#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 2.07 -0.12 3.15 -4.23 -1.26 -3.39 115.64 111.86 3m7w s THR 3 Ca 0.00 -1.77 -0.01 0.00 -1.18 0.00 0.00 61.69 58.74 3m7w s THR 3 Cb 0.00 -2.84 0.03 0.00 1.34 0.00 0.00 72.50 71.03 3m7w s THR 3 CO 0.00 0.00 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.32 3m7w s VAL 4 N -2.66 1.00 -0.26 2.29 1.01 -0.28 -4.88 120.40 116.61 3m7w s VAL 4 Ca 0.36 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 3m7w s VAL 4 Cb 0.04 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 3m7w s VAL 4 CO 0.20 0.31 0.22 -0.89 0.00 0.00 0.00 175.10 174.93 3m7w s THR 5 N 1.71 5.30 -0.24 3.92 2.01 -1.26 -0.21 115.64 126.87 3m7w s THR 5 Ca 0.04 0.27 0.02 0.00 0.31 0.00 0.00 61.69 62.33 3m7w s THR 5 Cb -0.13 -3.56 0.05 0.00 0.01 0.00 0.00 72.50 68.87 3m7w s THR 5 CO -0.08 0.27 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.31 3m7w s VAL 6 N 1.55 2.04 0.00 3.82 1.01 0.08 -4.95 120.40 123.95 3m7w s VAL 6 Ca 0.09 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 60.66 3m7w s VAL 6 Cb -0.15 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.12 3m7w s VAL 6 CO 0.09 0.08 0.00 0.54 0.00 0.00 0.00 175.10 175.81 3m7w n ARG 7 N 4.51 0.00 0.00 2.72 1.74 -1.26 -1.32 116.66 123.05 3m7w n ARG 7 Ca -0.15 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.05 3m7w n ARG 7 Cb 0.44 0.00 0.20 0.00 -1.02 0.00 0.00 32.46 32.08 3m7w n ARG 7 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3m7w n ASP 8 N 7.39 2.47 -4.67 0.55 3.85 -1.26 -4.93 116.55 119.95 3m7w n ASP 8 Ca 0.00 -1.79 -0.40 0.00 -0.71 0.00 0.00 54.79 51.89 3m7w n ASP 8 Cb 0.00 0.06 -0.05 0.00 -1.35 0.00 0.00 41.12 39.78 3m7w n ASP 8 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 3m7w s LEU 9 N -2.07 4.19 -0.50 -2.12 2.96 -0.43 -5.03 118.68 115.67 3m7w s LEU 9 Ca 0.29 1.01 -0.13 0.00 -0.22 0.00 0.00 54.13 55.08 3m7w s LEU 9 Cb 0.20 -3.04 0.11 0.00 0.50 0.00 0.00 46.19 43.96 3m7w s LEU 9 CO 0.35 -0.29 0.41 -0.69 -1.32 0.00 0.00 176.35 174.81 3m7w s VAL 10 N 1.79 4.76 0.05 1.68 1.01 -1.26 -0.74 120.40 127.69 3m7w s VAL 10 Ca 0.33 -1.54 -0.27 0.00 0.00 0.00 0.00 61.98 60.51 3m7w s VAL 10 Cb -0.16 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 3m7w s VAL 10 CO 0.12 -0.76 0.84 -0.69 0.00 0.00 0.00 175.10 174.61 3m7w s VAL 11 N 1.50 4.69 0.00 2.92 1.01 0.70 -3.48 120.40 127.75 3m7w s VAL 11 Ca 0.04 1.80 0.00 0.00 0.00 0.00 0.00 61.98 63.82 3m7w s VAL 11 Cb -0.27 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 31.91 3m7w s VAL 11 CO 0.02 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.05 3m7w n GLY 12 N 2.44 0.68 3.12 4.51 0.00 -1.26 -1.12 105.19 113.55 3m7w n GLY 12 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.82 1.07 3.68 1.61 2.12 -1.23 -4.83 118.70 120.30 3m7w s GLU 13 Ca 0.00 -0.59 0.00 0.00 0.36 0.00 0.00 54.97 54.74 3m7w s GLU 13 Cb 0.00 -1.05 0.00 0.00 0.26 0.00 0.00 34.13 33.34 3m7w s GLU 13 CO 0.00 0.28 0.00 0.41 -0.54 0.00 0.00 175.26 175.41 3m7w n GLY 14 N 2.44 0.47 3.79 -1.50 0.00 -1.26 -4.81 105.19 104.32 3m7w n GLY 14 Ca -0.15 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.55 2.73 0.49 4.61 0.00 -1.26 -4.98 121.76 121.80 3m7w s ALA 15 Ca 0.00 0.66 -0.23 0.00 0.00 0.00 0.00 51.96 52.39 3m7w s ALA 15 Cb 0.00 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.74 3m7w s ALA 15 CO 0.00 -0.69 1.22 -2.30 0.00 0.00 0.00 175.76 173.99 3m7w n PRO 16 N -1.43 1.64 -3.22 0.00 -0.02 -1.26 -4.91 135.00 125.80 3m7w n PRO 16 Ca 0.10 0.59 -0.34 0.00 -2.02 0.00 0.00 63.50 61.83 3m7w n PRO 16 Cb 0.52 -2.37 -0.06 0.00 -0.02 0.00 0.00 33.50 31.57 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 -2.48 4.05 -0.15 -0.52 -0.14 -0.33 -4.84 119.74 115.33 3m7w s LYS 17 Ca 0.67 0.63 -0.13 0.00 -1.36 0.00 0.00 55.97 55.78 3m7w s LYS 17 Cb -0.47 -2.72 -0.05 0.00 -1.68 0.00 0.00 37.83 32.92 3m7w s LYS 17 CO 0.54 0.33 0.28 0.42 -0.76 0.00 0.00 175.35 176.16 3m7w s ILE 18 N -1.70 5.31 0.02 2.17 1.01 -1.26 -0.01 121.20 126.74 3m7w s ILE 18 Ca 0.46 0.53 0.08 0.00 0.00 0.00 0.00 60.65 61.71 3m7w s ILE 18 Cb -0.13 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 3m7w s ILE 18 CO 0.19 0.41 -0.22 -0.63 0.00 0.00 0.00 174.94 174.69 3m7w s ILE 19 N 0.32 2.42 0.04 2.92 1.01 -0.49 -0.34 121.20 127.07 3m7w s ILE 19 Ca 0.16 -1.18 0.04 0.00 0.00 0.00 0.00 60.65 59.67 3m7w s ILE 19 Cb -0.13 -1.94 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 3m7w s ILE 19 CO 0.04 0.44 -0.12 0.68 0.00 0.00 0.00 174.94 175.98 3m7w s VAL 20 N -0.78 0.92 -0.18 2.92 -7.23 -0.84 -1.46 120.40 113.74 3m7w s VAL 20 Ca 0.12 -0.98 -0.09 0.00 -1.81 0.00 0.00 61.98 59.22 3m7w s VAL 20 Cb -0.10 -0.86 -0.05 0.00 0.56 0.00 0.00 36.38 35.93 3m7w s VAL 20 CO 0.02 -0.10 0.14 -0.44 -0.31 0.00 0.00 175.10 174.42 3m7w s SER 21 N -1.21 6.27 -0.21 4.85 0.01 -1.26 -0.02 113.70 122.13 3m7w s SER 21 Ca -0.01 0.31 -0.10 0.00 1.31 0.00 0.00 55.95 57.46 3m7w s SER 21 Cb -0.08 -2.09 -0.05 0.00 0.21 0.00 0.00 66.02 64.01 3m7w s SER 21 CO 0.01 0.23 0.12 -0.22 0.41 0.00 0.00 173.24 173.80 3m7w s LEU 22 N 0.01 4.08 -0.20 2.44 0.20 0.89 -4.91 118.68 121.19 3m7w s LEU 22 Ca 0.10 0.15 0.00 0.00 0.69 0.00 0.00 54.13 55.08 3m7w s LEU 22 Cb -0.11 -2.07 0.05 0.00 -0.43 0.00 0.00 46.19 43.63 3m7w s LEU 22 CO -0.00 0.14 -0.07 -0.04 -0.29 0.00 0.00 176.35 176.09 3m7w s MET 23 N 0.61 1.68 -0.03 1.98 -1.94 -1.26 -1.77 119.30 118.56 3m7w s MET 23 Ca 0.07 -0.80 -0.02 0.00 -1.71 0.00 0.00 55.69 53.23 3m7w s MET 23 Cb -0.12 -2.36 0.01 0.00 2.01 0.00 0.00 34.83 34.37 3m7w s MET 23 CO 0.01 -0.50 0.06 0.20 -0.01 0.00 0.00 175.02 174.78 3m7w s GLY 24 N 1.47 -0.02 -0.03 -0.03 0.00 -1.26 -4.90 107.32 102.54 3m7w s GLY 24 Ca -0.02 0.24 -0.22 0.00 0.00 0.00 0.00 44.72 44.72 3m7w s GLY 24 CO -0.07 0.32 1.00 0.50 0.00 0.00 0.00 173.10 174.84 3m7w h LYS 25 N 6.37 0.29 -5.70 2.90 6.56 -1.91 -3.14 116.57 121.94 3m7w h LYS 25 Ca -0.30 -0.37 -0.61 0.00 -1.06 0.00 0.00 60.65 58.31 3m7w h LYS 25 Cb 1.19 0.12 -0.11 0.00 -0.57 0.00 0.00 32.23 32.86 3m7w h LYS 25 CO 0.47 1.09 -0.53 0.95 -2.06 0.00 0.00 179.45 179.37 3m7w s THR 26 N -2.88 1.99 0.34 -0.16 -4.23 -1.26 -0.65 115.64 108.78 3m7w s THR 26 Ca -0.14 -1.86 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 3m7w s THR 26 Cb 0.02 -2.84 0.18 0.00 1.34 0.00 0.00 72.50 71.19 3m7w s THR 26 CO 0.80 0.00 1.90 -0.29 -0.54 0.00 0.00 174.62 176.48 3m7w h ILE 27 N 1.53 1.19 -0.44 2.99 6.09 -1.95 0.76 117.51 127.67 3m7w h ILE 27 Ca -0.43 -0.69 -0.11 0.00 -1.37 0.00 0.00 64.86 62.26 3m7w h ILE 27 Cb 1.26 0.82 -0.01 0.00 0.47 0.00 0.00 36.82 39.36 3m7w h ILE 27 CO 0.75 0.25 -0.17 0.74 -3.07 0.00 0.00 178.15 176.64 3m7w h THR 28 N 0.56 1.27 -0.59 2.19 2.02 -1.99 -1.41 112.91 114.96 3m7w h THR 28 Ca 0.13 -1.31 -0.07 0.00 0.77 0.00 0.00 66.41 65.93 3m7w h THR 28 Cb 0.26 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 3m7w h THR 28 CO 0.00 0.44 0.11 0.44 0.37 0.00 0.00 175.52 176.88 3m7w h ASP 29 N 0.72 0.93 -0.35 4.18 3.32 -1.86 -1.84 116.42 121.52 3m7w h ASP 29 Ca 0.10 -0.26 0.03 0.00 0.02 0.00 0.00 57.03 56.93 3m7w h ASP 29 Cb 0.73 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 3m7w h ASP 29 CO 0.06 0.95 0.16 0.58 -1.72 0.00 0.00 179.24 179.26 3m7w h VAL 30 N 0.88 0.95 -0.80 -1.35 2.07 -0.61 -1.14 116.25 116.25 3m7w h VAL 30 Ca 0.18 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 3m7w h VAL 30 Cb 0.41 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 3m7w h VAL 30 CO 0.01 0.06 0.38 0.11 0.02 0.00 0.00 177.57 178.15 3m7w h LYS 31 N 0.33 1.15 -0.57 1.57 1.57 -1.11 -0.07 116.57 119.44 3m7w h LYS 31 Ca 0.15 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 3m7w h LYS 31 Cb 0.09 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 3m7w h LYS 31 CO -0.13 0.90 0.03 0.66 -0.57 0.00 0.00 179.45 180.34 3m7w h SER 32 N 1.13 0.96 -0.16 0.86 4.64 -0.93 -1.90 113.55 118.15 3m7w h SER 32 Ca 0.27 -0.29 -0.06 0.00 -0.47 0.00 0.00 61.79 61.24 3m7w h SER 32 Cb 0.13 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3m7w h SER 32 CO -0.03 1.01 -0.12 -0.33 -0.87 0.00 0.00 176.83 176.49 3m7w h GLU 33 N 0.87 0.37 -0.20 4.77 4.39 -0.96 -1.61 114.58 122.20 3m7w h GLU 33 Ca 0.17 -0.18 0.04 0.00 0.34 0.00 