.43 0.00 -1.03 -0.36 119.26 121.89 3m7w h ALA 34 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3m7w h ALA 34 Cb 0.50 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3m7w h ALA 34 CO 0.02 -0.09 0.48 -0.07 0.00 0.00 0.00 179.25 179.59 3m7w h LEU 35 N 0.48 0.88 -0.97 0.00 3.38 -1.24 -2.73 115.31 115.10 3m7w h LEU 35 Ca 0.17 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 3m7w h LEU 35 Cb 0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3m7w h LEU 35 CO -0.09 0.65 -0.43 0.00 0.09 0.00 0.00 178.44 178.66 3m7w h ALA 36 N 1.26 1.05 0.00 1.53 0.00 -0.85 -3.02 119.26 119.24 3m7w h ALA 36 Ca 0.27 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3m7w h ALA 36 Cb -0.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3m7w h ALA 36 CO -0.06 0.54 0.00 1.88 0.00 0.00 0.00 179.25 181.62 3m7w h TYR 37 N 0.00 0.00 0.00 0.00 -1.99 -0.76 -3.20 116.97 111.02 3m7w h TYR 37 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3m7w h TYR 37 Cb 0.90 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.63 3m7w h TYR 37 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16 3m7w h ARG 38 N 0.00 0.00 0.00 4.88 3.08 -1.47 -1.35 114.38 119.52 3m7w h ARG 38 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3m7w h ARG 38 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3m7w h ARG 38 CO 0.00 0.00 -0.06 0.39 -1.07 0.00 0.00 179.97 179.23 3m7w n GLU 39 N -2.89 0.06 -3.38 0.04 1.02 -1.21 -4.88 120.64 109.40 3m7w n GLU 39 Ca 0.00 0.05 -0.32 0.00 -0.02 0.00 0.00 57.16 56.86 3m7w n GLU 39 Cb 0.25 -1.57 -0.06 0.00 -0.02 0.00 0.00 31.44 30.05 3m7w n GLU 39 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3m7w s ALA 40 N -3.02 3.54 -0.62 0.62 0.00 -0.51 -5.04 121.76 116.73 3m7w s ALA 40 Ca 0.13 -0.22 -0.17 0.00 0.00 0.00 0.00 51.96 51.70 3m7w s ALA 40 Cb 0.17 -2.48 0.13 0.00 0.00 0.00 0.00 23.12 20.94 3m7w s ALA 40 CO 0.56 0.48 0.66 0.34 0.00 0.00 0.00 175.76 177.80 3m7w s ASP 41 N -2.26 6.28 0.15 0.00 2.15 -1.26 -5.01 116.67 116.73 3m7w s ASP 41 Ca 0.47 -1.76 -0.00 0.00 0.43 0.00 0.00 52.55 51.69 3m7w s ASP 41 Cb -0.12 -2.26 -0.04 0.00 -0.30 0.00 0.00 42.92 40.20 3m7w s ASP 41 CO 0.20 -0.95 0.05 0.72 -0.17 0.00 0.00 175.17 175.03 3m7w s PHE 42 N 1.96 1.00 -0.15 -5.34 -0.12 -1.26 -4.85 117.98 109.22 3m7w s PHE 42 Ca 0.10 -1.20 0.12 0.00 -0.05 0.00 0.00 56.93 55.90 3m7w s PHE 42 Cb -0.24 -0.56 -0.18 0.00 -0.63 0.00 0.00 43.02 41.42 3m7w s PHE 42 CO 0.02 -0.46 0.03 -0.25 -0.05 0.00 0.00 175.22 174.51 3m7w n ASP 43 N -0.16 1.45 -3.90 1.98 8.00 0.37 -4.97 116.55 119.31 3m7w n ASP 43 Ca -0.05 -0.01 -0.16 0.00 0.71 0.00 0.00 54.79 55.28 3m7w n ASP 43 Cb 0.64 0.73 -0.15 0.00 -0.02 0.00 0.00 41.12 42.32 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 -2.36 0.29 -0.28 0.53 1.01 -0.33 -4.13 121.20 115.92 3m7w s ILE 44 Ca -0.10 -0.09 -0.10 0.00 0.00 0.00 0.00 60.65 60.36 3m7w s ILE 44 Cb 0.05 -0.29 -0.04 0.00 0.01 0.00 0.00 42.46 42.18 3m7w s ILE 44 CO 0.59 0.11 0.17 -0.22 0.00 0.00 0.00 174.94 175.60 3m7w s LEU 45 N 0.30 3.95 -0.20 2.97 2.96 -0.73 -2.24 118.68 125.68 3m7w s LEU 45 Ca -0.03 -0.06 -0.13 0.00 -0.22 0.00 0.00 54.13 53.68 3m7w s LEU 45 Cb -0.06 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 3m7w s LEU 45 CO -0.01 -0.06 0.29 -0.70 -1.32 0.00 0.00 176.35 174.55 3m7w s GLU 46 N 1.73 4.16 -0.37 1.98 2.12 0.80 -0.48 118.70 128.65 3m7w s GLU 46 Ca 0.07 0.01 -0.16 0.00 0.36 0.00 0.00 54.97 55.24 3m7w s GLU 46 Cb -0.16 -3.51 0.00 0.00 0.26 0.00 0.00 34.13 30.72 3m7w s GLU 46 CO 0.10 0.07 0.42 -0.46 -0.54 0.00 0.00 175.26 174.85 3m7w s TRP 47 N 1.00 3.19 -1.05 5.30 -0.00 0.91 -0.08 118.94 128.21 3m7w s TRP 47 Ca 0.14 -0.10 -0.21 0.00 -0.00 0.00 0.00 56.10 55.93 3m7w s TRP 47 Cb -0.14 -2.80 0.07 0.00 -0.00 0.00 0.00 33.47 30.60 3m7w s TRP 47 CO 0.05 -0.55 1.45 1.03 -0.00 0.00 0.00 176.95 178.93 3m7w s ARG 48 N 2.14 3.66 0.50 5.86 1.81 -0.48 -1.49 118.95 130.95 3m7w s ARG 48 Ca 0.13 -1.37 0.15 0.00 -1.72 0.00 0.00 55.73 52.92 3m7w s ARG 48 Cb -0.16 -5.32 1.19 0.00 -0.45 0.00 0.00 34.95 30.21 3m7w s ARG 48 CO 0.13 -2.14 2.11 0.28 -0.68 0.00 0.00 175.30 174.99 3m7w h VAL 49 N 6.43 1.04 0.00 3.52 2.07 -1.18 -2.04 116.25 126.09 3m7w h VAL 49 Ca 0.23 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 3m7w h VAL 49 Cb 0.99 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3m7w h VAL 49 CO 1.38 0.05 -0.08 -2.24 0.02 0.00 0.00 177.57 176.70 3m7w h ASP 50 N 0.01 0.00 1.48 0.57 2.03 -1.85 -0.11 116.42 118.55 3m7w h ASP 50 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3m7w h ASP 50 Cb 0.08 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 3m7w h ASP 50 CO 0.01 0.08 0.00 0.45 -1.03 0.00 0.00 179.24 178.75 3m7w h HIS 51 N 0.00 0.00 -3.01 4.15 3.86 -1.66 -3.38 115.15 115.11 3m7w h HIS 51 Ca -0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.67 3m7w h HIS 51 Cb 0.27 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.75 3m7w h HIS 51 CO 0.00 0.00 0.73 0.12 0.86 0.00 0.00 177.93 179.64 3m7w s PHE 52 N -3.37 3.15 0.34 2.45 5.36 -0.05 -3.91 117.98 121.95 3m7w s PHE 52 Ca 0.05 0.98 0.14 0.00 -0.96 0.00 0.00 56.93 57.14 3m7w s PHE 52 Cb 0.08 -3.62 0.72 0.00 -0.34 0.00 0.00 43.02 39.85 3m7w s PHE 52 CO 0.59 -2.18 1.80 0.00 -1.46 0.00 0.00 175.22 173.97 3m7w h ALA 53 N 7.14 1.27 -2.14 11.12 0.00 -1.21 -3.34 119.26 132.11 3m7w h ALA 53 Ca -0.41 -0.35 -0.61 0.00 0.00 0.00 0.00 54.91 53.54 3m7w h ALA 53 Cb 1.20 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 18.52 3m7w h ALA 53 CO 0.87 0.49 -0.46 0.09 0.00 0.00 0.00 179.25 180.23 3m7w n ASN 54 N -3.95 4.82 0.25 0.00 3.02 -1.26 -4.84 115.26 113.29 3m7w n ASN 54 Ca -0.02 -3.69 0.14 0.00 -0.03 0.00 0.00 54.58 50.98 3m7w n ASN 54 Cb 0.44 -0.62 0.51 0.00 -0.61 0.00 0.00 39.78 39.49 3m7w n ASN 54 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 3m7w h VAL 55 N 2.88 0.20 -0.00 2.41 -1.51 -1.90 -2.99 116.25 115.34 3m7w h VAL 55 Ca 0.18 -0.84 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 3m7w h VAL 55 Cb 0.50 1.70 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 3m7w h VAL 55 CO 0.86 0.09 -0.15 0.35 -1.23 0.00 0.00 177.57 177.49 3m7w n THR 56 N -3.19 0.00 -3.27 7.19 -2.24 -1.26 -4.58 114.28 106.93 3m7w n THR 56 Ca 0.01 -0.06 -0.45 0.00 -2.27 0.00 0.00 64.05 61.29 3m7w n THR 56 Cb 0.40 -0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 68.51 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 -2.56 5.08 0.23 4.28 2.01 -1.13 -4.96 115.64 118.58 3m7w s THR 57 Ca 0.26 -0.99 -0.11 0.00 0.31 0.00 0.00 61.69 61.15 3m7w s THR 57 Cb 0.20 -4.27 0.28 0.00 0.01 0.00 0.00 72.50 68.72 3m7w s THR 57 CO 0.50 -0.77 1.62 0.00 -0.69 0.00 0.00 174.62 175.28 3m7w h ALA 58 N 8.91 0.54 -0.13 7.40 0.00 -1.86 -1.47 119.26 132.64 3m7w h ALA 58 Ca -0.29 0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3m7w h ALA 58 Cb 1.10 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 3m7w h ALA 58 CO 0.96 -0.42 -0.40 0.93 0.00 0.00 0.00 179.25 180.33 3m7w h GLU 59 N 0.02 0.29 -0.19 0.00 4.39 -1.95 -1.88 114.58 115.27 3m7w h GLU 59 Ca 0.36 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.90 3m7w h GLU 59 Cb 0.57 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 3m7w h GLU 59 CO -0.71 0.65 0.05 0.77 -1.16 0.00 0.00 179.01 178.61 3m7w h SER 60 N 0.25 0.28 -0.33 1.42 0.02 -1.60 -0.20 113.55 113.38 3m7w h SER 60 Ca 0.02 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 3m7w h SER 60 Cb 0.81 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 3m7w h SER 60 CO 0.06 0.42 0.17 0.58 -1.14 0.00 0.00 176.83 176.92 3m7w h VAL 61 N 0.12 1.15 -0.66 2.27 2.07 -1.26 -1.24 