0.00 59.36 59.73 3m7w h GLU 33 Cb 0.50 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 3m7w h GLU 33 CO 0.02 0.72 -0.07 0.00 -1.16 0.00 0.00 179.01 178.52 3m7w h ALA 34 N 0.65 0.11 -0.91 3.43 0.00 -0.95 -0.66 119.26 120.93 3m7w h ALA 34 Ca 0.03 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3m7w h ALA 34 Cb 0.63 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 3m7w h ALA 34 CO 0.03 -0.50 0.60 -0.07 0.00 0.00 0.00 179.25 179.32 3m7w h LEU 35 N -0.03 1.02 -1.86 0.00 3.38 -1.35 -1.62 115.31 114.86 3m7w h LEU 35 Ca 0.10 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3m7w h LEU 35 Cb 0.19 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3m7w h LEU 35 CO -0.23 0.72 -0.03 0.00 0.09 0.00 0.00 178.44 178.99 3m7w h ALA 36 N 1.45 1.03 -0.00 1.53 0.00 -0.18 -2.77 119.26 120.32 3m7w h ALA 36 Ca 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3m7w h ALA 36 Cb -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3m7w h ALA 36 CO -0.09 0.04 -0.46 0.66 0.00 0.00 0.00 179.25 179.40 3m7w n TYR 37 N -3.17 0.00 0.28 0.00 4.02 -0.38 -4.47 117.16 113.44 3m7w n TYR 37 Ca -0.01 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.00 3m7w n TYR 37 Cb 0.25 -0.25 0.76 0.00 -0.02 0.00 0.00 39.34 40.08 3m7w n TYR 37 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 3m7w h ARG 38 N 0.10 0.00 0.00 -0.72 1.12 -1.29 -2.11 114.38 111.48 3m7w h ARG 38 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 3m7w h ARG 38 Cb 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.46 3m7w h ARG 38 CO 0.00 0.01 -0.81 0.39 -3.11 0.00 0.00 179.97 176.44 3m7w n GLU 39 N -4.22 0.35 -2.19 0.20 1.02 -1.26 -4.96 120.64 109.58 3m7w n GLU 39 Ca -0.03 0.06 -0.35 0.00 -0.02 0.00 0.00 57.16 56.82 3m7w n GLU 39 Cb 0.09 -1.68 0.01 0.00 -0.02 0.00 0.00 31.44 29.84 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 -3.21 2.66 -0.73 0.62 0.00 -0.80 -4.97 121.76 115.33 3m7w s ALA 40 Ca 0.04 0.88 -0.16 0.00 0.00 0.00 0.00 51.96 52.72 3m7w s ALA 40 Cb 0.13 -3.39 0.16 0.00 0.00 0.00 0.00 23.12 20.02 3m7w s ALA 40 CO 0.76 -0.88 0.76 0.34 0.00 0.00 0.00 175.76 176.73 3m7w s ASP 41 N -1.71 6.48 0.23 0.00 2.15 -1.26 -4.99 116.67 117.57 3m7w s ASP 41 Ca 0.74 -2.10 -0.01 0.00 0.43 0.00 0.00 52.55 51.62 3m7w s ASP 41 Cb -0.26 -2.26 -0.03 0.00 -0.30 0.00 0.00 42.92 40.06 3m7w s ASP 41 CO 0.29 -0.84 0.19 0.72 -0.17 0.00 0.00 175.17 175.36 3m7w s PHE 42 N 1.48 1.20 -0.10 -5.34 -0.12 -1.26 -4.73 117.98 109.11 3m7w s PHE 42 Ca 0.16 -1.38 0.06 0.00 -0.05 0.00 0.00 56.93 55.72 3m7w s PHE 42 Cb -0.17 -0.52 -0.10 0.00 -0.63 0.00 0.00 43.02 41.61 3m7w s PHE 42 CO -0.03 -0.72 -0.02 -0.25 -0.05 0.00 0.00 175.22 174.15 3m7w n ASP 43 N -0.53 2.82 -3.98 1.98 8.00 0.54 -4.97 116.55 120.40 3m7w n ASP 43 Ca 0.03 -0.02 -0.21 0.00 0.71 0.00 0.00 54.79 55.29 3m7w n ASP 43 Cb 0.65 0.40 -0.16 0.00 -0.02 0.00 0.00 41.12 41.99 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 -2.23 0.80 -0.34 0.53 1.01 -0.58 -4.05 121.20 116.34 3m7w s ILE 44 Ca -0.09 -0.33 -0.14 0.00 0.00 0.00 0.00 60.65 60.09 3m7w s ILE 44 Cb 0.03 -0.73 -0.02 0.00 0.01 0.00 0.00 42.46 41.75 3m7w s ILE 44 CO 0.35 0.26 0.29 -0.22 0.00 0.00 0.00 174.94 175.62 3m7w s LEU 45 N 0.43 4.45 -0.22 2.97 2.96 -0.68 -1.99 118.68 126.60 3m7w s LEU 45 Ca -0.07 -0.31 -0.17 0.00 -0.22 0.00 0.00 54.13 53.37 3m7w s LEU 45 Cb -0.11 -2.22 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 3m7w s LEU 45 CO 0.01 -0.26 0.44 -0.70 -1.32 0.00 0.00 176.35 174.52 3m7w s GLU 46 N 1.85 4.14 -0.32 1.98 2.12 0.97 -0.65 118.70 128.79 3m7w s GLU 46 Ca 0.09 0.25 -0.16 0.00 0.36 0.00 0.00 54.97 55.51 3m7w s GLU 46 Cb -0.17 -3.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.63 3m7w s GLU 46 CO 0.11 -0.14 0.41 -0.46 -0.54 0.00 0.00 175.26 174.64 3m7w s TRP 47 N 1.64 3.21 -1.00 5.30 -0.00 0.88 -0.08 118.94 128.90 3m7w s TRP 47 Ca 0.20 0.17 -0.20 0.00 -0.00 0.00 0.00 56.10 56.27 3m7w s TRP 47 Cb -0.15 -2.72 0.10 0.00 -0.00 0.00 0.00 33.47 30.70 3m7w s TRP 47 CO 0.09 -0.40 1.31 1.03 -0.00 0.00 0.00 176.95 178.97 3m7w s ARG 48 N 2.15 3.64 0.49 5.86 1.81 -0.73 -1.38 118.95 130.78 3m7w s ARG 48 Ca 0.15 -1.55 0.16 0.00 -1.72 0.00 0.00 55.73 52.77 3m7w s ARG 48 Cb -0.16 -5.14 1.16 0.00 -0.45 0.00 0.00 34.95 30.36 3m7w s ARG 48 CO 0.12 -1.98 2.07 0.28 -0.68 0.00 0.00 175.30 175.11 3m7w h VAL 49 N 6.16 1.04 0.00 3.52 2.07 -1.17 -2.37 116.25 125.51 3m7w h VAL 49 Ca 0.20 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3m7w h VAL 49 Cb 1.00 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 3m7w h VAL 49 CO 1.26 0.09 0.00 -2.24 0.02 0.00 0.00 177.57 176.71 3m7w h ASP 50 N 0.00 0.00 0.96 0.57 2.03 -1.86 -0.04 116.42 118.08 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 0.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.67 3m7w h ASP 50 CO 0.01 0.00 -0.23 1.41 -1.03 0.00 0.00 179.24 179.40 3m7w n HIS 51 N -2.78 0.30 -2.71 4.15 8.25 -0.89 -4.23 115.22 117.30 3m7w n HIS 51 Ca -0.02 0.09 -0.42 0.00 -0.26 0.00 0.00 57.72 57.11 3m7w n HIS 51 Cb 0.11 -0.56 -0.03 0.00 1.12 0.00 0.00 29.99 30.63 3m7w n HIS 51 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3m7w s PHE 52 N -3.05 3.57 0.28 4.41 5.36 -0.03 -3.83 117.98 124.69 3m7w s PHE 52 Ca 0.11 1.62 0.04 0.00 -0.96 0.00 0.00 56.93 57.74 3m7w s PHE 52 Cb 0.16 -3.15 0.42 0.00 -0.34 0.00 0.00 43.02 40.12 3m7w s PHE 52 CO 0.62 -0.13 1.70 0.00 -1.46 0.00 0.00 175.22 175.95 3m7w h ALA 53 N 6.97 1.09 -0.93 11.12 0.00 -1.12 -3.29 119.26 133.09 3m7w h ALA 53 Ca -0.35 -0.38 -0.69 0.00 0.00 0.00 0.00 54.91 53.49 3m7w h ALA 53 Cb 1.18 -0.10 -0.26 0.00 0.00 0.00 0.00 17.79 18.60 3m7w h ALA 53 CO 0.81 0.57 0.90 0.09 0.00 0.00 0.00 179.25 181.63 3m7w n ASN 54 N -4.07 7.46 -0.02 0.00 3.02 -1.26 -4.73 115.26 115.66 3m7w n ASN 54 Ca -0.01 -3.73 -0.03 0.00 -0.03 0.00 0.00 54.58 50.78 3m7w n ASN 54 Cb 0.45 -1.05 0.21 0.00 -0.61 0.00 0.00 39.78 38.78 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 1.55 1.24 0.00 2.41 -1.51 -1.89 -3.01 116.25 115.04 3m7w h VAL 55 Ca 0.56 -1.09 0.00 0.00 -1.23 0.00 0.00 66.70 64.93 3m7w h VAL 55 Cb 0.44 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 3m7w h VAL 55 CO 1.42 0.36 0.00 0.35 -1.23 0.00 0.00 177.57 178.47 3m7w n THR 56 N -4.18 0.89 -3.33 7.19 -2.24 -1.26 -4.30 114.28 107.05 3m7w n THR 56 Ca 0.01 0.31 -0.46 0.00 -2.27 0.00 0.00 64.05 61.64 3m7w n THR 56 Cb 0.34 -1.24 -0.06 0.00 -2.10 0.00 0.00 70.33 67.28 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 -3.32 5.21 0.22 4.28 2.01 -1.14 -4.96 115.64 117.95 3m7w s THR 57 Ca 0.03 -1.36 -0.08 0.00 0.31 0.00 0.00 61.69 60.59 3m7w s THR 57 Cb 0.09 -4.28 0.19 0.00 0.01 0.00 0.00 72.50 68.51 3m7w s THR 57 CO 0.35 -0.79 1.71 0.00 -0.69 0.00 0.00 174.62 175.20 3m7w h ALA 58 N 8.85 0.83 -0.98 7.40 0.00 -1.85 -1.61 119.26 131.90 3m7w h ALA 58 Ca -0.30 0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.80 3m7w h ALA 58 Cb 1.10 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 3m7w h ALA 58 CO 0.99 -0.29 0.63 1.49 0.00 0.00 0.00 179.25 182.08 3m7w h GLU 59 N 0.30 1.15 -0.54 0.00 4.81 -1.94 -0.63 114.58 117.73 3m7w h GLU 59 Ca 0.36 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.44 3m7w h GLU 59 Cb 0.55 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 3m7w h GLU 59 CO -0.42 0.76 0.01 0.77 -0.73 0.00 0.00 179.01 179.40 3m7w h SER 60 N 1.18 0.89 -0.20 1.04 0.02 -1.61 -1.74 113.55 113.13 3m7w h SER 60 Ca 0.41 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 3m7w h SER 60 Cb 0.11 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 3m7w h SER 60 CO -0.16 0.94 0.05 0.58 -1.14 0.00 0.00 176.83 177.11 3m7w h VAL 61 N 0.85 1.20 -0.14 2.27 2.07 -0.76 -2.67 116.25 119.08 3m7w h VAL 61 Ca 0.16 -0.64 -0.09 0.00 0.82 0.00 0.00 66.70 66.95 3m7w h VAL 61 Cb 0.49 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3m7w h VAL 61 CO 0.02 0.20 -0.30 -0.07 0.02 0.00 0.00 177.57 177.44 3m7w h LEU 62 N 0.14 0.27 -0.93 2.57 3.38 -1.04 -0.79 115.31 118.91 3m7w h LEU 62 Ca 0.06 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3m7w h LEU 62 Cb 0.26 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3m7w h LEU 62 CO -0.00 0.57 0.05 -0.33 0.09 0.00 0.00 178.44 178.82 3m7w h GLU 63 N 0.23 0.84 -0.44 1.13 5.08 -1.24 -0.45 114.58 119.74 3m7w h GLU 63 Ca 0.03 -0.21 -0.12 0.00 -1.00 0.00 0.00 59.36 58.06 3m7w h GLU 63 Cb 0.66 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3m7w h GLU 63 CO 0.05 0.81 -0.20 0.00 -1.00 0.00 0.00 179.01 178.67 3m7w h ALA 64 N 1.26 0.61 -0.66 3.43 0.00 -1.05 -0.27 119.26 122.58 3m7w h ALA 64 Ca 0.16 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.72 3m7w h ALA 64 Cb 0.40 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3m7w h ALA 64 CO 0.01 0.58 0.41 0.00 0.00 0.00 0.00 179.25 180.25 3m7w h ALA 65 N 0.84 0.87 -0.54 0.00 0.00 -0.83 -1.64 119.26 117.95 3m7w h ALA 65 Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3m7w h ALA 65 Cb 0.77 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3m7w h ALA 65 CO 0.06 0.17 0.32 0.78 0.00 0.00 0.00 179.25 180.58 3m7w h GLY 66 N 0.80 0.79 0.82 0.00 0.00 -0.86 -1.20 103.07 103.42 3m7w h GLY 66 Ca 0.27 -0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.31 3m7w h GLY 66 CO -0.11 0.32 0.58 0.00 0.00 0.00 0.00 176.54 177.33 3m7w h ALA 67 N 1.15 1.21 -0.30 3.60 0.00 -0.51 -1.85 119.26 122.57 3m7w h ALA 67 Ca 0.19 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3m7w h ALA 67 Cb -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3m7w h ALA 67 CO -0.04 0.41 -0.04 0.82 0.00 0.00 0.00 179.25 180.41 3m7w h ILE 68 N 1.10 1.27 0.00 0.00 2.04 -0.91 -3.02 117.51 118.00 3m7w h ILE 68 Ca 0.37 -1.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 3m7w h ILE 68 Cb 0.06 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3m7w h ILE 68 CO -0.14 0.33 -0.01 0.03 0.00 0.00 0.00 178.15 178.36 3m7w h ARG 69 N 0.34 0.00 -0.27 2.37 2.47 -0.75 0.24 114.38 118.78 3m7w h ARG 69 Ca 0.08 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 3m7w h ARG 69 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 3m7w h ARG 69 CO 0.02 0.01 0.00 -0.85 0.56 0.00 0.00 179.97 179.71 3m7w n GLU 70 N -3.79 2.24 -0.07 0.04 0.28 -0.74 -3.98 120.64 114.62 3m7w n GLU 70 Ca -0.03 -1.86 -0.14 0.00 -0.16 0.00 0.00 57.16 54.97 3m7w n GLU 70 Cb 0.09 -1.47 -0.05 0.00 1.43 0.00 0.00 31.44 31.44 3m7w n GLU 70 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 3m7w n ILE 71 N 1.10 0.73 -3.33 3.84 5.41 -0.69 -4.86 119.36 121.56 3m7w n ILE 71 Ca 0.18 -0.19 -0.47 0.00 1.00 0.00 0.00 62.75 63.27 3m7w n ILE 71 Cb 0.52 -1.68 -0.02 0.00 -0.71 0.00 0.00 39.64 37.74 3m7w n ILE 71 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3m7w s ILE 72 N -2.24 5.55 -0.32 1.39 -1.09 0.76 -4.87 121.20 120.38 3m7w s ILE 72 Ca -0.19 -2.36 0.22 0.00 -2.23 0.00 0.00 60.65 56.10 3m7w s ILE 72 Cb 0.07 -4.44 -0.15 0.00 -1.58 0.00 0.00 42.46 36.36 3m7w s ILE 72 CO 0.23 -1.01 0.85 0.35 -1.23 0.00 0.00 174.94 174.14 3m7w n THR 73 N 4.12 0.26 0.17 2.92 -2.24 -1.26 -4.46 114.28 113.80 3m7w n THR 73 Ca 0.10 -0.42 0.08 0.00 -2.27 0.00 0.00 64.05 61.55 3m7w n THR 73 Cb 0.46 -0.01 0.15 0.00 -2.10 0.00 0.00 70.33 68.83 3m7w n THR 73 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3m7w n ASP 74 N -2.27 2.91 -4.22 3.42 5.75 -1.26 -5.00 116.55 115.88 3m7w n ASP 74 Ca -0.01 -1.86 -0.23 0.00 -0.01 0.00 0.00 54.79 52.69 3m7w n ASP 74 Cb 0.51 -0.19 -0.13 0.00 -1.03 0.00 0.00 41.12 40.29 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 -1.17 1.11 0.41 0.11 -0.14 -1.26 -5.05 119.74 113.75 3m7w s LYS 75 Ca 0.27 -0.95 -0.26 0.00 -1.36 0.00 0.00 55.97 53.67 3m7w s LYS 75 Cb 0.16 -1.22 -0.09 0.00 -1.68 0.00 0.00 37.83 35.00 3m7w s LYS 75 CO 0.22 0.30 1.38 -2.14 -0.76 0.00 0.00 175.35 174.35 3m7w s PRO 76 N -1.44 3.93 -0.22 -1.68 0.02 -1.26 -4.82 135.00 129.53 3m7w s PRO 76 Ca 0.04 2.34 -0.05 0.00 0.02 0.00 0.00 61.00 63.35 3m7w s PRO 76 Cb -0.09 -2.79 -0.02 0.00 0.02 0.00 0.00 34.50 31.62 3m7w s PRO 76 CO 0.02 -0.59 0.01 -1.17 -0.33 0.00 0.00 177.00 174.94 3m7w s LEU 77 N -2.41 3.21 -0.20 -5.54 2.96 -1.26 -1.68 118.68 113.75 3m7w s LEU 77 Ca 0.57 -0.26 -0.08 0.00 -0.22 0.00 0.00 54.13 54.14 3m7w s LEU 77 Cb -0.42 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 3m7w s LEU 77 CO 0.55 0.01 0.08 -0.22 -1.32 0.00 0.00 176.35 175.45 3m7w s LEU 78 N 1.31 3.77 -0.35 -0.68 2.96 0.18 -1.12 118.68 124.76 3m7w s LEU 78 Ca 0.04 0.02 -0.13 0.00 -0.22 0.00 0.00 54.13 53.84 3m7w s LEU 78 Cb -0.15 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 3m7w s LEU 78 CO 0.01 0.11 0.25 0.12 -1.32 0.00 0.00 176.35 175.53 3m7w s PHE 79 N 0.74 3.23 -0.16 5.38 5.36 -0.01 -0.08 117.98 132.44 3m7w s PHE 79 Ca 0.04 -0.24 -0.01 0.00 -0.96 0.00 0.00 56.93 55.75 3m7w s PHE 79 Cb -0.13 -2.50 0.04 0.00 -0.34 0.00 0.00 43.02 40.09 3m7w s PHE 79 CO 0.02 -0.39 -0.01 0.99 -1.46 0.00 0.00 175.22 174.37 3m7w s THR 80 N 1.73 0.76 -0.42 0.12 2.01 -0.48 -1.25 115.64 118.11 3m7w s THR 80 Ca 0.06 -0.45 -0.15 0.00 0.31 0.00 0.00 61.69 61.47 3m7w s THR 80 Cb -0.18 -1.04 0.04 0.00 0.01 0.00 0.00 72.50 71.33 3m7w s THR 80 CO 0.11 0.04 0.31 0.12 -0.69 0.00 0.00 174.62 174.51 3m7w s PHE 81 N 1.78 3.24 -0.37 4.92 5.36 -1.26 -0.62 117.98 131.03 3m7w s PHE 81 Ca 0.01 -0.73 -0.20 0.00 -0.96 0.00 0.00 56.93 55.05 3m7w s PHE 81 Cb -0.15 -2.73 0.01 0.00 -0.34 0.00 0.00 43.02 39.81 3m7w s PHE 81 CO -0.07 -0.65 0.63 0.50 -1.46 0.00 0.00 175.22 174.17 3m7w s ARG 82 N 1.65 3.63 0.54 10.12 6.06 -1.26 -4.92 118.95 134.77 3m7w s ARG 82 Ca 0.04 -0.00 -0.18 0.00 -2.50 0.00 0.00 55.73 53.09 3m7w s ARG 82 Cb -0.20 -3.83 -0.06 0.00 0.06 0.00 0.00 34.95 30.92 3m7w s ARG 82 CO 0.09 -0.77 1.07 -1.54 -2.50 0.00 0.00 175.30 171.64 3m7w s SER 83 N 1.82 5.95 0.29 -2.12 1.04 -1.26 -3.72 113.70 115.70 3m7w s SER 83 Ca 0.24 1.94 0.04 0.00 0.48 0.00 0.00 55.95 58.65 3m7w s SER 83 Cb -0.14 -2.55 0.70 0.00 0.10 0.00 0.00 66.02 64.12 3m7w s SER 83 CO 0.15 -1.05 1.73 0.00 0.98 0.00 0.00 173.24 175.05 3m7w h ALA 84 N 1.01 1.47 -0.99 5.32 0.00 -1.41 0.26 119.26 124.92 3m7w h ALA 84 Ca -0.49 0.13 0.22 0.00 0.00 0.00 0.00 54.91 54.77 3m7w h ALA 84 Cb 1.23 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.99 3m7w h ALA 84 CO 0.58 -0.23 0.62 -0.22 0.00 0.00 0.00 179.25 180.00 3m7w h LYS 85 N 0.52 0.55 -0.67 0.00 3.64 -1.88 -2.03 116.57 116.71 3m7w h LYS 85 Ca 0.55 -0.03 -0.43 0.00 -1.27 0.00 0.00 60.65 59.47 3m7w h LYS 85 Cb 0.96 -0.12 -0.26 0.00 -0.41 0.00 0.00 32.23 32.40 3m7w h LYS 85 CO -0.46 0.36 0.02 0.39 -2.27 0.00 0.00 179.45 177.49 3m7w n GLU 86 N -4.67 2.54 -0.65 1.90 1.02 0.60 -4.91 120.64 116.46 3m7w n GLU 86 Ca 0.23 -3.46 0.00 0.00 -0.02 0.00 0.00 57.16 53.91 3m7w n GLU 86 Cb 0.70 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 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 -0.97 0.73 3.68 0.62 0.00 -0.76 -4.76 105.19 103.72 3m7w n GLY 87 Ca 0.46 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.42 -1.77 0.09 -0.02 0.00 0.55 -4.92 105.19 96.70 3m7w n GLY 88 Ca 0.00 -1.66 -0.03 0.00 0.00 0.00 0.00 46.02 44.32 3m7w n GLY 88 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3m7w h GLU 89 N 0.00 0.00 -3.72 1.61 4.39 -1.78 -3.36 114.58 111.72 3m7w h GLU 89 Ca -0.41 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.21 3m7w h GLU 89 Cb 1.17 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.71 3m7w h GLU 89 CO 0.29 0.67 -0.19 1.14 -1.16 0.00 0.00 179.01 179.76 3m7w s GLN 90 N -2.80 1.35 0.04 2.33 -2.07 -1.26 -4.87 119.66 112.39 3m7w s GLN 90 Ca 0.00 -1.17 0.06 0.00 -1.82 0.00 0.00 55.36 52.43 3m7w s GLN 90 Cb 0.09 0.43 -0.03 0.00 -1.09 0.00 0.00 33.01 32.41 3m7w s GLN 90 CO 0.80 -0.54 -0.12 0.00 -1.32 0.00 0.00 175.29 174.11 3m7w s ALA 91 N -3.98 2.84 0.13 2.60 0.00 -1.26 -1.47 121.76 120.62 3m7w s ALA 91 Ca 0.19 -1.14 0.04 0.00 0.00 0.00 0.00 51.96 51.05 3m7w s ALA 91 Cb 0.01 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 3m7w s ALA 91 CO 0.04 0.60 -0.10 -0.51 0.00 0.00 0.00 175.76 175.79 3m7w s LEU 92 N -1.60 2.51 0.78 0.00 1.43 -1.26 -5.01 118.68 115.53 3m7w s LEU 92 Ca 0.17 -0.99 -0.11 0.00 -1.03 0.00 0.00 54.13 52.17 3m7w s LEU 92 Cb -0.11 -0.31 0.06 0.00 0.03 0.00 0.00 46.19 45.86 3m7w s LEU 92 CO 0.08 -0.34 1.08 0.42 0.23 0.00 0.00 176.35 177.83 3m7w s THR 93 N -3.25 3.33 0.15 5.49 -4.23 -1.26 -4.80 115.64 111.07 3m7w s THR 93 Ca 0.15 0.43 -0.18 0.00 -1.18 0.00 0.00 