116.25 118.70 3m7w h VAL 61 Ca 0.06 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 3m7w h VAL 61 Cb 0.24 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3m7w h VAL 61 CO -0.00 0.16 0.30 0.25 0.02 0.00 0.00 177.57 178.30 3m7w h LEU 62 N 0.40 0.88 -0.71 2.57 5.85 -1.28 0.11 115.31 123.14 3m7w h LEU 62 Ca 0.11 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 3m7w h LEU 62 Cb 0.10 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3m7w h LEU 62 CO -0.02 0.79 0.16 -0.33 -0.34 0.00 0.00 178.44 178.70 3m7w h GLU 63 N 0.92 1.14 -0.52 1.25 5.08 -0.78 -0.33 114.58 121.35 3m7w h GLU 63 Ca 0.22 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 3m7w h GLU 63 Cb 0.15 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3m7w h GLU 63 CO -0.02 1.01 0.07 0.00 -1.00 0.00 0.00 179.01 179.06 3m7w h ALA 64 N 1.08 0.69 -0.36 3.43 0.00 -0.92 0.25 119.26 123.43 3m7w h ALA 64 Ca 0.22 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3m7w h ALA 64 Cb 0.39 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3m7w h ALA 64 CO 0.00 0.44 0.20 0.00 0.00 0.00 0.00 179.25 179.89 3m7w h ALA 65 N 0.97 0.45 -0.91 0.00 0.00 -0.70 -1.35 119.26 117.73 3m7w h ALA 65 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3m7w h ALA 65 Cb 0.42 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3m7w h ALA 65 CO 0.01 -0.16 0.52 0.78 0.00 0.00 0.00 179.25 180.40 3m7w h GLY 66 N 0.40 1.34 1.07 0.00 0.00 -0.89 0.13 103.07 105.12 3m7w h GLY 66 Ca 0.15 -0.58 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 3m7w h GLY 66 CO -0.08 0.56 0.17 0.00 0.00 0.00 0.00 176.54 177.19 3m7w h ALA 67 N 1.31 0.94 -0.11 3.60 0.00 -0.48 -1.05 119.26 123.46 3m7w h ALA 67 Ca 0.32 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3m7w h ALA 67 Cb -0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3m7w h ALA 67 CO -0.06 0.66 -0.12 0.82 0.00 0.00 0.00 179.25 180.56 3m7w h ILE 68 N 1.08 1.36 -0.46 0.00 2.04 -0.88 -2.95 117.51 117.70 3m7w h ILE 68 Ca 0.22 -1.30 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 3m7w h ILE 68 Cb 0.38 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 3m7w h ILE 68 CO 0.00 0.37 0.22 -0.09 0.00 0.00 0.00 178.15 178.66 3m7w h ARG 69 N -0.14 0.64 -0.36 2.37 9.65 -0.92 0.19 114.38 125.82 3m7w h ARG 69 Ca 0.02 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.80 3m7w h ARG 69 Cb 0.65 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.09 3m7w h ARG 69 CO 0.03 0.50 0.14 1.49 2.80 0.00 0.00 179.97 184.93 3m7w h GLU 70 N 0.64 0.53 0.05 0.20 4.81 -1.22 -3.32 114.58 116.28 3m7w h GLU 70 Ca 0.16 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.22 3m7w h GLU 70 Cb 0.07 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.37 3m7w h GLU 70 CO -0.02 0.52 -0.35 0.82 -0.73 0.00 0.00 179.01 179.24 3m7w h ILE 71 N 0.43 1.66 -2.09 2.32 2.04 -1.25 -3.39 117.51 117.23 3m7w h ILE 71 Ca 0.12 -2.41 -0.71 0.00 1.00 0.00 0.00 64.86 62.86 3m7w h ILE 71 Cb 0.18 3.28 -0.16 0.00 -0.74 0.00 0.00 36.82 39.38 3m7w h ILE 71 CO -0.01 0.64 1.24 -0.63 0.00 0.00 0.00 178.15 179.39 3m7w s ILE 72 N -2.30 4.78 0.06 -0.67 -1.09 0.62 -4.80 121.20 117.80 3m7w s ILE 72 Ca -0.17 -2.07 -0.07 0.00 -2.23 0.00 0.00 60.65 56.11 3m7w s ILE 72 Cb -0.01 -4.89 -0.30 0.00 -1.58 0.00 0.00 42.46 35.67 3m7w s ILE 72 CO 0.74 -1.63 1.10 0.71 -1.23 0.00 0.00 174.94 174.63 3m7w h THR 73 N 5.31 1.44 -0.62 2.92 1.35 -1.77 -3.38 112.91 118.16 3m7w h THR 73 Ca 0.26 -2.99 -0.24 0.00 -0.55 0.00 0.00 66.41 62.89 3m7w h THR 73 Cb 0.94 2.96 -0.14 0.00 -1.73 0.00 0.00 68.15 70.17 3m7w h THR 73 CO 1.22 0.88 0.22 -0.90 -0.25 0.00 0.00 175.52 176.69 3m7w n ASP 74 N -3.56 3.84 -3.91 5.36 5.75 -1.26 -4.97 116.55 117.80 3m7w n ASP 74 Ca -0.10 -3.42 -0.11 0.00 -0.01 0.00 0.00 54.79 51.15 3m7w n ASP 74 Cb 1.04 -0.71 -0.12 0.00 -1.03 0.00 0.00 41.12 40.31 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 -3.11 0.26 0.62 0.11 -0.14 -1.26 -5.05 119.74 111.17 3m7w s LYS 75 Ca 0.51 -0.32 -0.17 0.00 -1.36 0.00 0.00 55.97 54.63 3m7w s LYS 75 Cb 0.43 0.10 -0.02 0.00 -1.68 0.00 0.00 37.83 36.66 3m7w s LYS 75 CO 0.09 -0.05 1.17 -2.14 -0.76 0.00 0.00 175.35 173.66 3m7w s PRO 76 N -0.90 2.87 -0.17 -1.68 0.02 -1.26 -4.87 135.00 129.00 3m7w s PRO 76 Ca -0.10 1.67 -0.00 0.00 0.02 0.00 0.00 61.00 62.59 3m7w s PRO 76 Cb -0.06 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.53 3m7w s PRO 76 CO -0.00 -1.25 -0.15 -1.17 -0.33 0.00 0.00 177.00 174.10 3m7w s LEU 77 N -4.39 2.42 -0.21 -5.54 2.96 -1.26 -1.78 118.68 110.88 3m7w s LEU 77 Ca 0.73 -0.52 -0.07 0.00 -0.22 0.00 0.00 54.13 54.05 3m7w s LEU 77 Cb -0.26 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 3m7w s LEU 77 CO 0.36 0.04 0.06 -0.22 -1.32 0.00 0.00 176.35 175.27 3m7w s LEU 78 N 1.07 3.62 -0.39 -0.68 2.96 0.37 -1.41 118.68 124.23 3m7w s LEU 78 Ca -0.01 -0.05 -0.15 0.00 -0.22 0.00 0.00 54.13 53.70 3m7w s LEU 78 Cb -0.14 -1.93 0.01 0.00 0.50 0.00 0.00 46.19 44.62 3m7w s LEU 78 CO -0.05 0.09 0.33 0.12 -1.32 0.00 0.00 176.35 175.53 3m7w s PHE 79 N 0.86 3.21 -0.23 5.38 5.36 0.22 -0.06 117.98 132.72 3m7w s PHE 79 Ca 0.03 -0.37 0.01 0.00 -0.96 0.00 0.00 56.93 55.64 3m7w s PHE 79 Cb -0.14 -2.66 0.06 0.00 -0.34 0.00 0.00 43.02 39.94 3m7w s PHE 79 CO 0.02 -0.55 -0.06 0.99 -1.46 0.00 0.00 175.22 174.16 3m7w s THR 80 N 1.86 1.57 -0.49 0.12 2.01 -0.56 -1.10 115.64 119.06 3m7w s THR 80 Ca 0.08 -1.20 -0.17 0.00 0.31 0.00 0.00 61.69 60.71 3m7w s THR 80 Cb -0.18 -1.80 0.06 0.00 0.01 0.00 0.00 72.50 70.60 3m7w s THR 80 CO 0.11 -0.05 0.51 0.12 -0.69 0.00 0.00 174.62 174.62 3m7w s PHE 81 N 1.39 3.15 -0.42 4.92 5.36 -1.26 -0.67 117.98 130.44 3m7w s PHE 81 Ca -0.05 -0.71 -0.23 0.00 -0.96 0.00 0.00 56.93 54.98 3m7w s PHE 81 Cb -0.18 -3.33 0.02 0.00 -0.34 0.00 0.00 43.02 39.19 3m7w s PHE 81 CO -0.06 -0.90 0.79 0.50 -1.46 0.00 0.00 175.22 174.08 3m7w s ARG 82 N 2.14 3.53 0.69 10.12 6.06 -1.26 -4.90 118.95 135.33 3m7w s ARG 82 Ca 0.10 0.05 -0.15 0.00 -2.50 0.00 0.00 55.73 53.22 3m7w s ARG 82 Cb -0.21 -3.89 0.02 0.00 0.06 0.00 0.00 34.95 30.92 3m7w s ARG 82 CO 0.10 -1.03 1.16 -1.12 -2.50 0.00 0.00 175.30 171.91 3m7w s SER 83 N 2.04 4.67 0.23 -2.12 0.01 -1.26 -3.55 113.70 113.72 3m7w s SER 83 Ca 0.31 2.19 -0.07 0.00 1.31 0.00 0.00 55.95 59.69 3m7w s SER 83 Cb -0.12 -2.57 0.32 0.00 0.21 0.00 0.00 66.02 63.85 3m7w s SER 83 CO 0.21 -1.93 1.82 0.00 0.41 0.00 0.00 173.24 173.75 3m7w h ALA 84 N -0.07 1.06 0.00 1.44 0.00 -1.26 0.34 119.26 120.77 3m7w h ALA 84 Ca -0.47 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 3m7w h ALA 84 Cb 1.27 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3m7w h ALA 84 CO 0.52 0.12 -0.00 1.57 0.00 0.00 0.00 179.25 181.46 3m7w h LYS 85 N 0.79 0.00 -0.43 0.00 2.10 -1.89 -0.38 116.57 116.77 3m7w h LYS 85 Ca 0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.00 3m7w h LYS 85 Cb 0.