61.69 60.91 3m7w s THR 93 Cb 0.02 -3.06 0.03 0.00 1.34 0.00 0.00 72.50 70.84 3m7w s THR 93 CO -0.00 -0.57 1.70 0.74 -0.54 0.00 0.00 174.62 175.95 3m7w h THR 94 N -1.08 0.73 -0.45 3.99 2.02 -1.99 -0.50 112.91 115.63 3m7w h THR 94 Ca -0.46 -0.02 0.06 0.00 0.77 0.00 0.00 66.41 66.77 3m7w h THR 94 Cb 1.24 0.68 -0.05 0.00 -1.74 0.00 0.00 68.15 68.28 3m7w h THR 94 CO 0.56 0.01 0.14 1.23 0.37 0.00 0.00 175.52 177.82 3m7w h GLY 95 N 0.05 0.57 0.99 2.16 0.00 -1.99 -0.92 103.07 103.92 3m7w h GLY 95 Ca 0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 3m7w h GLY 95 CO -0.29 -0.00 0.25 1.46 0.00 0.00 0.00 176.54 177.95 3m7w h GLN 96 N 0.29 0.86 -0.56 4.80 4.20 -1.80 -0.85 115.11 122.06 3m7w h GLN 96 Ca 0.21 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 3m7w h GLN 96 Cb 0.23 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 3m7w h GLN 96 CO -0.24 0.73 0.30 -0.92 -0.67 0.00 0.00 178.83 178.03 3m7w h TYR 97 N 0.80 0.77 -0.37 2.96 3.20 -0.75 0.04 116.97 123.62 3m7w h TYR 97 Ca 0.20 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 3m7w h TYR 97 Cb 0.18 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 3m7w h TYR 97 CO 0.01 0.57 0.07 0.82 -1.64 0.00 0.00 178.16 177.98 3m7w h ILE 98 N 0.75 1.24 -0.26 1.81 1.08 -0.98 -2.31 117.51 118.83 3m7w h ILE 98 Ca 0.20 -0.84 -0.08 0.00 -0.39 0.00 0.00 64.86 63.75 3m7w h ILE 98 Cb 0.05 1.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 3m7w h ILE 98 CO -0.03 0.28 -0.19 0.44 -0.69 0.00 0.00 178.15 177.96 3m7w h ASP 99 N 0.46 0.46 -0.09 1.72 3.32 -0.95 0.03 116.42 121.36 3m7w h ASP 99 Ca 0.11 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 3m7w h ASP 99 Cb 0.35 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 3m7w h ASP 99 CO 0.01 0.66 0.05 0.25 -1.72 0.00 0.00 179.24 178.49 3m7w h LEU 100 N 0.42 0.11 -0.67 1.55 5.85 -0.86 0.12 115.31 121.82 3m7w h LEU 100 Ca 0.07 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 3m7w h LEU 100 Cb 0.58 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 3m7w h LEU 100 CO 0.04 0.13 0.09 0.78 -0.34 0.00 0.00 178.44 179.13 3m7w h ASN 101 N 0.08 1.08 -0.62 1.25 2.35 -1.04 -1.76 115.58 116.91 3m7w h ASN 101 Ca 0.03 -0.27 -0.06 0.00 -0.55 0.00 0.00 56.30 55.45 3m7w h ASN 101 Cb 0.04 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.10 3m7w h ASN 101 CO -0.01 1.07 0.17 0.03 -1.65 0.00 0.00 177.43 177.05 3m7w h ARG 102 N 1.04 1.02 -0.52 0.81 3.08 -0.84 -0.65 114.38 118.32 3m7w h ARG 102 Ca 0.20 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 3m7w h ARG 102 Cb 0.47 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 3m7w h ARG 102 CO 0.02 0.90 0.32 0.00 -1.07 0.00 0.00 179.97 180.13 3m7w h ALA 103 N 1.20 0.66 -0.33 0.04 0.00 -0.70 0.19 119.26 120.32 3m7w h ALA 103 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3m7w h ALA 103 Cb 0.33 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3m7w h ALA 103 CO -0.00 0.14 0.22 0.00 0.00 0.00 0.00 179.25 179.61 3m7w h ALA 104 N 1.16 0.42 -0.08 0.00 0.00 -0.76 -1.77 119.26 118.23 3m7w h ALA 104 Ca 0.19 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3m7w h ALA 104 Cb -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3m7w h ALA 104 CO -0.04 -0.11 -0.03 0.28 0.00 0.00 0.00 179.25 179.35 3m7w h VAL 105 N 0.45 0.89 -0.07 0.00 2.07 -0.84 -2.97 116.25 115.79 3m7w h VAL 105 Ca 0.12 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.60 3m7w h VAL 105 Cb -0.05 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3m7w h VAL 105 CO -0.03 0.00 -0.16 -0.78 0.02 0.00 0.00 177.57 176.62 3m7w h ASP 106 N -0.02 0.09 0.28 0.57 -0.00 -0.79 -3.07 116.42 113.49 3m7w h ASP 106 Ca 0.04 -0.02 -0.02 0.00 -0.00 0.00 0.00 57.03 57.04 3m7w h ASP 106 Cb 0.08 -0.02 -0.00 0.00 -0.00 0.00 0.00 39.33 39.38 3m7w h ASP 106 CO -0.09 0.27 -0.09 0.77 -0.00 0.00 0.00 179.24 180.09 3m7w h SER 107 N 0.10 0.00 0.00 2.28 4.64 -1.15 -3.46 113.55 115.96 3m7w h SER 107 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3m7w h SER 107 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3m7w h SER 107 CO 0.02 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.69 3m7w n GLY 108 N -0.84 0.69 0.02 -0.77 0.00 -1.16 -4.89 105.19 98.25 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 1.04 0.00 0.00 0.00 173.32 174.36 3m7w n LEU 109 N 0.00 0.60 -4.30 0.99 4.77 -1.26 -4.89 117.00 112.90 3m7w n LEU 109 Ca 0.00 0.02 -0.29 0.00 -0.03 0.00 0.00 56.01 55.71 3m7w n LEU 109 Cb 0.03 -0.19 -0.15 0.00 -2.33 0.00 0.00 43.42 40.78 3m7w n LEU 109 CO 0.00 0.08 -0.56 0.68 -1.33 0.00 0.00 177.39 176.26 3m7w s VAL 110 N -3.08 1.96 -0.18 4.08 -7.23 -1.26 -4.87 120.40 109.82 3m7w s VAL 110 Ca 0.08 -1.18 0.19 0.00 -1.81 0.00 0.00 61.98 59.26 3m7w s VAL 110 Cb 0.16 -1.65 -0.05 0.00 0.56 0.00 0.00 36.38 35.40 3m7w s VAL 110 CO 0.73 0.44 0.99 0.44 -0.31 0.00 0.00 175.10 177.39 3m7w h ASP 111 N 5.19 0.00 -5.06 4.85 3.32 -1.47 -3.47 116.42 119.78 3m7w h ASP 111 Ca -0.43 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.54 3m7w h ASP 111 Cb 1.14 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.53 3m7w h ASP 111 CO 0.46 0.33 -0.18 -0.04 -1.72 0.00 0.00 179.24 178.09 3m7w s MET 112 N -3.11 0.90 0.14 3.56 -1.94 -0.81 -2.26 119.30 115.79 3m7w s MET 112 Ca -0.01 -0.53 0.06 0.00 -1.71 0.00 0.00 55.69 53.49 3m7w s MET 112 Cb 0.09 0.39 -0.04 0.00 2.01 0.00 0.00 34.83 37.28 3m7w s MET 112 CO 0.79 -0.31 -0.12 0.96 -0.01 0.00 0.00 175.02 176.33 3m7w s ILE 113 N -2.88 1.32 -0.17 2.53 -4.36 -0.12 -0.83 121.20 116.70 3m7w s ILE 113 Ca -0.03 -1.92 -0.04 0.00 -0.26 0.00 0.00 60.65 58.40 3m7w s ILE 113 Cb 0.00 -1.72 -0.03 0.00 1.25 0.00 0.00 42.46 41.96 3m7w s ILE 113 CO -0.05 -0.57 -0.02 -0.62 0.24 0.00 0.00 174.94 173.92 3m7w s ASP 114 N -2.85 4.89 -0.11 4.36 -1.08 -0.38 -0.95 116.67 120.55 3m7w s ASP 114 Ca 0.14 -0.13 0.02 0.00 -0.52 0.00 0.00 52.55 52.06 3m7w s ASP 114 Cb -0.01 -1.81 0.01 0.00 -1.46 0.00 0.00 42.92 39.64 3m7w s ASP 114 CO 0.03 0.14 -0.18 -0.76 0.52 0.00 0.00 175.17 174.91 3m7w s LEU 115 N 0.57 1.86 0.04 -1.34 1.43 0.09 -4.66 118.68 116.67 3m7w s LEU 115 Ca -0.02 -0.48 -0.30 0.00 -1.03 0.00 0.00 54.13 52.30 3m7w s LEU 115 Cb -0.14 -1.21 -0.05 0.00 0.03 0.00 0.00 46.19 44.82 3m7w s LEU 115 CO 0.02 0.05 1.24 -1.61 0.23 0.00 0.00 176.35 176.28 3m7w s GLU 116 N 0.85 4.39 0.24 1.70 2.02 -1.26 -0.91 118.70 125.73 3m7w s GLU 116 Ca -0.09 1.80 -0.07 0.00 0.02 0.00 0.00 54.97 56.63 3m7w s GLU 116 Cb -0.15 -3.40 0.41 0.00 0.10 0.00 0.00 34.13 31.09 3m7w s GLU 116 CO -0.00 -0.34 1.66 1.25 0.02 0.00 0.00 175.26 177.85 3m7w h LEU 117 N 7.20 -0.21 -2.36 1.80 5.85 -0.64 -2.47 115.31 124.48 3m7w h LEU 117 Ca -0.40 0.17 -0.10 0.00 0.84 0.00 0.00 57.88 58.39 3m7w h LEU 117 Cb 1.20 0.28 -0.06 0.00 0.37 0.00 0.00 40.66 42.45 3m7w h LEU 117 CO 0.84 -0.12 0.12 0.49 -0.34 0.00 0.00 178.44 179.43 3m7w n PHE 118 N -5.27 0.98 0.04 1.25 3.72 -1.26 -4.27 117.46 112.66 3m7w n PHE 118 Ca 0.13 -0.63 -0.07 0.00 -0.05 0.00 0.00 57.45 56.82 3m7w n PHE 118 Cb 0.44 -0.38 0.10 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 0.98 1.34 0.00 4.37 2.02 -1.84 -3.48 112.91 116.30 3m7w h THR 119 Ca 0.12 -1.82 0.00 0.00 0.77 0.00 0.00 66.41 65.48 3m7w h THR 119 Cb 1.38 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.62 3m7w h THR 119 CO 0.30 0.55 0.00 0.61 0.37 0.00 0.00 175.52 177.36 3m7w n GLY 120 N 0.20 3.63 0.34 2.16 0.00 -1.26 -4.95 105.19 105.31 3m7w n GLY 120 Ca -0.03 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.94 -0.76 1.61 5.19 -1.93 0.66 116.42 120.25 3m7w h ASP 121 Ca 0.00 0.12 0.06 0.00 -0.62 0.00 0.00 57.03 56.59 3m7w h ASP 121 Cb 0.00 0.37 -0.06 0.00 0.18 0.00 0.00 39.33 39.82 3m7w h ASP 121 CO 0.00 -0.39 0.44 0.44 -3.12 0.00 0.00 179.24 176.61 3m7w h ASP 122 N -0.50 0.67 -0.13 6.45 3.32 -1.99 0.17 116.42 124.41 3m7w h ASP 122 Ca 0.05 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3m7w h ASP 122 Cb 0.56 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 3m7w h ASP 122 CO -0.24 0.42 0.07 -0.33 -1.72 0.00 0.00 179.24 177.44 3m7w h GLU 123 N 0.80 0.19 0.04 3.56 3.07 -1.82 -1.67 114.58 118.74 3m7w h GLU 123 Ca 0.34 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.17 3m7w h GLU 123 Cb 0.21 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 3m7w h GLU 123 CO -0.19 0.21 -0.02 0.28 -1.40 0.00 0.00 179.01 177.89 3m7w h VAL 124 N 0.11 1.00 -0.50 3.13 2.07 -0.40 -2.19 116.25 119.47 3m7w h VAL 124 Ca 0.05 -0.14 0.08 0.00 0.82 0.00 0.00 66.70 67.50 3m7w h VAL 124 Cb 0.08 1.10 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 3m7w h VAL 124 CO -0.01 0.04 0.13 0.11 0.02 0.00 0.00 177.57 177.86 3m7w h LYS 125 N -0.12 0.27 -0.67 1.57 1.57 -0.92 0.14 116.57 118.42 3m7w h LYS 125 Ca -0.01 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 3m7w h LYS 125 Cb 0.10 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3m7w h LYS 125 CO 0.01 0.18 0.18 0.00 -0.57 0.00 0.00 179.45 179.25 3m7w h ALA 126 N 1.37 1.05 -0.04 3.86 0.00 -1.20 -1.97 119.26 122.32 3m7w h ALA 126 Ca 0.25 -0.23 -0.23 0.00 0.00 0.00 0.00 54.91 54.70 3m7w h ALA 126 Cb 0.31 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.84 3m7w h ALA 126 CO -0.30 0.63 -0.89 1.15 0.00 0.00 0.00 179.25 179.84 3m7w h THR 127 N 1.01 1.35 -0.04 0.00 2.02 -0.80 -1.22 112.91 115.23 3m7w h THR 127 Ca 0.22 -2.26 0.02 0.00 0.77 0.00 0.00 66.41 65.16 3m7w h THR 127 Cb 0.33 2.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.98 3m7w h THR 127 CO -0.00 0.69 -0.11 0.58 0.37 0.00 0.00 175.52 177.04 3m7w h VAL 128 N 0.33 0.70 -0.49 3.16 2.07 -0.66 0.79 116.25 122.15 3m7w h VAL 128 Ca -0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.53 3m7w h VAL 128 Cb 1.52 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 31.92 3m7w h VAL 128 CO 0.16 0.00 0.07 1.23 0.02 0.00 0.00 177.57 179.05 3m7w h GLY 129 N -0.17 0.57 0.95 2.17 0.00 -1.21 0.87 103.07 106.25 3m7w h GLY 129 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 3m7w h GLY 129 CO -0.14 -0.09 0.17 -1.82 0.00 0.00 0.00 176.54 174.65 3m7w h TYR 130 N 0.20 0.50 0.02 5.60 3.20 -0.83 -0.35 116.97 125.31 3m7w h TYR 130 Ca 0.25 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.11 3m7w h TYR 130 Cb 0.35 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 3m7w h TYR 130 CO -0.25 0.43 -0.15 0.00 -1.64 0.00 0.00 178.16 176.56 3m7w h ALA 131 N 1.02 -0.19 -0.95 1.82 0.00 -0.29 -2.62 119.26 118.05 3m7w h ALA 131 Ca 0.12 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3m7w h ALA 131 Cb 0.12 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 3m7w h ALA 131 CO -0.02 -0.65 0.63 0.45 0.00 0.00 0.00 179.25 179.66 3m7w h HIS 132 N -0.26 1.16 -0.20 0.00 3.86 -0.48 -0.63 115.15 118.61 3m7w h HIS 132 Ca 0.04 0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.34 3m7w h HIS 132 Cb 0.31 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 3m7w h HIS 132 CO -0.19 0.66 0.14 1.96 0.86 0.00 0.00 177.93 181.37 3m7w h GLN 133 N 1.19 0.00 -0.71 2.45 4.20 -0.71 -1.08 115.11 120.46 3m7w h GLN 133 Ca 0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.09 3m7w h GLN 133 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3m7w h GLN 133 CO -0.12 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 178.76 3m7w n HIS 134 N -4.44 1.20 -3.47 2.96 8.25 -0.42 -4.95 115.22 114.34 3m7w n HIS 134 Ca 0.02 -0.54 -0.21 0.00 -0.26 0.00 0.00 57.72 56.73 3m7w n HIS 134 Cb 0.28 -0.10 0.07 0.00 1.12 0.00 0.00 29.99 31.36 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 1.45 -5.90 -4.36 0.41 5.15 -0.41 -5.01 115.26 106.59 3m7w n ASN 135 Ca 0.25 -0.48 -0.34 0.00 -0.60 0.00 0.00 54.58 53.42 3m7w n ASN 135 Cb 0.73 -4.52 -0.14 0.00 -0.53 0.00 0.00 39.78 35.33 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 -3.28 3.23 0.46 3.44 1.01 -0.38 -4.97 120.40 119.91 3m7w s VAL 136 Ca 0.52 -0.58 -0.21 0.00 0.00 0.00 0.00 61.98 61.72 3m7w s VAL 136 Cb -0.23 -2.40 -0.09 0.00 0.00 0.00 0.00 36.38 33.66 3m7w s VAL 136 CO 0.64 0.49 1.01 0.00 0.00 0.00 0.00 175.10 177.25 3m7w s ALA 137 N 0.74 2.94 -0.18 5.51 0.00 -0.96 -3.65 121.76 126.17 3m7w s ALA 137 Ca -0.04 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.48 3m7w s ALA 137 Cb -0.15 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.76 3m7w s ALA 137 CO 0.02 -0.17 -0.17 0.08 0.00 0.00 0.00 175.76 175.52 3m7w s VAL 138 N -2.01 2.40 -0.26 0.00 1.01 -1.26 -0.94 120.40 119.33 3m7w s VAL 138 Ca 0.65 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 61.64 3m7w s VAL 138 Cb -0.15 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 3m7w s VAL 138 CO 0.18 0.52 0.38 -0.63 0.00 0.00 0.00 175.10 175.55 3m7w s ILE 139 N 1.16 5.17 -0.18 2.22 1.01 -0.12 -0.90 121.20 129.55 3m7w s ILE 139 Ca 0.01 0.60 -0.08 0.00 0.00 0.00 0.00 60.65 61.19 3m7w s ILE 139 Cb -0.14 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 3m7w s ILE 139 CO -0.07 0.17 0.08 -0.32 0.00 0.00 0.00 174.94 174.80 3m7w s MET 140 N 1.99 3.95 0.22 2.79 1.75 -0.65 -0.73 119.30 128.62 3m7w s MET 140 Ca 0.16 -0.30 0.05 0.00 -1.25 0.00 0.00 55.69 54.34 3m7w s MET 140 Cb -0.16 -3.25 -0.05 0.00 2.84 0.00 0.00 34.83 34.22 3m7w s MET 140 CO 0.10 0.34 -0.04 -1.54 -0.65 0.00 0.00 175.02 173.22 3m7w s SER 141 N 0.21 2.08 -0.17 1.11 1.04 -0.08 -0.08 113.70 117.81 3m7w s SER 141 Ca 0.06 -1.16 -0.12 0.00 0.48 0.00 0.00 55.95 55.20 3m7w s SER 141 Cb -0.12 -0.04 0.05 0.00 0.10 0.00 0.00 66.02 66.01 3m7w s SER 141 CO -0.00 -0.42 0.42 0.21 0.98 0.00 0.00 173.24 174.43 3m7w s ASN 142 N -3.31 -0.49 -0.01 7.02 3.84 -0.73 0.14 114.94 121.40 3m7w s ASN 142 Ca 0.26 0.88 0.04 0.00 0.21 0.00 0.00 52.86 54.25 3m7w s ASN 142 Cb 0.04 0.82 -0.01 0.00 -0.55 0.00 0.00 41.25 41.55 3m7w s ASN 142 CO 0.08 -0.17 -0.13 -1.00 -2.79 0.00 0.00 177.10 173.09 3m7w s HIS 143 N 0.86 1.13 -0.23 0.43 3.76 -1.26 -1.53 115.29 118.46 3m7w s HIS 143 Ca -0.05 -0.22 -0.01 0.00 -0.15 0.00 0.00 55.06 54.63 3m7w s HIS 143 Cb -0.06 -0.73 0.07 0.00 1.11 0.00 0.00 32.58 32.97 3m7w s HIS 143 CO -0.07 -0.02 0.02 0.34 -0.85 0.00 0.00 174.74 174.16 3m7w s ASP 144 N -0.28 3.38 0.00 1.40 -1.08 -0.21 -4.88 116.67 115.00 3m7w s ASP 144 Ca 0.04 -1.07 0.23 0.00 -0.52 0.00 0.00 52.55 51.23 3m7w s ASP 144 Cb -0.05 -0.81 0.92 0.00 -1.46 0.00 0.00 42.92 41.52 3m7w s ASP 144 CO -0.00 -0.31 1.65 0.49 0.52 0.00 0.00 175.17 177.52 3m7w n PHE 145 N 4.91 0.12 -0.02 -5.34 3.72 -1.26 -1.33 117.46 118.26 3m7w n PHE 145 Ca -0.08 -0.06 -0.03 0.00 -0.05 0.00 0.00 57.45 57.23 3m7w n PHE 145 Cb 0.45 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.97 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 0.10 0.00 -4.14 1.38 8.25 -1.26 -4.79 115.22 114.75 3m7w n HIS 146 Ca 0.17 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.47 3m7w n HIS 146 Cb 0.30 -0.19 -0.06 0.00 1.12 0.00 0.00 29.99 31.16 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 -2.09 1.81 -0.29 -0.41 -2.85 -1.25 -4.82 119.74 109.83 3m7w s LYS 147 Ca -0.04 -1.80 0.00 0.00 -1.00 0.00 0.00 55.97 53.13 3m7w s LYS 147 Cb 0.01 0.40 0.06 0.00 -2.06 0.00 0.00 37.83 36.24 3m7w s LYS 147 CO 0.13 -0.72 -0.03 0.99 0.10 0.00 0.00 175.35 175.82 3m7w s THR 148 N -3.26 2.69 1.23 3.79 2.01 -0.91 -2.51 115.64 118.67 3m7w s THR 148 Ca 0.33 -1.54 -0.16 0.00 0.31 0.00 0.00 61.69 60.64 3m7w s THR 148 Cb 0.01 -2.59 0.30 0.00 0.01 0.00 0.00 72.50 70.23 3m7w s THR 148 CO 0.21 -0.12 1.01 -2.84 -0.69 0.00 0.00 174.62 172.19 3m7w s PRO 149 N 1.18 -1.40 0.38 4.92 0.02 -1.26 -4.93 135.00 133.92 3m7w s PRO 149 Ca -0.05 0.54 -0.28 0.00 0.02 0.00 0.00 61.00 61.23 3m7w s PRO 149 Cb -0.20 -1.52 -0.11 0.00 0.02 0.00 0.00 34.50 32.69 3m7w s PRO 149 CO -0.03 -3.96 1.46 0.00 -0.33 0.00 0.00 177.00 174.13 3m7w n ALA 150 N -5.04 2.20 -0.33 -1.55 0.00 -1.26 -4.79 120.51 109.73 3m7w n ALA 150 Ca 0.06 0.34 0.22 0.00 0.00 0.00 0.00 53.44 54.05 3m7w n ALA 150 Cb 0.56 -2.39 0.44 0.00 0.00 0.00 0.00 19.45 18.06 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 2.84 1.82 -0.17 0.00 0.00 -1.92 0.11 119.26 121.95 3m7w h ALA 151 Ca -0.50 0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 3m7w h ALA 151 Cb 1.25 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 3m7w h ALA 151 CO 0.63 -0.53 -0.29 1.49 0.00 0.00 0.00 179.25 180.55 3m7w h GLU 152 N 0.32 0.32 -0.40 0.00 4.57 -1.95 -1.54 114.58 115.91 3m7w h GLU 152 Ca 0.70 -0.12 -0.09 0.00 -1.18 0.00 0.00 59.36 58.67 3m7w h GLU 152 Cb 1.55 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.11 