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.57 3m7w h LYS 85 CO -0.20 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.64 3m7w n GLU 86 N -3.11 3.66 -0.35 0.07 -0.58 -0.21 -4.92 120.64 115.20 3m7w n GLU 86 Ca -0.02 -2.87 0.00 0.00 -0.42 0.00 0.00 57.16 53.84 3m7w n GLU 86 Cb 0.11 -1.92 0.00 0.00 -0.57 0.00 0.00 31.44 29.05 3m7w n GLU 86 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3m7w n GLY 87 N 0.23 0.82 1.81 0.62 0.00 -0.15 -4.74 105.19 103.77 3m7w n GLY 87 Ca 0.23 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 3m7w n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m7w n GLY 88 N -2.35 -1.00 0.01 -0.02 0.00 0.10 -4.94 105.19 96.99 3m7w n GLY 88 Ca 0.00 -1.73 0.12 0.00 0.00 0.00 0.00 46.02 44.41 3m7w n GLY 88 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3m7w n GLU 89 N -2.25 0.03 -3.45 1.61 -0.58 -1.23 -4.26 120.64 110.50 3m7w n GLU 89 Ca 0.08 -0.02 -0.11 0.00 -0.42 0.00 0.00 57.16 56.69 3m7w n GLU 89 Cb 0.27 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.62 3m7w n GLU 89 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 3m7w s GLN 90 N -2.98 1.21 -0.09 3.49 -2.07 -1.26 -4.94 119.66 113.02 3m7w s GLN 90 Ca 0.12 -0.46 -0.04 0.00 -1.82 0.00 0.00 55.36 53.16 3m7w s GLN 90 Cb 0.18 0.55 -0.04 0.00 -1.09 0.00 0.00 33.01 32.61 3m7w s GLN 90 CO 0.69 -0.53 0.09 0.00 -1.32 0.00 0.00 175.29 174.22 3m7w s ALA 91 N -3.63 3.65 0.13 2.60 0.00 -1.26 -1.03 121.76 122.22 3m7w s ALA 91 Ca 0.02 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 51.29 3m7w s ALA 91 Cb -0.01 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 3m7w s ALA 91 CO -0.11 0.63 -0.10 -0.51 0.00 0.00 0.00 175.76 175.66 3m7w s LEU 92 N -1.14 2.49 0.79 0.00 1.43 -1.26 -5.00 118.68 115.99 3m7w s LEU 92 Ca 0.16 -0.96 -0.11 0.00 -1.03 0.00 0.00 54.13 52.20 3m7w s LEU 92 Cb -0.12 -0.33 0.06 0.00 0.03 0.00 0.00 46.19 45.84 3m7w s LEU 92 CO 0.06 -0.32 1.09 0.42 0.23 0.00 0.00 176.35 177.83 3m7w s THR 93 N -3.08 3.24 0.22 5.49 -4.23 -1.26 -4.84 115.64 111.17 3m7w s THR 93 Ca 0.13 0.40 -0.07 0.00 -1.18 0.00 0.00 61.69 60.97 3m7w s THR 93 Cb 0.01 -3.09 0.17 0.00 1.34 0.00 0.00 72.50 70.93 3m7w s THR 93 CO 0.00 -0.52 1.77 0.74 -0.54 0.00 0.00 174.62 176.07 3m7w h THR 94 N -1.07 0.84 -0.41 3.99 2.02 -1.99 -1.21 112.91 115.08 3m7w h THR 94 Ca -0.46 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.51 3m7w h THR 94 Cb 1.26 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 3m7w h THR 94 CO 0.58 0.11 0.24 1.23 0.37 0.00 0.00 175.52 178.04 3m7w h GLY 95 N 0.58 0.60 1.00 2.16 0.00 -1.99 -0.07 103.07 105.35 3m7w h GLY 95 Ca 0.34 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3m7w h GLY 95 CO -0.27 0.25 0.29 1.46 0.00 0.00 0.00 176.54 178.27 3m7w h GLN 96 N 0.54 0.58 -0.16 4.80 4.20 -1.83 -0.74 115.11 122.51 3m7w h GLN 96 Ca 0.15 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3m7w h GLN 96 Cb 0.02 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 3m7w h GLN 96 CO -0.03 0.39 0.10 -0.92 -0.67 0.00 0.00 178.83 177.70 3m7w h TYR 97 N 0.60 0.20 -0.42 2.96 3.20 -0.95 0.54 116.97 123.09 3m7w h TYR 97 Ca 0.16 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 3m7w h TYR 97 Cb -0.07 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 3m7w h TYR 97 CO -0.05 0.12 0.16 0.82 -1.64 0.00 0.00 178.16 177.58 3m7w h ILE 98 N 0.21 1.21 -0.75 1.81 1.08 -0.88 -2.32 117.51 117.86 3m7w h ILE 98 Ca 0.06 -0.65 -0.01 0.00 -0.39 0.00 0.00 64.86 63.87 3m7w h ILE 98 Cb -0.02 0.84 -0.04 0.00 -3.07 0.00 0.00 36.82 34.53 3m7w h ILE 98 CO -0.01 0.24 0.43 0.44 -0.69 0.00 0.00 178.15 178.55 3m7w h ASP 99 N 0.54 0.92 -0.07 1.72 3.32 -0.88 -0.37 116.42 121.59 3m7w h ASP 99 Ca 0.14 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3m7w h ASP 99 Cb 0.21 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 3m7w h ASP 99 CO -0.01 0.73 0.04 0.25 -1.72 0.00 0.00 179.24 178.53 3m7w h LEU 100 N 1.04 0.09 -0.74 1.55 5.85 -0.70 -0.87 115.31 121.53 3m7w h LEU 100 Ca 0.27 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 3m7w h LEU 100 Cb -0.00 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3m7w h LEU 100 CO -0.05 0.13 0.04 0.78 -0.34 0.00 0.00 178.44 179.01 3m7w h ASN 101 N 0.04 0.97 -0.71 1.25 2.35 -1.08 -1.59 115.58 116.81 3m7w h ASN 101 Ca 0.03 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.51 3m7w h ASN 101 Cb 0.06 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.14 3m7w h ASN 101 CO -0.00 1.00 0.39 0.03 -1.65 0.00 0.00 177.43 177.19 3m7w h ARG 102 N 0.93 0.99 -1.01 0.81 3.08 -0.93 -1.13 114.38 117.12 3m7w h ARG 102 Ca 0.18 -0.12 0.02 0.00 0.07 0.00 0.00 59.98 60.13 3m7w h ARG 102 Cb 0.48 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.29 3m7w h ARG 102 CO 0.02 0.74 0.67 0.00 -1.07 0.00 0.00 179.97 180.33 3m7w h ALA 103 N 1.19 1.30 -0.07 0.04 0.00 -0.77 0.17 119.26 121.12 3m7w h ALA 103 Ca 0.25 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3m7w h ALA 103 Cb 0.04 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 3m7w h ALA 103 CO -0.04 0.63 0.03 0.00 0.00 0.00 0.00 179.25 179.88 3m7w h ALA 104 N 1.39 0.10 -0.14 0.00 0.00 -0.91 -0.13 119.26 119.55 3m7w h ALA 104 Ca 0.38 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.24 3m7w h ALA 104 Cb -0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3m7w h ALA 104 CO -0.10 -0.34 0.00 0.28 0.00 0.00 0.00 179.25 179.10 3m7w h VAL 105 N -0.01 0.90 0.00 0.00 2.07 -0.76 -2.71 116.25 115.74 3m7w h VAL 105 Ca 0.03 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3m7w h VAL 105 Cb 0.13 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3m7w h VAL 105 CO -0.00 0.01 -0.02 0.44 0.02 0.00 0.00 177.57 178.02 3m7w h ASP 106 N 0.05 0.00 0.29 0.57 3.32 -0.46 -3.01 116.42 117.19 3m7w h ASP 106 Ca 0.07 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 3m7w h ASP 106 Cb 0.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3m7w h ASP 106 CO -0.11 0.02 -0.21 0.77 -1.72 0.00 0.00 179.24 177.99 3m7w h SER 107 N 0.00 0.00 -0.11 6.45 4.64 -0.68 -3.46 113.55 120.39 3m7w h SER 107 Ca -0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3m7w h SER 107 Cb 0.27 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 3m7w h SER 107 CO 0.00 0.21 -0.04 0.61 -0.87 0.00 0.00 176.83 176.74 3m7w n GLY 108 N -0.77 0.53 0.00 -0.77 0.00 -1.14 -4.87 105.19 98.17 3m7w n GLY 108 Ca -0.02 -0.23 0.06 0.00 0.00 0.00 0.00 46.02 45.83 3m7w n GLY 108 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3m7w n LEU 109 N -0.27 0.43 -4.50 0.99 4.77 -1.26 -4.98 117.00 112.18 3m7w n LEU 109 Ca -0.02 -0.34 -0.32 0.00 -0.03 0.00 0.00 56.01 55.30 3m7w n LEU 109 Cb 0.20 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.17 3m7w n LEU 109 CO 0.04 0.11 -0.45 0.68 -1.33 0.00 0.00 177.39 176.43 3m7w s VAL 110 N -2.48 3.08 -0.16 4.08 -7.23 -1.26 -4.85 120.40 111.58 3m7w s VAL 110 Ca 0.02 -0.94 0.20 0.00 -1.81 0.00 0.00 61.98 59.45 3m7w s VAL 110 Cb 0.10 -2.28 -0.12 0.00 0.56 0.00 0.00 36.38 34.64 3m7w s VAL 110 CO 0.55 0.43 0.82 0.47 -0.31 0.00 0.00 175.10 177.07 3m7w n ASP 111 N 1.80 0.68 -3.72 4.85 8.00 -0.50 -4.89 116.55 122.77 3m7w n ASP 111 Ca -0.16 0.28 -0.14 0.00 0.71 0.00 0.00 54.79 55.48 3m7w n ASP 111 Cb 0.52 0.62 -0.08 0.00 -0.02 0.00 0.00 41.12 42.16 3m7w n ASP 111 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3m7w s MET 112 N -3.19 0.77 0.20 -1.24 -1.94 -1.01 -1.76 119.30 111.13 3m7w s MET 112 Ca -0.03 -0.21 0.10 0.00 -1.71 0.00 0.00 55.69 53.85 3m7w s MET 112 Cb 0.10 0.34 -0.04 0.00 2.01 0.00 0.00 34.83 37.24 3m7w s MET 112 CO 0.82 -0.23 -0.21 0.96 -0.01 0.00 0.00 175.02 176.35 3m7w s ILE 113 N -1.63 2.17 -0.21 2.53 -4.36 -0.62 -0.61 121.20 118.46 3m7w s ILE 113 Ca -0.11 -2.07 -0.07 0.00 -0.26 0.00 0.00 60.65 58.14 3m7w s ILE 113 Cb -0.03 -2.06 -0.03 0.00 1.25 0.00 0.00 42.46 41.58 3m7w s ILE 113 CO 0.03 -0.26 0.05 -0.62 0.24 0.00 0.00 174.94 174.39 3m7w s ASP 114 N -2.85 5.32 -0.06 4.36 -1.08 -0.26 -1.21 116.67 120.89 3m7w s ASP 114 Ca 0.21 -0.06 0.05 0.00 -0.52 0.00 0.00 52.55 52.23 3m7w s ASP 114 Cb -0.06 -1.92 -0.01 0.00 -1.46 0.00 0.00 42.92 39.46 3m7w s ASP 114 CO 0.10 0.09 -0.22 -0.76 0.52 0.00 0.00 175.17 174.89 3m7w s LEU 115 N 0.87 2.23 -0.10 -1.34 1.43 -0.01 -4.61 118.68 117.14 3m7w s LEU 115 Ca 0.03 -0.45 -0.26 0.00 -1.03 0.00 0.00 54.13 52.42 3m7w s LEU 115 Cb -0.14 -1.