3m7w h GLU 152 CO -0.61 0.59 -0.09 1.49 -1.18 0.00 0.00 179.01 179.21 3m7w h GLU 153 N 0.28 0.76 -0.27 1.92 4.57 -1.15 -1.34 114.58 119.35 3m7w h GLU 153 Ca 0.04 -0.29 0.02 0.00 -1.18 0.00 0.00 59.36 57.95 3m7w h GLU 153 Cb 0.67 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.19 3m7w h GLU 153 CO 0.05 0.89 0.13 0.82 -1.18 0.00 0.00 179.01 179.72 3m7w h ILE 154 N 0.57 0.99 -0.40 2.32 2.04 -1.14 -1.06 117.51 120.83 3m7w h ILE 154 Ca 0.10 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3m7w h ILE 154 Cb 0.61 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 3m7w h ILE 154 CO 0.04 0.05 0.23 0.58 0.00 0.00 0.00 178.15 179.05 3m7w h VAL 155 N 0.28 1.13 -0.08 1.67 2.07 -1.19 -1.59 116.25 118.55 3m7w h VAL 155 Ca 0.11 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 3m7w h VAL 155 Cb 0.03 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3m7w h VAL 155 CO -0.08 0.14 -0.23 1.56 0.02 0.00 0.00 177.57 178.98 3m7w h GLN 156 N 0.52 0.13 -0.15 1.57 1.08 -0.96 0.13 115.11 117.42 3m7w h GLN 156 Ca 0.14 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.24 3m7w h GLN 156 Cb 0.02 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3m7w h GLN 156 CO -0.03 0.36 -0.15 0.00 -0.95 0.00 0.00 178.83 178.06 3m7w h ARG 157 N 0.12 0.37 -0.61 1.46 3.08 -0.82 -1.13 114.38 116.85 3m7w h ARG 157 Ca 0.02 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.88 3m7w h ARG 157 Cb 0.47 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 3m7w h ARG 157 CO 0.03 0.75 0.39 -0.07 -1.07 0.00 0.00 179.97 180.00 3m7w h LEU 158 N 0.00 0.71 -0.67 3.04 3.38 -0.94 -1.79 115.31 119.05 3m7w h LEU 158 Ca 0.02 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.99 3m7w h LEU 158 Cb 0.68 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 3m7w h LEU 158 CO 0.04 0.53 0.42 -0.09 0.09 0.00 0.00 178.44 179.42 3m7w h ARG 159 N 0.83 0.80 -0.71 1.13 2.43 -0.66 -2.24 114.38 115.95 3m7w h ARG 159 Ca 0.22 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3m7w h ARG 159 Cb -0.07 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.26 3m7w h ARG 159 CO -0.05 0.53 0.40 -0.22 -1.51 0.00 0.00 179.97 179.12 3m7w h LYS 160 N 0.82 0.98 -0.95 0.20 3.64 -0.83 -1.65 116.57 118.78 3m7w h LYS 160 Ca 0.27 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3m7w h LYS 160 Cb 0.01 -0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 31.58 3m7w h LYS 160 CO -0.10 0.72 0.58 0.52 -2.27 0.00 0.00 179.45 178.90 3m7w h MET 161 N 0.99 1.28 -0.37 1.90 2.86 -0.74 0.29 114.93 121.14 3m7w h MET 161 Ca 0.25 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.74 3m7w h MET 161 Cb 0.02 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.39 3m7w h MET 161 CO -0.04 0.88 0.04 1.96 1.06 0.00 0.00 176.91 180.81 3m7w h GLN 162 N 1.30 0.63 -0.55 1.72 4.20 -0.99 -1.32 115.11 120.09 3m7w h GLN 162 Ca 0.34 -0.18 0.03 0.00 0.06 0.00 0.00 58.65 58.90 3m7w h GLN 162 Cb -0.08 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 3m7w h GLN 162 CO -0.07 0.70 0.37 0.93 -0.67 0.00 0.00 178.83 180.09 3m7w h GLU 163 N 0.46 0.64 -0.06 1.46 5.08 -0.67 -1.12 114.58 120.36 3m7w h GLU 163 Ca 0.11 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3m7w h GLU 163 Cb 0.39 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3m7w h GLU 163 CO 0.01 0.42 0.00 1.28 -1.00 0.00 0.00 179.01 179.72 3m7w n LEU 164 N -4.47 0.58 0.00 1.33 4.77 0.03 -4.92 117.00 114.32 3m7w n LEU 164 Ca 0.06 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 3m7w n LEU 164 Cb 0.13 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3m7w n LEU 164 CO 0.35 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3m7w n GLY 165 N 0.88 0.69 3.67 -0.72 0.00 -0.42 -4.68 105.19 104.61 3m7w n GLY 165 Ca 0.13 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.25 0.92 0.13 4.61 0.00 -0.52 -4.90 120.51 120.50 3m7w n ALA 166 Ca 0.00 0.37 -0.23 0.00 0.00 0.00 0.00 53.44 53.58 3m7w n ALA 166 Cb 0.00 -2.20 -0.15 0.00 0.00 0.00 0.00 19.45 17.10 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 2.47 0.83 -3.03 0.00 3.32 -1.36 -3.44 116.42 115.22 3m7w h ASP 167 Ca -0.44 -0.85 -0.54 0.00 0.02 0.00 0.00 57.03 55.21 3m7w h ASP 167 Cb 1.30 -0.27 -0.40 0.00 0.22 0.00 0.00 39.33 40.18 3m7w h ASP 167 CO 0.63 1.66 -0.77 -0.63 -1.72 0.00 0.00 179.24 178.41 3m7w s ILE 168 N -2.72 0.37 0.43 0.35 1.01 -0.75 -4.28 121.20 115.61 3m7w s ILE 168 Ca -0.09 -0.90 -0.25 0.00 0.00 0.00 0.00 60.65 59.41 3m7w s ILE 168 Cb 0.05 -1.20 -0.08 0.00 0.01 0.00 0.00 42.46 41.24 3m7w s ILE 168 CO 0.94 -0.58 1.27 -2.84 0.00 0.00 0.00 174.94 173.74 3m7w s PRO 169 N 1.89 3.85 -0.03 2.79 0.02 -1.24 -1.64 135.00 140.64 3m7w s PRO 169 Ca 0.07 2.07 -0.02 0.00 0.02 0.00 0.00 61.00 63.14 3m7w s PRO 169 Cb -0.17 -2.64 0.02 0.00 0.02 0.00 0.00 34.50 31.73 3m7w s PRO 169 CO -0.25 -0.56 0.07 0.21 -0.33 0.00 0.00 177.00 176.14 3m7w s LYS 170 N -2.39 0.05 -0.02 5.54 2.20 0.89 -0.40 119.74 125.61 3m7w s LYS 170 Ca 0.60 0.18 -0.01 0.00 -0.36 0.00 0.00 55.97 56.37 3m7w s LYS 170 Cb -0.36 -0.08 0.02 0.00 -1.51 0.00 0.00 37.83 35.90 3m7w s LYS 170 CO 0.45 -0.08 0.05 -1.50 -0.36 0.00 0.00 175.35 173.91 3m7w s ILE 171 N 0.54 -0.03 -0.08 5.43 2.07 -0.33 -1.77 121.20 127.03 3m7w s ILE 171 Ca -0.04 0.10 0.02 0.00 -1.41 0.00 0.00 60.65 59.31 3m7w s ILE 171 Cb -0.06 -0.09 0.02 0.00 0.13 0.00 0.00 42.46 42.45 3m7w s ILE 171 CO -0.02 0.04 -0.11 0.00 -1.91 0.00 0.00 174.94 172.94 3m7w s ALA 172 N 0.52 1.28 0.13 1.50 0.00 -0.58 -1.53 121.76 123.09 3m7w s ALA 172 Ca -0.04 -0.45 0.04 0.00 0.00 0.00 0.00 51.96 51.51 3m7w s ALA 172 Cb -0.06 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 3m7w s ALA 172 CO -0.02 -0.01 -0.10 0.14 0.00 0.00 0.00 175.76 175.77 3m7w s VAL 173 N 0.91 1.10 -0.21 0.00 -7.23 -0.67 -1.05 120.40 113.26 3m7w s VAL 173 Ca -0.10 -1.98 -0.06 0.00 -1.81 0.00 0.00 61.98 58.02 3m7w s VAL 173 Cb -0.15 -1.76 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 3m7w s VAL 173 CO 0.01 -0.72 0.04 -0.32 -0.31 0.00 0.00 175.10 173.79 3m7w s MET 174 N -3.60 3.73 0.14 4.82 1.75 -0.44 -0.80 119.30 124.89 3m7w s MET 174 Ca 0.14 -0.46 -0.18 0.00 -1.25 0.00 0.00 55.69 53.95 3m7w s MET 174 Cb 0.02 -3.19 -0.07 0.00 2.84 0.00 0.00 34.83 34.42 3m7w s MET 174 CO 0.00 0.03 0.61 -1.25 -0.65 0.00 0.00 175.02 173.75 3m7w s PRO 175 N 1.01 4.15 -0.11 4.11 0.04 -1.26 -2.14 135.00 140.80 3m7w s PRO 175 Ca 0.03 0.70 0.15 0.00 0.04 0.00 0.00 61.00 61.92 3m7w s PRO 175 Cb -0.14 -3.04 -0.22 0.00 0.04 0.00 0.00 34.50 31.13 3m7w s PRO 175 CO 0.02 0.52 0.17 1.04 0.04 0.00 0.00 177.00 178.79 3m7w n GLN 176 N 1.15 1.10 -4.47 4.56 6.02 -1.26 -5.00 117.38 119.48 3m7w n GLN 176 Ca -0.06 -0.06 -0.22 0.00 -0.01 0.00 0.00 57.00 56.64 3m7w n GLN 176 Cb 0.51 -1.40 -0.11 0.00 1.02 0.00 0.00 30.24 30.26 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 -2.67 1.53 0.30 5.09 -4.23 -1.26 -5.04 115.64 109.36 3m7w s THR 177 Ca -0.07 -2.06 0.01 0.00 -1.18 0.00 0.00 61.69 58.39 3m7w s THR 177 Cb 0.07 -2.68 0.16 0.00 1.34 0.00 0.00 72.50 71.39 3m7w s THR 177 CO 0.67 -0.13 1.85 0.11 -0.54 0.00 0.00 174.62 176.58 3m7w h LYS 178 N 2.13 0.74 -0.23 3.99 1.57 -1.95 -2.66 116.57 120.15 3m7w h LYS 178 Ca -0.41 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.20 3m7w h LYS 178 Cb 1.24 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 3m7w h LYS 178 CO 0.70 0.68 0.04 0.00 -0.57 0.00 0.00 179.45 180.30 3m7w h ALA 179 N 1.41 1.64 -0.44 3.86 0.00 -2.00 -1.34 119.26 122.39 3m7w h ALA 179 Ca 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3m7w h ALA 179 Cb 0.27 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3m7w h ALA 179 CO -0.00 0.28 0.18 -0.44 0.00 0.00 0.00 179.25 179.27 3m7w h ASP 180 N 0.33 0.55 -0.28 0.00 3.32 -1.88 -0.31 116.42 118.14 3m7w h ASP 180 Ca 0.08 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3m7w h ASP 180 Cb 0.17 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3m7w h ASP 180 CO -0.00 0.50 0.12 0.58 -1.72 0.00 0.00 179.24 178.72 3m7w h VAL 181 N 0.61 1.16 -0.49 -1.35 2.07 -1.29 -2.02 116.25 114.95 3m7w h VAL 181 Ca 0.15 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 3m7w h VAL 181 Cb 0.11 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3m7w h VAL 181 CO -0.02 0.17 0.15 -0.07 0.02 0.00 0.00 177.57 177.82 3m7w h LEU 182 N 0.31 0.66 -0.66 2.57 3.38 -1.32 -2.27 115.31 117.99 3m7w h LEU 182 Ca 0.10 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3m7w h LEU 182 Cb 0.15 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3m7w h LEU 182 CO -0.01 0.63 0.33 0.74 0.09 0.00 0.00 178.44 180.22 3m7w h THR 183 N 0.71 1.22 -0.46 0.22 2.02 -0.68 0.08 112.91 116.02 3m7w h THR 183 Ca 0.16 -0.60 -0.00 0.00 0.77 0.00 0.00 66.41 66.74 3m7w h THR 183 Cb 0.22 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 3m7w h THR 183 CO -0.01 0.25 0.28 0.25 0.37 0.00 0.00 175.52 176.66 3m7w h LEU 184 N 0.91 0.55 -1.10 2.58 7.12 -0.96 -0.90 115.31 123.50 3m7w h LEU 184 Ca 0.23 -0.05 -0.06 0.00 0.13 0.00 0.00 57.88 58.13 3m7w h LEU 184 Cb 0.10 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 40.07 3m7w h LEU 184 CO -0.03 0.44 0.02 -0.07 -0.13 0.00 0.00 178.44 178.67 3m7w h LEU 185 N 0.61 0.62 -0.32 2.25 3.38 -1.12 -1.43 115.31 119.29 3m7w h LEU 185 Ca 0.16 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3m7w h LEU 185 Cb -0.01 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3m7w h LEU 185 CO -0.03 0.67 0.12 0.74 0.09 0.00 0.00 178.44 180.03 3m7w h THR 186 N 0.63 1.19 -0.69 0.22 2.02 -0.59 -1.81 112.91 113.87 3m7w h THR 186 Ca 0.13 -0.58 0.07 0.00 0.77 0.00 0.00 66.41 66.80 3m7w h THR 186 Cb 0.36 0.97 -0.06 0.00 -1.74 0.00 0.00 68.15 67.68 3m7w h THR 186 CO 0.01 0.20 0.38 0.00 0.37 0.00 0.00 175.52 176.48 3m7w h ALA 187 N 0.96 0.94 -0.30 6.16 0.00 -0.79 -0.04 119.26 126.19 3m7w h ALA 187 Ca 0.11 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3m7w h ALA 187 Cb 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3m7w h ALA 187 CO -0.01 0.04 0.20 1.15 0.00 0.00 0.00 179.25 180.63 3m7w h THR 188 N 0.68 1.08 -0.30 0.00 2.02 -1.05 -0.78 112.91 114.57 3m7w h THR 188 Ca 0.32 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 3m7w h THR 188 Cb 0.24 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3m7w h THR 188 CO -0.21 0.08 0.13 0.58 0.37 0.00 0.00 175.52 176.47 3m7w h VAL 189 N 0.40 1.16 -0.59 3.16 2.07 -0.75 -1.64 116.25 120.08 3m7w h VAL 189 Ca 0.11 -0.48 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 3m7w h VAL 189 Cb -0.04 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3m7w h VAL 189 CO -0.02 0.17 0.17 -0.33 0.02 0.00 0.00 177.57 177.58 3m7w h GLU 190 N 0.34 0.92 -0.13 1.57 5.08 -0.88 -1.77 114.58 119.71 3m7w h GLU 190 Ca 0.10 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3m7w h GLU 190 Cb 0.14 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3m7w h GLU 190 CO -0.01 0.83 0.08 1.98 -1.00 0.00 0.00 179.01 180.89 3m7w h MET 191 N 0.84 0.17 -0.35 2.33 4.05 -1.06 0.16 114.93 121.07 3m7w h MET 191 Ca 0.19 -0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.66 3m7w h MET 191 Cb 0.30 -0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 31.01 3m7w h MET 191 CO -0.00 0.16 -0.03 1.96 0.23 0.00 0.00 176.91 179.23 3m7w h GLN 192 N 0.14 0.06 0.12 0.39 1.08 -1.00 -0.06 115.11 115.84 3m7w h GLN 192 Ca 0.05 -0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.97 3m7w h GLN 192 Cb 0.04 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 3m7w h GLN 192 CO -0.01 0.04 -1.23 0.93 -0.95 0.00 0.00 178.83 177.62 3m7w h GLU 193 N 0.07 0.28 0.10 1.46 5.08 -1.19 -3.32 114.58 117.05 3m7w h GLU 193 Ca 0.17 -0.46 -0.31 0.00 -1.00 0.00 0.00 59.36 57.76 3m7w h GLU 193 Cb 0.24 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3m7w h GLU 193 CO -0.31 1.22 -1.62 0.00 -1.00 0.00 0.00 179.01 177.30 3m7w h ARG 194 N 0.08 0.21 0.00 2.33 3.08 -0.63 -3.45 114.38 116.00 3m7w h ARG 194 Ca -0.13 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3m7w h ARG 194 Cb 1.95 0.13 0.00 0.00 0.08 0.00 0.00 29.97 32.14 3m7w h ARG 194 CO 0.20 1.03 -0.20 0.66 -1.07 0.00 0.00 179.97 180.60 3m7w n TYR 195 N -3.39 0.00 -1.68 3.04 4.01 -0.20 -5.06 117.16 113.88 3m7w n TYR 195 Ca -0.19 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.09 3m7w n TYR 195 Cb 1.04 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 40.03 3m7w n TYR 195 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3m7w n ALA 196 N -0.82 1.39 -1.89 -0.72 0.00 -0.23 -4.86 120.51 113.37 3m7w n ALA 196 Ca 0.00 0.40 0.05 0.00 0.00 0.00 0.00 53.44 53.89 3m7w n ALA 196 Cb 0.10 -2.41 0.09 0.00 0.00 0.00 0.00 19.45 17.23 3m7w n ALA 196 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3m7w n ASP 197 N 4.30 1.24 -3.68 0.00 5.68 -1.26 -4.87 116.55 117.95 3m7w n ASP 197 Ca 0.18 -2.74 -0.05 0.00 -0.50 0.00 0.00 54.79 51.68 3m7w n ASP 197 Cb 0.30 -0.37 -0.02 0.00 -1.14 0.00 0.00 41.12 39.89 3m7w n ASP 197 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3m7w s ARG 198 N -1.44 1.14 0.59 0.11 1.70 -1.26 -3.19 118.95 116.61 3m7w s ARG 198 Ca 0.28 -0.58 -0.18 0.00 -0.47 0.00 0.00 55.73 54.78 3m7w s ARG 198 Cb 0.29 0.42 -0.03 0.00 -0.57 0.00 0.00 34.95 35.05 3m7w s ARG 198 CO -0.07 -0.52 1.14 -2.14 -1.08 0.00 0.00 175.30 172.63 3m7w s PRO 199 N -3.31 3.09 0.10 3.89 0.02 -1.22 -4.76 135.00 132.81 3m7w s PRO 199 Ca 0.10 1.60 0.05 0.00 0.02 0.00 0.00 61.00 62.77 3m7w s PRO 199 Cb -0.02 -1.97 -0.03 0.00 0.02 0.00 0.00 34.50 32.50 3m7w s PRO 199 CO -0.01 -1.06 -0.14 0.96 -0.33 0.00 0.00 177.00 176.42 3m7w s ILE 200 N -1.90 1.18 -0.10 2.83 -4.36 -1.26 -3.61 121.20 113.98 3m7w s ILE 200 Ca 0.72 -1.52 0.03 0.00 -0.26 0.00 0.00 60.65 59.63 3m7w s ILE 200 Cb -0.24 -1.30 0.00 0.00 1.25 0.00 0.00 42.46 42.17 3m7w s ILE 200 CO 0.33 -0.34 -0.21 -0.63 0.24 0.00 0.00 174.94 174.33 3m7w s ILE 201 N -1.77 1.83 0.01 8.37 1.01 0.47 0.22 121.20 131.34 3m7w s ILE 201 Ca 0.03 -0.88 -0.04 0.00 0.00 0.00 0.00 60.65 59.77 3m7w s ILE 201 Cb -0.07 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.79 3m7w s ILE 201 CO 0.02 0.51 0.05 0.42 0.00 0.00 0.00 174.94 175.95 3m7w s THR 202 N 0.50 0.09 -0.02 2.92 -4.23 -1.26 -1.19 115.64 112.45 3m7w s THR 202 Ca -0.16 -0.76 -0.28 0.00 -1.18 0.00 0.00 61.69 59.31 3m7w s THR 202 Cb -0.17 -0.33 0.06 0.00 1.34 0.00 0.00 72.50 73.40 3m7w s THR 202 CO 0.06 -0.42 0.61 0.00 -0.54 0.00 0.00 174.62 174.33 3m7w s MET 203 N -1.35 1.03 -0.26 3.99 0.23 -0.58 -4.86 119.30 117.50 3m7w s MET 203 Ca -0.15 0.10 -0.05 0.00 -1.03 0.00 0.00 55.69 54.56 3m7w s MET 203 Cb -0.08 0.48 0.00 0.00 -1.53 0.00 0.00 34.83 33.70 3m7w s MET 203 CO 0.00 -0.33 0.02 0.45 -2.03 0.00 0.00 175.02 173.13 3m7w s SER 204 N -1.41 4.74 0.98 -1.18 0.15 -1.26 -1.67 113.70 114.04 3m7w s SER 204 Ca -0.10 -0.56 -0.14 0.00 0.70 0.00 0.00 55.95 55.85 3m7w s SER 204 Cb -0.01 -1.81 0.18 0.00 -1.71 0.00 0.00 66.02 62.67 3m7w s SER 204 CO 0.06 -0.10 1.15 -0.04 1.20 0.00 0.00 173.24 175.51 3m7w s MET 205 N 1.48 0.59 0.12 5.44 1.00 0.02 -4.06 119.30 123.89 3m7w s MET 205 Ca 0.04 0.16 0.00 0.00 0.00 0.00 0.00 55.69 55.89 3m7w s MET 205 Cb -0.16 -1.79 0.00 0.00 0.00 0.00 0.00 34.83 32.88 3m7w s MET 205 CO -0.00 -2.54 0.00 -1.13 0.00 0.00 0.00 175.02 171.34 3m7w n SER 206 N -3.98 -2.08 -0.31 3.03 3.41 -0.38 -2.90 113.62 110.41 3m7w n SER 206 Ca 0.09 0.25 0.05 0.00 -0.26 0.00 0.00 58.87 58.99 3m7w n SER 206 Cb 0.59 -1.12 0.24 0.00 -0.26 0.00 0.00 64.21 63.67 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 -0.33 0.99 -0.44 4.33 3.64 -1.86 -1.84 116.57 121.05 3m7w h LYS 207 Ca -0.02 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 3m7w h LYS 207 Cb 0.33 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3m7w h LYS 207 CO 0.01 0.65 0.25 1.15 -2.27 0.00 0.00 179.45 179.24 3m7w h THR 208 N 1.02 1.14 -0.14 1.00 2.02 -1.94 -2.74 112.91 113.25 3m7w h THR 208 Ca 0.40 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.25 3m7w h THR 208 Cb 0.24 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 3m7w h THR 208 CO -0.16 0.15 0.00 0.61 0.37 0.00 0.00 175.52 176.49 3m7w n GLY 209 N -1.35 0.57 0.39 2.16 0.00 -0.72 -4.57 105.19 101.66 3m7w n GLY 209 Ca 0.03 -0.52 0.21 0.00 0.00 0.00 0.00 46.02 45.74 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 3.04 0.67 0.00 1.61 3.04 -1.16 0.93 116.25 124.38 3m7w h VAL 210 Ca 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.67 3m7w h VAL 210 Cb 0.66 