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 3m7w s LEU 115 CO 0.02 0.25 0.85 -1.61 0.23 0.00 0.00 176.35 176.10 3m7w s GLU 116 N -0.19 4.40 0.26 1.70 2.02 -1.26 -0.82 118.70 124.81 3m7w s GLU 116 Ca -0.02 1.11 -0.02 0.00 0.02 0.00 0.00 54.97 56.06 3m7w s GLU 116 Cb -0.14 -3.52 0.56 0.00 0.10 0.00 0.00 34.13 31.14 3m7w s GLU 116 CO 0.03 -0.18 1.66 1.25 0.02 0.00 0.00 175.26 178.04 3m7w h LEU 117 N 7.62 -0.07 -2.51 1.80 5.85 -1.14 -2.14 115.31 124.72 3m7w h LEU 117 Ca -0.34 0.18 -0.12 0.00 0.84 0.00 0.00 57.88 58.43 3m7w h LEU 117 Cb 1.17 0.26 -0.07 0.00 0.37 0.00 0.00 40.66 42.38 3m7w h LEU 117 CO 0.80 -0.12 0.15 0.49 -0.34 0.00 0.00 178.44 179.43 3m7w n PHE 118 N -5.23 1.12 -0.02 1.25 3.72 -1.26 -4.15 117.46 112.90 3m7w n PHE 118 Ca 0.17 -0.73 -0.11 0.00 -0.05 0.00 0.00 57.45 56.74 3m7w n PHE 118 Cb 0.56 -0.43 0.03 0.00 -0.94 0.00 0.00 39.48 38.70 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 1.01 1.31 0.00 4.37 2.02 -1.78 -3.48 112.91 116.35 3m7w h THR 119 Ca 0.15 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.56 3m7w h THR 119 Cb 1.50 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.63 3m7w h THR 119 CO 0.35 0.56 0.00 0.61 0.37 0.00 0.00 175.52 177.41 3m7w n GLY 120 N 0.27 3.85 0.22 2.16 0.00 -1.26 -4.96 105.19 105.47 3m7w n GLY 120 Ca -0.03 -0.52 -0.07 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.58 -0.35 1.61 5.19 -1.94 -0.66 116.42 119.69 3m7w h ASP 121 Ca 0.00 0.12 0.04 0.00 -0.62 0.00 0.00 57.03 56.57 3m7w h ASP 121 Cb 0.00 0.30 -0.04 0.00 0.18 0.00 0.00 39.33 39.77 3m7w h ASP 121 CO 0.00 -0.22 0.12 0.44 -3.12 0.00 0.00 179.24 176.47 3m7w h ASP 122 N -0.16 0.13 -0.50 6.45 3.32 -1.99 0.04 116.42 123.71 3m7w h ASP 122 Ca 0.14 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 3m7w h ASP 122 Cb 0.38 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 3m7w h ASP 122 CO -0.36 0.11 0.17 -0.33 -1.72 0.00 0.00 179.24 177.11 3m7w h GLU 123 N 0.27 0.77 -0.05 3.56 3.07 -1.88 -2.20 114.58 118.13 3m7w h GLU 123 Ca 0.16 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 3m7w h GLU 123 Cb 0.13 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 27.93 3m7w h GLU 123 CO -0.16 0.71 0.00 0.28 -1.40 0.00 0.00 179.01 178.44 3m7w h VAL 124 N 0.68 1.25 -0.49 3.13 2.07 -0.89 -1.27 116.25 120.72 3m7w h VAL 124 Ca 0.16 -0.75 0.07 0.00 0.82 0.00 0.00 66.70 67.00 3m7w h VAL 124 Cb 0.25 1.66 -0.06 0.00 -1.52 0.00 0.00 31.29 31.63 3m7w h VAL 124 CO -0.01 0.20 0.17 0.11 0.02 0.00 0.00 177.57 178.07 3m7w h LYS 125 N -0.21 0.33 -0.59 1.57 1.57 -0.96 0.17 116.57 118.46 3m7w h LYS 125 Ca 0.01 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 3m7w h LYS 125 Cb 0.32 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 3m7w h LYS 125 CO 0.00 0.22 0.08 0.00 -0.57 0.00 0.00 179.45 179.19 3m7w h ALA 126 N 1.33 1.04 0.02 3.86 0.00 -1.33 -2.00 119.26 122.17 3m7w h ALA 126 Ca 0.23 -0.25 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 3m7w h ALA 126 Cb 0.25 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3m7w h ALA 126 CO -0.24 0.61 -0.99 1.15 0.00 0.00 0.00 179.25 179.78 3m7w h THR 127 N 0.90 1.63 -0.20 0.00 2.02 -0.44 -1.42 112.91 115.39 3m7w h THR 127 Ca 0.18 -3.14 -0.01 0.00 0.77 0.00 0.00 66.41 64.21 3m7w h THR 127 Cb 0.41 2.75 -0.01 0.00 -1.74 0.00 0.00 68.15 69.56 3m7w h THR 127 CO 0.01 0.90 0.08 0.58 0.37 0.00 0.00 175.52 177.47 3m7w h VAL 128 N 0.03 1.16 -0.78 3.16 2.07 -0.61 -1.06 116.25 120.21 3m7w h VAL 128 Ca -0.04 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3m7w h VAL 128 Cb 1.71 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 32.54 3m7w h VAL 128 CO 0.14 0.15 0.49 1.23 0.02 0.00 0.00 177.57 179.60 3m7w h GLY 129 N 0.18 1.11 0.99 2.17 0.00 -1.30 -1.42 103.07 104.80 3m7w h GLY 129 Ca 0.07 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 3m7w h GLY 129 CO -0.01 0.43 0.03 -1.82 0.00 0.00 0.00 176.54 175.17 3m7w h TYR 130 N 1.06 0.90 -0.32 5.60 3.20 -1.02 -1.19 116.97 125.20 3m7w h TYR 130 Ca 0.28 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 3m7w h TYR 130 Cb -0.08 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 37.94 3m7w h TYR 130 CO 0.00 0.84 0.14 0.00 -1.64 0.00 0.00 178.16 177.50 3m7w h ALA 131 N 0.94 0.42 -0.64 1.82 0.00 -0.75 -2.90 119.26 118.14 3m7w h ALA 131 Ca 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3m7w h ALA 131 Cb 0.47 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3m7w h ALA 131 CO 0.02 0.00 0.29 0.45 0.00 0.00 0.00 179.25 180.01 3m7w h HIS 132 N 0.37 0.92 0.00 0.00 3.86 -1.09 0.10 115.15 119.31 3m7w h HIS 132 Ca 0.11 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3m7w h HIS 132 Cb 0.16 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 28.35 3m7w h HIS 132 CO -0.01 0.69 -0.01 1.96 0.86 0.00 0.00 177.93 181.42 3m7w h GLN 133 N 0.91 0.00 -0.35 2.45 4.20 -1.03 -1.66 115.11 119.64 3m7w h GLN 133 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3m7w h GLN 133 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3m7w h GLN 133 CO -0.03 0.01 0.00 0.72 -0.67 0.00 0.00 178.83 178.86 3m7w n HIS 134 N -3.12 0.82 -3.25 2.96 8.25 -0.31 -4.98 115.22 115.59 3m7w n HIS 134 Ca -0.01 -0.68 -0.22 0.00 -0.26 0.00 0.00 57.72 56.55 3m7w n HIS 134 Cb 0.19 -0.19 0.05 0.00 1.12 0.00 0.00 29.99 31.17 3m7w n HIS 134 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3m7w n ASN 135 N 0.14 -6.02 -4.32 0.41 3.02 -0.62 -5.01 115.26 102.86 3m7w n ASN 135 Ca 0.18 -0.39 -0.33 0.00 -0.03 0.00 0.00 54.58 54.01 3m7w n ASN 135 Cb 0.70 -4.74 -0.15 0.00 -0.61 0.00 0.00 39.78 34.98 3m7w n ASN 135 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3m7w s VAL 136 N -3.22 2.99 0.66 2.41 1.01 -0.13 -4.98 120.40 119.13 3m7w s VAL 136 Ca 0.42 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.62 3m7w s VAL 136 Cb -0.18 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 3m7w s VAL 136 CO 0.52 0.50 1.05 0.00 0.00 0.00 0.00 175.10 177.17 3m7w s ALA 137 N 0.73 2.79 -0.11 5.51 0.00 -0.72 -3.47 121.76 126.50 3m7w s ALA 137 Ca -0.05 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.02 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 -1.00 -0.10 0.08 0.00 0.00 0.00 175.76 174.75 3m7w s VAL 138 N -2.96 1.17 -0.20 0.00 1.01 -1.26 -1.60 120.40 116.56 3m7w s VAL 138 Ca 0.58 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 62.03 3m7w s VAL 138 Cb -0.14 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 3m7w s VAL 138 CO 0.51 0.38 0.22 -0.63 0.00 0.00 0.00 175.10 175.58 3m7w s ILE 139 N 1.36 5.34 -0.12 2.22 1.01 -0.35 -0.60 121.20 130.07 3m7w s ILE 139 Ca -0.01 0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.99 3m7w s ILE 139 Cb -0.14 -3.56 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 3m7w s ILE 139 CO -0.05 0.38 -0.05 -0.32 0.00 0.00 0.00 174.94 174.89 3m7w s MET 140 N 0.69 3.28 0.21 2.79 1.75 -0.85 -0.83 119.30 126.35 3m7w s MET 140 Ca 0.12 -0.53 0.04 0.00 -1.25 0.00 0.00 55.69 54.07 3m7w s MET 140 Cb -0.13 -2.77 -0.05 0.00 2.84 0.00 0.00 34.83 34.72 3m7w s MET 140 CO 0.03 0.42 -0.04 -1.54 -0.65 0.00 0.00 175.02 173.24 3m7w s SER 141 N -0.14 1.90 -0.19 1.11 1.04 0.00 -0.10 113.70 117.32 3m7w s SER 141 Ca 0.02 -1.16 -0.16 0.00 0.48 0.00 0.00 55.95 55.13 3m7w s SER 141 Cb -0.13 -0.01 0.05 0.00 0.10 0.00 0.00 66.02 66.03 3m7w s SER 141 CO 0.03 -0.45 0.50 0.21 0.98 0.00 0.00 173.24 174.51 3m7w s ASN 142 N -3.28 -0.55 0.01 7.02 3.04 -0.99 -0.51 114.94 119.69 3m7w s ASN 142 Ca 0.25 1.03 0.04 0.00 0.04 0.00 0.00 52.86 54.22 3m7w s ASN 142 Cb 0.05 1.02 -0.01 0.00 -1.54 0.00 0.00 41.25 40.76 3m7w s ASN 142 CO 0.07 -0.18 -0.12 -1.00 -3.04 0.00 0.00 177.10 172.83 3m7w s HIS 143 N 0.46 1.04 -0.20 0.43 3.76 -1.26 -1.61 115.29 117.93 3m7w s HIS 143 Ca -0.02 -0.26 -0.04 0.00 -0.15 0.00 0.00 55.06 54.59 3m7w s HIS 143 Cb -0.04 -0.65 0.07 0.00 1.11 0.00 0.00 32.58 33.07 3m7w s HIS 143 CO -0.02 -0.00 0.08 0.34 -0.85 0.00 0.00 174.74 174.29 3m7w s ASP 144 N -0.63 2.71 0.00 1.40 -1.08 -0.25 -4.93 116.67 113.90 3m7w s ASP 144 Ca 0.03 -0.79 0.21 0.00 -0.52 0.00 0.00 52.55 51.48 3m7w s ASP 144 Cb -0.06 -0.38 0.86 0.00 -1.46 0.00 0.00 42.92 41.88 3m7w s ASP 144 CO 0.00 -0.35 1.61 0.49 0.52 0.00 0.00 175.17 177.44 3m7w n PHE 145 N 5.19 0.15 0.00 -5.34 3.72 -1.26 -1.08 117.46 118.84 3m7w n PHE 145 Ca -0.07 -0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 3m7w n PHE 145 Cb 0.47 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 3m7w n PHE 145 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3m7w n HIS 146 N 0.09 0.00 -3.93 1.38 8.25 -1.26 -4.80 115.22 114.94 3m7w n HIS 146 Ca 0.16 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.52 3m7w n HIS 146 Cb 0.28 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.37 3m7w n HIS 146 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 3m7w s LYS 147 N -1.90 1.92 -0.27 -0.41 -2.85 -1.23 -4.61 119.74 110.39 3m7w s LYS 147 Ca 0.00 -1.40 0.03 0.00 -1.00 0.00 0.00 55.97 53.59 3m7w s LYS 147 Cb 0.00 0.54 0.06 0.00 -2.06 0.00 0.00 37.83 36.37 3m7w s LYS 147 CO 0.00 -0.85 -0.09 0.99 0.10 0.00 0.00 175.35 175.50 3m7w s THR 148 N -3.17 2.25 1.03 3.79 2.01 -0.98 -2.56 115.64 118.01 3m7w s THR 148 Ca 0.20 -1.65 -0.11 0.00 0.31 0.00 0.00 61.69 60.44 3m7w s THR 148 Cb -0.03 -2.34 0.21 0.00 0.01 0.00 0.00 72.50 70.35 3m7w s THR 148 CO 0.12 -0.06 1.07 -2.65 -0.69 0.00 0.00 174.62 172.42 3m7w n PRO 149 N 4.44 -1.34 -1.62 4.92 -0.02 -1.26 -4.92 135.00 135.21 3m7w n PRO 149 Ca -0.13 -0.34 -0.39 0.00 -2.02 0.00 0.00 63.50 60.62 3m7w n PRO 149 Cb 0.42 -2.28 0.04 0.00 -0.02 0.00 0.00 33.50 31.66 3m7w n PRO 149 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3m7w n ALA 150 N -4.57 0.23 -0.34 3.55 0.00 -1.26 -4.69 120.51 113.43 3m7w n ALA 150 Ca 0.08 0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.73 3m7w n ALA 150 Cb 0.53 -2.10 0.30 0.00 0.00 0.00 0.00 19.45 18.18 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 0.92 1.58 -0.64 0.00 0.00 -1.91 0.08 119.26 119.28 3m7w h ALA 151 Ca -0.47 0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.57 3m7w h ALA 151 Cb 1.35 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 3m7w h ALA 151 CO 0.53 -0.08 0.37 0.93 0.00 0.00 0.00 179.25 181.01 3m7w h GLU 152 N 0.71 0.69 -0.33 0.00 3.07 -1.94 0.71 114.58 117.50 3m7w h GLU 152 Ca 0.56 -0.04 -0.13 0.00 -0.50 0.00 0.00 59.36 59.25 3m7w h GLU 152 Cb 0.87 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.61 3m7w h GLU 152 CO -0.39 0.46 -0.31 1.49 -1.40 0.00 0.00 179.01 178.86 3m7w h GLU 153 N 0.71 0.70 -0.47 2.33 4.57 -1.37 -0.99 114.58 120.07 3m7w h GLU 153 Ca 0.27 -0.32 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 3m7w h GLU 153 Cb 0.11 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 3m7w h GLU 153 CO -0.14 0.92 0.22 0.82 -1.18 0.00 0.00 179.01 179.64 3m7w h ILE 154 N 0.60 1.19 -0.54 2.32 2.04 -0.42 -1.82 117.51 120.88 3m7w h ILE 154 Ca 0.07 -0.56 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 3m7w h ILE 154 Cb 0.82 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 3m7w h ILE 154 CO 0.07 0.21 0.13 0.58 0.00 0.00 0.00 178.15 179.15 3m7w h VAL 155 N 0.62 1.24 -0.81 1.67 2.07 -0.70 -2.07 116.25 118.27 3m7w h VAL 155 Ca 0.16 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 3m7w h VAL 155 Cb 0.14 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 3m7w h VAL 155 CO -0.02 0.32 0.46 -0.61 0.02 0.00 0.00 177.57 177.74 3m7w h GLN 156 N 0.76 1.11 -0.23 1.57 5.75 -0.93 -0.21 115.11 122.93 3m7w h GLN 156 Ca 0.17 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.54 3m7w h GLN 156 Cb 0.34 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 3m7w h GLN 156 CO 0.00 0.80 0.06 0.00 -2.65 0.00 0.00 178.83 177.04 3m7w h ARG 157 N 1.12 0.36 -0.78 1.69 3.08 -1.05 0.37 114.38 119.17 3m7w h ARG 157 Ca 0.29 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.27 3m7w h ARG 157 Cb -0.01 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 3m7w h ARG 157 CO -0.05 0.45 0.51 -0.07 -1.07 0.00 0.00 179.97 179.75 3m7w h LEU 158 N 0.19 0.89 -0.45 3.04 3.38 -1.09 -0.96 115.31 120.30 3m7w h LEU 158 Ca 0.07 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3m7w h LEU 158 Cb 0.25 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3m7w h LEU 158 CO -0.00 0.64 0.13 0.03 0.09 0.00 0.00 178.44 179.33 3m7w h ARG 159 N 1.05 0.70 -0.89 1.13 3.08 -0.83 -2.40 114.38 116.22 3m7w h ARG 159 Ca 0.29 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 60.19 3m7w h ARG 159 Cb -0.11 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 29.80 3m7w h ARG 159 CO -0.07 0.69 0.59 -0.22 -1.07 0.00 0.00 179.97 179.89 3m7w h LYS 160 N 0.59 1.17 -0.27 0.04 1.63 -0.51 0.10 116.57 119.33 3m7w h LYS 160 Ca 0.14 -0.07 0.02 0.00 -0.85 0.00 0.00 60.65 59.89 3m7w h LYS 160 Cb 0.28 -0.26 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 3m7w h LYS 160 CO -0.00 0.77 0.13 0.52 -3.45 0.00 0.00 179.45 177.42 3m7w h MET 161 N 1.20 0.26 -0.70 1.90 2.86 -0.83 -0.45 114.93 119.18 3m7w h MET 161 Ca 0.33 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.94 3m7w h MET 161 Cb -0.13 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.44 3m7w h MET 161 CO -0.07 0.18 0.37 0.37 1.06 0.00 0.00 176.91 178.81 3m7w h GLN 162 N 0.27 0.99 -0.47 1.72 4.15 -1.06 -1.65 115.11 119.07 3m7w h GLN 162 Ca 0.11 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 3m7w h GLN 162 Cb 0.04 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 3m7w h GLN 162 CO -0.08 0.75 0.23 1.49 -1.93 0.00 0.00 178.83 179.29 3m7w h GLU 163 N 0.97 0.65 -0.03 1.69 4.81 -0.16 -2.08 114.58 120.42 3m7w h GLU 163 Ca 0.24 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3m7w h GLU 163 Cb 0.07 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.32 3m7w h GLU 163 CO -0.04 0.50 0.00 1.28 -0.73 0.00 0.00 179.01 180.02 3m7w n LEU 164 N -4.39 0.36 0.00 1.64 4.77 -0.24 -4.89 117.00 114.25 3m7w n LEU 164 Ca 0.04 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 3m7w n LEU 164 Cb 0.12 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3m7w n LEU 164 CO 0.37 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3m7w n GLY 165 N 0.90 0.79 3.67 -0.72 0.00 -0.78 -4.69 105.19 104.36 3m7w n GLY 165 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.68 1.23 0.04 4.61 0.00 -0.68 -4.88 120.51 119.15 3m7w n ALA 166 Ca 0.00 0.43 -0.13 0.00 0.00 0.00 0.00 53.44 53.73 3m7w n ALA 166 Cb 0.00 -2.31 -0.02 0.00 0.00 0.00 0.00 19.45 17.12 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 4.90 0.63 -2.85 0.00 3.32 -1.19 -3.42 116.42 117.80 3m7w h ASP 167 Ca -0.45 -0.45 -0.53 0.00 0.02 0.00 0.00 57.03 55.62 3m7w h ASP 167 Cb 1.27 -0.19 -0.40 0.00 0.22 0.00 0.00 39.33 40.23 3m7w h ASP 167 CO 0.81 1.22 -0.78 -0.63 -1.72 0.00 0.00 179.24 178.14 3m7w s ILE 168 N -3.52 0.04 0.45 0.35 1.01 -0.69 -4.28 121.20 114.57 3m7w s ILE 168 Ca -0.07 -0.78 -0.24 0.00 0.00 0.00 0.00 60.65 59.55 3m7w s ILE 168 Cb 0.09 -1.03 -0.08 0.00 0.01 0.00 0.00 42.46 41.46 3m7w s ILE 168 CO 0.87 -0.69 1.29 -2.84 0.00 0.00 0.00 174.94 173.57 3m7w s PRO 169 N 2.05 3.73 -0.04 2.79 0.02 -1.25 -2.02 135.00 140.29 3m7w s PRO 169 Ca 0.08 2.11 -0.02 0.00 0.02 0.00 0.00 61.00 63.19 3m7w s PRO 169 Cb -0.16 -2.57 0.02 0.00 0.02 0.00 0.00 34.50 31.81 3m7w s PRO 169 CO -0.33 -0.67 0.08 0.21 -0.33 0.00 0.00 177.00 175.96 3m7w s LYS 170 N -2.49 0.06 -0.05 5.54 2.20 0.86 -0.93 119.74 124.93 3m7w s LYS 170 Ca 0.62 0.19 -0.04 0.00 -0.36 0.00 0.00 55.97 56.37 3m7w s LYS 170 Cb -0.37 -0.07 0.02 0.00 -1.51 0.00 0.00 37.83 35.90 3m7w s LYS 170 CO 0.46 -0.08 0.13 -1.50 -0.36 0.00 0.00 175.35 174.00 3m7w s ILE 171 N 0.52 -0.02 -0.09 5.43 2.07 -0.77 -2.34 121.20 126.00 3m7w s ILE 171 Ca -0.04 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.26 3m7w s ILE 171 Cb -0.06 -0.19 0.02 0.00 0.13 0.00 0.00 42.46 42.36 3m7w s ILE 171 CO -0.02 0.02 -0.08 0.00 -1.91 0.00 0.00 174.94 172.95 3m7w s ALA 172 N 0.42 1.20 0.17 1.50 0.00 -0.63 -1.89 121.76 122.53 3m7w s ALA 172 Ca -0.03 -0.43 0.06 0.00 0.00 0.00 0.00 51.96 51.56 3m7w s ALA 172 Cb -0.04 -0.75 -0.05 0.00 0.00 0.00 0.00 23.12 22.28 3m7w s ALA 172 CO -0.02 -0.22 -0.12 0.14 0.00 0.00 0.00 175.76 175.54 3m7w s VAL 173 N 1.34 1.44 -0.22 0.00 -7.23 -0.47 -1.10 120.40 114.15 3m7w s VAL 173 Ca -0.02 -2.13 -0.07 0.00 -1.81 0.00 0.00 61.98 57.94 3m7w s VAL 173 Cb -0.14 -1.95 -0.03 0.00 0.56 0.00 0.00 36.38 34.82 3m7w s VAL 173 CO -0.04 -0.67 0.06 -0.32 -0.31 0.00 0.00 175.10 173.82 3m7w s MET 174 N -3.70 3.76 -0.06 4.82 -2.45 -0.24 0.19 119.30 121.63 3m7w s MET 174 Ca 0.20 -0.44 -0.30 0.00 -1.25 0.00 0.00 55.69 53.90 3m7w s MET 174 Cb 0.01 -3.27 -0.02 0.00 1.25 0.00 0.00 34.83 32.79 3m7w s MET 174 CO 0.04 -0.02 1.07 -1.25 1.05 0.00 0.00 175.02 175.91 3m7w s PRO 175 N 1.15 4.43 0.26 4.11 0.04 -1.26 -2.31 135.00 141.42 3m7w s PRO 175 Ca 0.04 1.51 0.14 0.00 0.04 0.00 0.00 61.00 62.73 3m7w s PRO 175 Cb -0.14 -3.51 0.07 0.00 0.04 0.00 0.00 34.50 30.95 3m7w s PRO 175 CO 0.03 -0.30 1.44 1.96 0.04 0.00 0.00 177.00 180.17 3m7w h GLN 176 N 7.11 0.00 -3.86 4.56 4.20 -1.92 -3.47 115.11 121.73 3m7w h GLN 176 Ca -0.35 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.26 3m7w h GLN 176 Cb 1.17 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.83 3m7w h GLN 176 CO 0.84 0.59 -0.30 -0.08 -0.67 0.00 0.00 178.83 179.21 3m7w s THR 177 N -2.97 0.06 0.46 -0.54 -1.32 -1.26 -5.07 115.64 105.00 3m7w s THR 177 Ca 0.03 -1.36 0.12 0.00 -1.21 0.00 0.00 61.69 59.27 3m7w s THR 177 Cb 0.08 -1.84 0.24 0.00 -1.51 0.00 0.00 72.50 69.48 3m7w s THR 177 CO 0.76 -0.29 2.06 0.07 -2.21 0.00 0.00 174.62 175.01 3m7w h LYS 178 N 2.53 0.20 -0.65 7.08 2.10 -1.94 -1.29 116.57 124.59 3m7w h LYS 178 Ca -0.32 -0.02 0.10 0.00 -2.00 0.00 0.00 60.65 58.41 3m7w h LYS 178 Cb 1.23 -0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 32.48 3m7w h LYS 178 CO 0.48 0.19 0.44 0.00 -2.00 0.00 0.00 179.45 178.55 3m7w h ALA 179 N 1.84 1.94 0.00 0.07 0.00 -1.99 -1.21 119.26 119.91 3m7w h ALA 179 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3m7w h ALA 179 Cb 0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3m7w h ALA 179 CO -0.00 -0.09 -0.01 -0.44 0.00 0.00 0.00 179.25 178.71 3m7w h ASP 180 N 0.50 0.00 -0.35 0.00 3.32 -1.64 -1.25 116.42 117.00 3m7w h ASP 180 Ca 0.30 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.25 3m7w h ASP 180 Cb 0.52 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 3m7w h ASP 180 CO -0.09 0.01 -0.13 0.58 -1.72 0.00 0.00 179.24 177.89 3m7w h VAL 181 N 0.00 1.26 -0.15 -1.35 2.07 -1.33 -2.34 116.25 114.41 3m7w h VAL 181 Ca -0.00 -1.20 -0.12 0.00 0.82 0.00 0.00 66.70 66.20 3m7w h VAL 181 Cb 0.02 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3m7w h VAL 181 CO 0.00 0.41 -0.45 -0.07 0.02 0.00 0.00 177.57 177.48 3m7w h LEU 182 N 0.71 0.38 -0.22 2.57 3.38 -1.31 -2.31 115.31 118.51 3m7w h LEU 182 Ca 0.12 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3m7w h LEU 182 Cb 0.62 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3m7w h LEU 182 CO 0.04 0.78 0.15 0.74 0.09 0.00 0.00 178.44 180.23 3m7w h THR 183 N 0.29 1.05 -0.32 0.22 2.02 -1.16 0.31 112.91 115.33 3m7w h THR 183 Ca 0.02 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 67.11 3m7w h THR 183 Cb 0.90 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 3m7w h THR 183 CO 0.07 0.05 0.17 0.25 0.37 0.00 0.00 175.52 176.44 3m7w h LEU 184 N 0.30 0.27 -0.94 2.58 7.12 -1.31 -0.77 115.31 122.56 3m7w h LEU 184 Ca 0.08 0.01 -0.04 0.00 0.13 0.00 0.00 57.88 58.06 3m7w h LEU 184 Cb -0.03 -0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 40.02 3m7w h LEU 184 CO -0.02 0.20 0.25 -0.07 -0.13 0.00 0.00 178.44 178.67 3m7w h LEU 185 N 0.36 0.94 -0.48 2.25 3.38 -1.14 -0.75 115.31 119.87 3m7w h LEU 185 Ca 0.13 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3m7w h LEU 185 Cb 0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3m7w h LEU 185 CO -0.07 0.85 0.31 0.74 0.09 0.00 0.00 178.44 180.36 3m7w h THR 186 N 0.99 1.13 -0.51 0.22 2.02 -0.02 -0.20 112.91 116.55 3m7w h THR 186 Ca 0.23 -0.25 -0.06 0.00 0.77 0.00 0.00 66.41 67.09 3m7w h THR 186 Cb 0.23 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 3m7w h THR 186 CO -0.02 0.13 0.07 0.00 0.37 0.00 0.00 175.52 176.07 3m7w h ALA 187 N 1.17 1.18 -0.20 6.16 0.00 -0.86 -1.01 119.26 125.69 3m7w h ALA 187 Ca 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3m7w h ALA 187 Cb -0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3m7w h ALA 187 CO -0.04 0.55 0.07 1.15 0.00 0.00 0.00 179.25 180.98 3m7w h THR 188 N 0.76 1.17 -0.37 0.00 2.02 -0.49 -1.55 112.91 114.46 3m7w h THR 188 Ca 0.16 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 3m7w h THR 188 Cb 0.36 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 3m7w h THR 188 CO 0.01 0.17 0.18 0.58 0.37 0.00 0.00 175.52 176.82 3m7w h VAL 189 N 0.15 1.17 -0.43 3.16 2.07 -0.88 -1.35 116.25 120.14 3m7w h VAL 189 Ca 0.06 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 3m7w h VAL 189 Cb 0.20 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3m7w h VAL 189 CO -0.00 0.18 0.24 -0.08 0.02 0.00 0.00 177.57 177.93 3m7w h GLU 190 N 0.47 0.60 0.19 1.57 4.57 -1.09 -0.69 114.58 120.20 3m7w h GLU 190 Ca 0.13 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 3m7w h GLU 190 Cb 0.13 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3m7w h GLU 190 CO -0.02 0.47 -0.09 1.98 -1.18 0.00 0.00 179.01 180.18 3m7w h MET 191 N 0.57 -0.25 -0.53 1.92 4.05 -1.22 0.57 114.93 120.03 3m7w h MET 191 Ca 0.15 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.58 3m7w h MET 191 Cb 0.04 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.87 3m7w h MET 191 CO -0.03 -0.01 0.30 0.37 0.23 0.00 0.00 176.91 177.78 3m7w h GLN 192 N -0.47 0.73 0.05 0.39 -0.00 -1.21 0.38 115.11 114.98 3m7w h GLN 192 Ca -0.03 -0.08 -0.21 0.00 -0.00 0.00 0.00 58.65 58.33 3m7w h GLN 192 Cb 0.36 -0.15 0.02 0.00 0.00 0.00 0.00 27.48 27.71 3m7w h GLN 192 CO 0.04 0.55 -0.87 0.93 0.00 0.00 0.00 178.83 179.48 3m7w h GLU 193 N 0.71 0.49 0.00 1.69 5.08 -1.15 -3.38 114.58 118.02 3m7w h GLU 193 Ca 0.19 -0.60 -0.33 0.00 -1.00 0.00 0.00 59.36 57.61 3m7w h GLU 193 Cb 0.02 0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 3m7w h GLU 193 CO -0.03 1.23 -2.24 -2.13 -1.00 0.00 0.00 179.01 174.84 3m7w n ARG 194 N -4.04 0.68 0.00 2.33 0.63 0.19 -4.83 116.66 111.62 3m7w n ARG 194 Ca -0.12 0.03 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 3m7w n ARG 194 Cb 0.81 -1.57 0.00 0.00 0.45 0.00 0.00 32.46 32.15 3m7w n ARG 194 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3m7w n TYR 195 N -2.77 0.00 -2.44 -0.14 4.01 -0.29 -5.05 117.16 110.47 3m7w n TYR 195 Ca -0.28 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.05 3m7w n TYR 195 Cb 1.10 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 40.10 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 -1.77 3.40 -0.12 -0.72 0.00 0.12 -4.90 121.76 117.77 3m7w s ALA 196 Ca 0.00 0.89 0.18 0.00 0.00 0.00 0.00 51.96 53.02 3m7w s ALA 196 Cb 0.00 -3.38 0.27 0.00 0.00 0.00 0.00 23.12 20.01 3m7w s ALA 196 CO 0.00 -0.28 1.14 -0.40 0.00 0.00 0.00 175.76 176.22 3m7w n ASP 197 N 2.28 2.27 -3.90 0.00 5.75 -1.26 -4.92 116.55 116.76 3m7w n ASP 197 Ca 0.03 -3.01 -0.09 0.00 -0.01 0.00 0.00 54.79 51.71 3m7w n ASP 197 Cb 0.45 -0.40 -0.04 0.00 -1.03 0.00 0.00 41.12 40.10 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 1.55 0.63 0.11 1.70 -1.26 -4.01 118.95 114.95 3m7w s ARG 198 Ca 0.30 -1.09 -0.17 0.00 -0.47 0.00 0.00 55.73 54.29 3m7w s ARG 198 Cb 0.26 0.51 -0.01 0.00 -0.57 0.00 0.00 34.95 35.14 3m7w s ARG 198 CO 0.03 -0.67 1.15 -2.14 -1.08 0.00 0.00 175.30 172.59 3m7w s PRO 199 N -3.96 2.86 0.17 3.89 0.02 -1.21 -4.98 135.00 131.79 3m7w s PRO 199 Ca 0.16 1.58 0.05 0.00 0.02 0.00 0.00 61.00 62.82 3m7w s PRO 199 Cb -0.02 -1.94 -0.05 0.00 0.02 0.00 0.00 34.50 32.51 3m7w s PRO 199 CO 0.05 -1.24 -0.11 0.96 -0.33 0.00 0.00 177.00 176.34 3m7w s ILE 200 N -2.01 1.32 -0.09 2.83 -4.36 -1.26 -3.75 121.20 113.87 3m7w s ILE 200 Ca 0.71 -2.10 0.01 0.00 -0.26 0.00 0.00 60.65 59.02 3m7w s ILE 200 Cb -0.24 -1.92 0.02 0.00 1.25 0.00 0.00 42.46 41.56 3m7w s ILE 200 CO 0.37 -0.69 -0.12 -0.63 0.24 0.00 0.00 174.94 174.11 3m7w s ILE 201 N -3.24 1.19 0.05 8.37 1.01 -0.10 -0.22 121.20 128.25 3m7w s ILE 201 Ca 0.19 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.39 3m7w s ILE 201 Cb 0.02 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.34 3m7w s ILE 201 CO 0.03 0.38 -0.06 0.42 0.00 0.00 0.00 174.94 175.71 3m7w s THR 202 N 1.05 0.44 -0.17 2.92 -4.23 -1.26 -1.85 115.64 112.53 3m7w s THR 202 Ca -0.07 -1.37 -0.26 0.00 -1.18 0.00 0.00 61.69 58.81 3m7w s THR 202 Cb -0.15 -0.95 0.07 0.00 1.34 0.00 0.00 72.50 72.81 3m7w s THR 202 CO -0.01 -0.62 0.67 0.00 -0.54 0.00 0.00 174.62 174.11 3m7w s MET 203 N -2.48 0.88 -0.26 3.99 0.23 -0.79 -4.80 119.30 116.07 3m7w s MET 203 Ca -0.03 0.66 -0.09 0.00 -1.03 0.00 0.00 55.69 55.20 3m7w s MET 203 Cb -0.03 0.42 -0.04 0.00 -1.53 0.00 0.00 34.83 33.65 3m7w s MET 203 CO -0.03 -0.18 0.11 0.45 -2.03 0.00 0.00 175.02 173.35 3m7w s SER 204 N -0.26 5.47 0.95 -1.18 0.15 -1.26 -1.37 113.70 116.20 3m7w s SER 204 Ca -0.04 -0.13 -0.15 0.00 0.70 0.00 0.00 55.95 56.32 3m7w s SER 204 Cb -0.03 -2.00 0.18 0.00 -1.71 0.00 0.00 66.02 62.47 3m7w s SER 204 CO 0.04 -0.04 1.29 -0.04 1.20 0.00 0.00 173.24 175.69 3m7w s MET 205 N 1.66 0.78 0.16 5.44 1.00 0.13 -4.14 119.30 124.33 3m7w s MET 205 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 55.69 55.47 3m7w s MET 205 Cb -0.15 -1.85 0.00 0.00 0.00 0.00 0.00 34.83 32.83 3m7w s MET 205 CO 0.06 -2.34 0.00 -1.13 0.00 0.00 0.00 175.02 171.61 3m7w n SER 206 N -3.74 -2.69 -0.26 3.03 3.41 -0.46 -3.03 113.62 109.88 3m7w n SER 206 Ca 0.14 0.35 0.10 0.00 -0.26 0.00 0.00 58.87 59.20 3m7w n SER 206 Cb 0.60 -1.49 0.36 0.00 -0.26 0.00 0.00 64.21 63.41 3m7w n SER 206 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3m7w h LYS 207 N -0.44 0.72 -0.63 4.33 1.57 -1.85 -2.01 116.57 118.26 3m7w h LYS 207 Ca -0.03 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3m7w h LYS 207 Cb 0.43 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 3m7w h LYS 207 CO 0.02 0.48 0.38 1.15 -0.57 0.00 0.00 179.45 180.91 3m7w h THR 208 N 0.74 1.18 -0.14 -0.16 2.02 -1.94 -2.74 112.91 111.87 3m7w h THR 208 Ca 0.43 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 67.22 3m7w h THR 208 Cb 0.60 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3m7w h THR 208 CO -0.19 0.18 0.00 0.61 0.37 0.00 0.00 175.52 176.50 3m7w n GLY 209 N -1.34 0.55 0.42 2.16 0.00 -0.78 -4.60 105.19 101.59 3m7w n GLY 209 Ca 0.06 -0.52 0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 2.98 0.65 -0.04 1.61 3.04 -1.24 0.91 116.25 124.16 3m7w h VAL 210 Ca 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.70 3m7w h VAL 210 Cb 0.64 0.66 -0.00 0.00 -2.01 0.00 0.00 31.29 30.58 3m7w h VAL 210 CO 0.00 0.00 0.03 -0.29 -1.01 0.00 0.00 177.57 176.30 3m7w h ILE 211 N 0.00 0.85 0.00 3.17 6.09 -1.83 -0.21 117.51 125.59 3m7w h ILE 211 Ca 0.32 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.80 3m7w h ILE 211 Cb 1.29 0.98 -0.00 0.00 0.47 0.00 0.00 36.82 39.56 3m7w h ILE 211 CO -0.00 0.00 -0.03 0.77 -3.07 0.00 0.00 178.15 175.81 3m7w h SER 212 N 0.00 0.00 0.57 2.19 4.64 -1.11 -1.22 113.55 118.62 3m7w h SER 212 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3m7w h SER 212 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3m7w h SER 212 CO -0.00 0.03 -0.46 0.54 -0.87 0.00 0.00 176.83 176.07 3m7w n ARG 213 N -3.16 0.02 -0.08 4.77 1.74 -0.10 -4.37 116.66 115.48 3m7w n ARG 213 Ca -0.00 0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 3m7w n ARG 213 Cb 0.29 -1.51 -0.09 0.00 -1.02 0.00 0.00 32.46 30.13 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 -1.54 1.63 -2.11 0.55 4.77 -0.61 -4.71 117.00 114.98 3m7w n LEU 214 Ca 0.05 -0.05 -0.23 0.00 -0.03 0.00 0.00 56.01 55.76 3m7w n LEU 214 Cb 0.34 -0.18 0.15 0.00 -2.33 0.00 0.00 43.42 41.41 3m7w n LEU 214 CO 0.34 0.58 1.23 0.00 -1.33 0.00 0.00 177.39 178.21 3m7w n ALA 215 N -2.76 5.36 0.18 -1.18 0.00 -0.56 -4.60 120.51 116.95 3m7w n ALA 215 Ca -0.26 -2.64 0.05 0.00 0.00 0.00 0.00 53.44 50.59 3m7w n ALA 215 Cb 0.87 -1.43 0.48 0.00 0.00 0.00 0.00 19.45 19.36 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 1.42 0.11 1.02 0.00 0.00 -1.79 -2.05 103.07 101.78 3m7w h GLY 216 Ca 0.57 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.80 3m7w h GLY 216 CO 1.04 0.06 0.30 -2.09 0.00 0.00 0.00 176.54 175.85 3m7w h GLU 217 N 0.10 1.03 0.01 4.80 4.81 -1.81 0.35 114.58 123.87 3m7w h GLU 217 Ca 0.02 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.05 3m7w h GLU 217 Cb 0.28 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.48 3m7w h GLU 217 CO 0.02 0.84 -0.10 0.28 -0.73 0.00 0.00 179.01 179.31 3m7w h VAL 218 N 0.98 1.68 0.00 0.32 2.07 -1.90 -3.39 116.25 116.02 3m7w h VAL 218 Ca 0.24 -2.15 -0.00 0.00 0.82 0.00 0.00 66.70 65.61 3m7w h VAL 218 Cb 0.17 3.12 -0.00 0.00 -1.52 0.00 0.00 31.29 33.07 3m7w h VAL 218 CO -0.02 0.57 -0.32 -0.26 0.02 0.00 0.00 177.57 177.55 3m7w h PHE 219 N -0.80 0.00 0.00 1.57 0.04 -1.30 -3.48 116.94 112.96 3m7w h PHE 219 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 3m7w h PHE 219 Cb 0.99 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.14 3m7w h PHE 219 CO 0.23 0.02 0.00 0.41 -0.60 0.00 0.00 178.31 178.37 3m7w n GLY 220 N 1.13 1.57 3.65 -1.45 0.00 0.08 -3.98 105.19 106.18 3m7w n GLY 220 Ca 0.03 0.00 -0.40 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 -2.00 6.54 0.16 1.61 0.15 -0.99 -4.40 113.70 114.76 3m7w s SER 221 Ca 0.00 0.65 0.26 0.00 0.70 0.00 0.00 55.95 57.56 3m7w s SER 221 Cb 0.00 -2.30 0.81 0.00 -1.71 0.00 0.00 66.02 62.82 3m7w s SER 221 CO 0.00 -0.23 1.73 0.00 1.20 0.00 0.00 173.24 175.93 3m7w n ALA 222 N 5.10 2.42 -2.88 5.45 0.00 0.69 -4.29 120.51 127.00 3m7w n ALA 222 Ca -0.04 -0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 3m7w n ALA 222 Cb 0.50 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.48 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 -3.09 -0.51 -0.14 0.00 0.00 -1.26 -1.88 121.76 114.87 3m7w s ALA 223 Ca 0.11 -0.45 -0.17 0.00 0.00 0.00 0.00 51.96 51.45 3m7w s ALA 223 Cb 0.14 0.72 0.04 0.00 0.00 0.00 0.00 23.12 24.03 3m7w s ALA 223 CO 0.61 -0.65 0.46 -0.08 0.00 0.00 0.00 175.76 176.10 3m7w s THR 224 N -3.88 0.01 -0.04 0.00 -1.32 0.03 -4.63 115.64 105.81 3m7w s THR 224 Ca 0.09 -0.06 -0.13 0.00 -1.21 0.00 0.00 61.69 60.37 3m7w s THR 224 Cb 0.02 -0.67 -0.05 0.00 -1.51 0.00 0.00 72.50 70.29 3m7w s THR 224 CO -0.07 -0.04 0.34 -0.36 -2.21 0.00 0.00 174.62 172.28 3m7w s PHE 225 N -0.06 3.68 0.34 9.09 0.40 -1.26 -0.87 117.98 129.31 3m7w s PHE 225 Ca -0.03 0.86 0.04 0.00 -0.60 0.00 0.00 56.93 57.20 3m7w s PHE 225 Cb -0.03 -2.21 -0.06 0.00 0.51 0.00 0.00 43.02 41.23 3m7w s PHE 225 CO 0.02 0.64 0.07 0.20 0.70 0.00 0.00 175.22 176.85 3m7w s GLY 226 N -0.97 2.19 -0.06 4.36 0.00 -0.68 -4.54 107.32 107.62 3m7w s GLY 226 Ca 0.21 -1.88 0.03 0.00 0.00 0.00 0.00 44.72 43.07 3m7w s GLY 226 CO 0.11 -1.83 -0.12 0.00 0.00 0.00 0.00 173.10 171.25 3m7w s ALA 227 N -3.27 2.75 0.00 3.20 0.00 0.38 -4.43 121.76 120.38 3m7w s ALA 227 Ca 0.34 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.34 3m7w s ALA 227 Cb 0.08 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 22.15 3m7w s ALA 227 CO 0.15 0.55 0.00 0.28 0.00 0.00 0.00 175.76 176.74 3m7w n VAL 228 N 2.32 0.00 -0.04 0.00 0.31 -1.26 -0.68 118.33 118.98 3m7w n VAL 228 Ca -0.17 0.44 -0.06 0.00 -0.01 0.00 0.00 64.34 64.54 3m7w n VAL 228 Cb 0.52 -1.35 -0.04 0.00 -0.91 0.00 0.00 33.84 32.07 3m7w n VAL 228 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3m7w n LYS 229 N -1.99 0.23 -4.39 5.55 5.02 -1.26 -4.77 118.16 116.54 3m7w n LYS 229 Ca 0.00 0.05 -0.19 0.00 -2.02 0.00 0.00 58.31 56.14 3m7w n LYS 229 Cb 0.00 -1.16 -0.14 0.00 -0.02 0.00 0.00 35.03 33.71 3m7w n LYS 229 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3m7w s LYS 230 N -2.16 0.86 0.43 1.97 -2.85 -1.26 -5.13 119.74 111.60 3m7w s LYS 230 Ca -0.11 -0.53 -0.23 0.00 -1.00 0.00 0.00 55.97 54.10 3m7w s LYS 230 Cb 0.03 -0.83 -0.08 0.00 -2.06 0.00 0.00 37.83 34.88 3m7w s LYS 230 CO 0.19 0.22 1.10 0.00 0.10 0.00 0.00 175.35 176.95 3m7w s ALA 231 N -0.53 3.03 -2.39 0.59 0.00 -1.26 -4.81 121.76 116.39 3m7w s ALA 231 Ca 0.02 0.79 0.23 0.00 0.00 0.00 0.00 51.96 53.01 3m7w s ALA 231 Cb -0.06 -3.32 0.11 0.00 0.00 0.00 0.00 23.12 19.86 3m7w s ALA 231 CO 0.00 -0.40 1.18 -1.13 0.00 0.00 0.00 175.76 175.41 3m7w n SER 232 N -0.28 2.34 -3.49 0.00 3.41 -1.26 -4.96 113.62 109.38 3m7w n SER 232 Ca 0.06 -1.67 -0.14 0.00 -0.26 0.00 0.00 58.87 56.86 3m7w n SER 232 Cb 0.49 0.28 -0.04 0.00 -0.26 0.00 0.00 64.21 64.68 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 -2.29 -1.73 0.33 7.33 0.00 -1.26 -5.14 121.76 119.00 3m7w s ALA 233 Ca 0.23 0.99 -0.29 0.00 0.00 0.00 0.00 51.96 52.88 3m7w s ALA 233 Cb 0.19 0.32 -0.11 0.00 0.00 0.00 0.00 23.12 23.52 3m7w s ALA 233 CO 0.47 -0.56 1.56 -2.30 0.00 0.00 0.00 175.76 174.92 3m7w n PRO 234 N 0.24 2.71 -0.50 0.00 -0.02 -1.26 -3.16 135.00 133.01 3m7w n PRO 234 Ca -0.16 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3m7w n PRO 234 Cb 0.61 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 3m7w n PRO 234 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m7w n GLY 235 N 1.44 0.82 3.77 -1.23 0.00 -1.26 -1.35 105.19 107.39 3m7w n GLY 235 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.46 4.15 0.38 1.61 -0.21 -1.19 -4.69 119.66 119.25 3m7w s GLN 236 Ca 0.00 1.66 0.08 0.00 0.02 0.00 0.00 55.36 57.12 3m7w s GLN 236 Cb 0.00 -2.64 -0.03 0.00 1.00 0.00 0.00 33.01 31.33 3m7w s GLN 236 CO 0.00 -0.19 0.26 0.96 -2.12 0.00 0.00 175.29 174.20 3m7w s ILE 237 N -1.52 2.84 0.41 1.08 -4.36 -1.26 -4.79 121.20 113.60 3m7w s ILE 237 Ca 0.57 -1.51 -0.26 0.00 -0.26 0.00 0.00 60.65 59.19 3m7w s ILE 237 Cb -0.26 -3.03 -0.10 0.00 1.25 0.00 0.00 42.46 40.32 3m7w s ILE 237 CO 0.33 -0.08 1.32 -1.54 0.24 0.00 0.00 174.94 175.21 3m7w n SER 238 N -1.35 2.81 -0.13 4.36 3.41 -1.26 -0.47 113.62 120.98 3m7w n SER 238 Ca -0.00 1.14 0.08 0.00 -0.26 0.00 0.00 58.87 59.82 3m7w n SER 238 Cb 0.62 -1.52 0.40 0.00 -0.26 0.00 0.00 64.21 63.45 3m7w n SER 238 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 3m7w h VAL 239 N 2.26 1.00 -0.51 -3.33 -1.51 -1.20 -0.76 116.25 112.20 3m7w h VAL 239 Ca -0.48 -0.22 -0.03 0.00 -1.23 0.00 0.00 66.70 64.74 3m7w h VAL 239 Cb 1.28 0.31 -0.02 0.00 -2.13 0.00 0.00 31.29 30.73 3m7w h VAL 239 CO 0.61 0.12 0.22 0.00 -1.23 0.00 0.00 177.57 177.28 3m7w h ALA 240 N 1.65 0.66 -0.15 5.19 0.00 -1.88 0.04 119.26 124.76 3m7w h ALA 240 Ca 0.28 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 3m7w h ALA 240 Cb 0.29 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3m7w h ALA 240 CO -0.09 0.26 -0.51 -0.44 0.00 0.00 0.00 179.25 178.48 3m7w h ASP 241 N 0.68 0.45 -0.16 0.00 3.32 -1.71 -1.19 116.42 117.81 3m7w h ASP 241 Ca 0.17 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 3m7w h ASP 241 Cb 0.18 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3m7w h ASP 241 CO -0.02 0.88 0.06 0.25 -1.72 0.00 0.00 179.24 178.69 3m7w h LEU 242 N 0.32 0.23 -0.34 1.55 5.85 -0.94 -2.12 115.31 119.86 3m7w h LEU 242 Ca 0.01 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.58 3m7w h LEU 242 Cb 1.00 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 3m7w h LEU 242 CO 0.09 0.34 0.19 -0.09 -0.34 0.00 0.00 178.44 178.63 3m7w h ARG 243 N 0.10 0.37 -0.31 1.25 9.65 -0.81 -0.89 114.38 123.76 3m7w h ARG 243 Ca 0.05 -0.02 0.07 0.00 -1.10 0.00 0.00 59.98 58.98 3m7w h ARG 243 Cb 0.19 -0.08 -0.08 0.00 -1.39 0.00 0.00 29.97 28.61 3m7w h ARG 243 CO -0.00 0.25 -0.23 1.15 2.80 0.00 0.00 179.97 183.93 3m7w h THR 244 N 0.39 0.39 -0.33 0.20 2.02 -1.07 0.14 112.91 114.66 3m7w h THR 244 Ca 0.14 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.26 3m7w h THR 244 Cb 0.02 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 3m7w h THR 244 CO -0.07 0.00 -0.01 0.58 0.37 0.00 0.00 175.52 176.39 3m7w h VAL 245 N -0.20 1.26 -0.99 3.16 2.07 -1.09 -1.73 116.25 118.73 3m7w h VAL 245 Ca 0.16 -0.98 0.05 0.00 0.82 0.00 0.00 66.70 66.75 3m7w h VAL 245 Cb 0.45 1.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.40 3m7w h VAL 245 CO -0.43 0.32 0.64 -0.07 0.02 0.00 0.00 177.57 178.05 3m7w h LEU 246 N 0.39 1.05 -0.35 2.57 3.38 -0.86 -0.51 115.31 120.97 3m7w h LEU 246 Ca 0.09 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3m7w h LEU 246 Cb 0.46 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3m7w h LEU 246 CO 0.02 0.70 -0.03 0.74 0.09 0.00 0.00 178.44 179.95 3m7w h THR 247 N 1.21 1.27 -0.60 0.22 2.02 -0.81 0.37 112.91 116.59 3m7w h THR 247 Ca 0.41 -1.05 0.01 0.00 0.77 0.00 0.00 66.41 66.55 3m7w h THR 247 Cb 0.07 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 3m7w h THR 247 CO -0.15 0.35 0.39 0.40 0.37 0.00 0.00 175.52 176.88 3m7w h ILE 248 N 0.45 1.13 -0.05 3.11 2.04 -0.64 -1.95 117.51 121.60 3m7w h ILE 248 Ca 0.10 -0.27 -0.13 0.00 1.00 0.00 0.00 64.86 65.56 3m7w h ILE 248 Cb 0.51 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3m7w h ILE 248 CO 0.02 0.14 -0.56 -0.07 0.00 0.00 0.00 178.15 177.69 3m7w h LEU 249 N 0.78 0.17 -0.88 1.44 3.38 -0.99 -0.73 115.31 118.49 3m7w h LEU 249 Ca 0.23 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 3m7w h LEU 249 Cb -0.06 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3m7w h LEU 249 CO -0.06 0.69 -0.48 -0.74 0.09 0.00 0.00 178.44 177.94 3m7w h HIS 250 N 0.11 0.00 -0.13 1.13 2.76 -0.52 -3.20 115.15 115.31 3m7w h HIS 250 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3m7w h HIS 250 Cb 1.03 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.99 3m7w h HIS 250 CO 0.01 0.48 0.00 1.04 -1.30 0.00 0.00 177.93 178.16 3m7w n GLN 251 N -3.67 1.66 0.00 5.26 6.02 -0.77 -5.07 117.38 120.80 3m7w n GLN 251 Ca -0.01 -1.68 0.09 0.00 -0.01 0.00 0.00 57.00 55.39 3m7w n GLN 251 Cb 0.55 -1.34 0.55 0.00 1.02 0.00 0.00 30.24 31.02 3m7w n GLN 251 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05