0.71 -0.00 0.00 -2.01 0.00 0.00 31.29 30.65 3m7w h VAL 210 CO 0.00 0.00 -0.07 -0.29 -1.01 0.00 0.00 177.57 176.20 3m7w h ILE 211 N 0.00 0.90 0.00 3.17 6.09 -1.83 -1.08 117.51 124.75 3m7w h ILE 211 Ca 0.26 -0.27 0.00 0.00 -1.37 0.00 0.00 64.86 63.48 3m7w h ILE 211 Cb 1.07 1.15 0.00 0.00 0.47 0.00 0.00 36.82 39.51 3m7w h ILE 211 CO -0.00 0.07 0.00 0.77 -3.07 0.00 0.00 178.15 175.92 3m7w h SER 212 N 0.00 0.00 0.53 2.19 4.64 -1.10 -1.34 113.55 118.47 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 0.00 -0.51 0.54 -0.87 0.00 0.00 176.83 176.00 3m7w n ARG 213 N -2.98 0.02 -0.04 4.77 1.74 -0.42 -4.25 116.66 115.51 3m7w n ARG 213 Ca 0.01 0.01 -0.02 0.00 -0.77 0.00 0.00 57.85 57.07 3m7w n ARG 213 Cb 0.28 -1.51 -0.10 0.00 -1.02 0.00 0.00 32.46 30.11 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 -1.55 0.00 -1.78 0.55 4.77 -0.71 -4.70 117.00 113.58 3m7w n LEU 214 Ca 0.05 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.87 3m7w n LEU 214 Cb 0.34 0.21 0.18 0.00 -2.33 0.00 0.00 43.42 41.82 3m7w n LEU 214 CO 0.35 0.21 1.02 0.00 -1.33 0.00 0.00 177.39 177.64 3m7w n ALA 215 N -2.30 5.09 0.35 -1.18 0.00 -0.59 -4.69 120.51 117.19 3m7w n ALA 215 Ca -0.14 -3.05 0.14 0.00 0.00 0.00 0.00 53.44 50.39 3m7w n ALA 215 Cb 0.72 -1.14 0.52 0.00 0.00 0.00 0.00 19.45 19.56 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 1.05 0.00 0.79 0.00 0.00 -1.81 -3.16 103.07 99.93 3m7w h GLY 216 Ca 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.73 3m7w h GLY 216 CO 0.81 0.00 -0.10 -2.09 0.00 0.00 0.00 176.54 175.16 3m7w h GLU 217 N 0.00 0.40 -0.13 4.80 4.81 -1.84 0.82 114.58 123.43 3m7w h GLU 217 Ca 0.00 -0.18 -0.07 0.00 -0.13 0.00 0.00 59.36 58.98 3m7w h GLU 217 Cb 0.55 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 3m7w h GLU 217 CO 0.00 0.71 -0.18 0.28 -0.73 0.00 0.00 179.01 179.09 3m7w h VAL 218 N 0.08 1.36 0.00 0.32 2.07 -1.93 -3.32 116.25 114.83 3m7w h VAL 218 Ca 0.04 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.17 3m7w h VAL 218 Cb 0.59 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 3m7w h VAL 218 CO 0.03 0.41 -0.08 -0.26 0.02 0.00 0.00 177.57 177.69 3m7w h PHE 219 N -0.04 0.00 0.00 1.57 0.04 -1.60 -3.48 116.94 113.44 3m7w h PHE 219 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3m7w h PHE 219 Cb 0.73 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.88 3m7w h PHE 219 CO 0.09 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.21 3m7w n GLY 220 N 1.14 1.55 3.64 -1.45 0.00 -0.26 -3.80 105.19 106.00 3m7w n GLY 220 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 6.49 0.12 1.61 0.15 0.12 -4.41 113.70 115.78 3m7w s SER 221 Ca 0.00 0.59 0.26 0.00 0.70 0.00 0.00 55.95 57.50 3m7w s SER 221 Cb 0.00 -2.29 0.66 0.00 -1.71 0.00 0.00 66.02 62.68 3m7w s SER 221 CO 0.00 -0.24 1.58 0.00 1.20 0.00 0.00 173.24 175.77 3m7w n ALA 222 N 5.23 2.70 -2.89 5.45 0.00 0.13 -4.17 120.51 126.96 3m7w n ALA 222 Ca -0.04 -0.16 -0.11 0.00 0.00 0.00 0.00 53.44 53.13 3m7w n ALA 222 Cb 0.50 -1.31 -0.07 0.00 0.00 0.00 0.00 19.45 18.57 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 -3.10 -0.60 -0.05 0.00 0.00 -1.26 -1.18 121.76 115.58 3m7w s ALA 223 Ca 0.09 -0.17 -0.10 0.00 0.00 0.00 0.00 51.96 51.79 3m7w s ALA 223 Cb 0.14 0.42 0.02 0.00 0.00 0.00 0.00 23.12 23.70 3m7w s ALA 223 CO 0.65 -0.47 0.24 -0.08 0.00 0.00 0.00 175.76 176.10 3m7w s THR 224 N -3.06 0.04 -0.09 0.00 -1.32 0.99 -4.60 115.64 107.60 3m7w s THR 224 Ca -0.01 -0.30 -0.15 0.00 -1.21 0.00 0.00 61.69 60.02 3m7w s THR 224 Cb 0.01 -0.45 -0.05 0.00 -1.51 0.00 0.00 72.50 70.50 3m7w s THR 224 CO -0.07 -0.17 0.37 -0.36 -2.21 0.00 0.00 174.62 172.18 3m7w s PHE 225 N -0.64 3.58 0.47 9.09 0.40 -1.26 -1.40 117.98 128.21 3m7w s PHE 225 Ca -0.07 0.80 0.04 0.00 -0.60 0.00 0.00 56.93 57.10 3m7w s PHE 225 Cb -0.04 -2.34 -0.04 0.00 0.51 0.00 0.00 43.02 41.11 3m7w s PHE 225 CO 0.02 0.40 0.03 0.20 0.70 0.00 0.00 175.22 176.57 3m7w s GLY 226 N -0.16 2.76 -0.01 4.36 0.00 -0.54 -4.49 107.32 109.24 3m7w s GLY 226 Ca 0.21 -1.29 0.07 0.00 0.00 0.00 0.00 44.72 43.72 3m7w s GLY 226 CO 0.09 -2.13 -0.24 0.00 0.00 0.00 0.00 173.10 170.82 3m7w s ALA 227 N -2.79 1.97 0.00 3.20 0.00 0.50 -4.44 121.76 120.20 3m7w s ALA 227 Ca 0.21 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.13 3m7w s ALA 227 Cb 0.05 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.68 3m7w s ALA 227 CO 0.11 0.48 0.00 0.28 0.00 0.00 0.00 175.76 176.63 3m7w n VAL 228 N 2.41 0.00 -0.02 0.00 0.31 -1.26 -1.44 118.33 118.32 3m7w n VAL 228 Ca -0.16 0.32 -0.02 0.00 -0.01 0.00 0.00 64.34 64.47 3m7w n VAL 228 Cb 0.52 -1.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.42 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 -1.54 3.27 -3.90 5.55 5.02 -1.26 -4.77 118.16 120.51 3m7w n LYS 229 Ca 0.00 -0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 3m7w n LYS 229 Cb 0.00 -1.11 -0.15 0.00 -0.02 0.00 0.00 35.03 33.75 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 -2.10 0.15 0.53 1.97 -2.85 -1.26 -5.14 119.74 111.04 3m7w s LYS 230 Ca -0.02 0.05 -0.21 0.00 -1.00 0.00 0.00 55.97 54.79 3m7w s LYS 230 Cb 0.01 -0.29 -0.06 0.00 -2.06 0.00 0.00 37.83 35.44 3m7w s LYS 230 CO 0.17 -0.07 1.18 0.00 0.10 0.00 0.00 175.35 176.72 3m7w s ALA 231 N 0.61 2.76 -1.79 0.59 0.00 -1.26 -4.87 121.76 117.79 3m7w s ALA 231 Ca -0.06 0.94 0.23 0.00 0.00 0.00 0.00 51.96 53.07 3m7w s ALA 231 Cb -0.08 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.67 3m7w s ALA 231 CO -0.01 -0.88 1.11 -1.13 0.00 0.00 0.00 175.76 174.85 3m7w n SER 232 N -1.09 1.71 -3.49 0.00 3.41 -1.26 -4.95 113.62 107.94 3m7w n SER 232 Ca 0.11 -1.33 -0.15 0.00 -0.26 0.00 0.00 58.87 57.24 3m7w n SER 232 Cb 0.49 0.54 -0.04 0.00 -0.26 0.00 0.00 64.21 64.94 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 -2.59 -1.73 0.36 7.33 0.00 -1.26 -5.14 121.76 118.73 3m7w s ALA 233 Ca 0.17 1.04 -0.28 0.00 0.00 0.00 0.00 51.96 52.89 3m7w s ALA 233 Cb 0.18 0.27 -0.11 0.00 0.00 0.00 0.00 23.12 23.46 3m7w s ALA 233 CO 0.63 -0.52 1.44 -2.14 0.00 0.00 0.00 175.76 175.16 3m7w s PRO 234 N -2.17 4.19 0.00 0.00 0.02 -1.26 -3.37 135.00 132.41 3m7w s PRO 234 Ca -0.05 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.43 3m7w s PRO 234 Cb -0.00 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.51 3m7w s PRO 234 CO 0.00 -0.43 0.00 0.41 -0.33 0.00 0.00 177.00 176.65 3m7w n GLY 235 N 0.67 3.31 3.78 0.52 0.00 -1.26 -1.25 105.19 110.95 3m7w n GLY 235 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.81 4.14 0.42 1.61 -0.21 -1.22 -4.76 119.66 118.82 3m7w s GLN 236 Ca 0.00 2.53 0.07 0.00 0.02 0.00 0.00 55.36 57.98 3m7w s GLN 236 Cb 0.00 -2.99 -0.04 0.00 1.00 0.00 0.00 33.01 30.98 3m7w s GLN 236 CO 0.00 -0.50 0.23 0.96 -2.12 0.00 0.00 175.29 173.86 3m7w s ILE 237 N -1.00 2.38 0.48 1.08 -4.36 -1.26 -4.76 121.20 113.76 3m7w s ILE 237 Ca 0.53 -1.61 -0.23 0.00 -0.26 0.00 0.00 60.65 59.08 3m7w s ILE 237 Cb -0.46 -2.99 -0.08 0.00 1.25 0.00 0.00 42.46 40.18 3m7w s ILE 237 CO 0.60 0.00 1.25 -1.54 0.24 0.00 0.00 174.94 175.50 3m7w n SER 238 N -1.32 2.35 -0.17 4.36 3.41 -1.26 -0.37 113.62 120.63 3m7w n SER 238 Ca 0.00 1.03 -0.01 0.00 -0.26 0.00 0.00 58.87 59.63 3m7w n SER 238 Cb 0.64 -1.51 0.24 0.00 -0.26 0.00 0.00 64.21 63.32 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 1.68 1.20 -0.48 -3.33 -1.51 -1.55 -0.48 116.25 111.78 3m7w h VAL 239 Ca -0.49 -0.52 -0.03 0.00 -1.23 0.00 0.00 66.70 64.43 3m7w h VAL 239 Cb 1.31 0.34 -0.02 0.00 -2.13 0.00 0.00 31.29 30.79 3m7w h VAL 239 CO 0.58 0.23 0.16 0.00 -1.23 0.00 0.00 177.57 177.31 3m7w h ALA 240 N 1.47 0.63 -0.22 5.19 0.00 -1.87 0.30 119.26 124.77 3m7w h ALA 240 Ca 0.23 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3m7w h ALA 240 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3m7w h ALA 240 CO -0.03 0.27 -0.39 -0.44 0.00 0.00 0.00 179.25 178.65 3m7w h ASP 241 N 0.64 0.52 0.01 0.00 3.32 -1.83 -1.66 116.42 117.42 3m7w h ASP 241 Ca 0.16 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 3m7w h ASP 241 Cb 0.25 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3m7w h ASP 241 CO -0.01 0.86 -0.00 0.25 -1.72 0.00 0.00 179.24 178.62 3m7w h LEU 242 N 0.41 -0.01 -0.66 1.55 5.85 -0.68 -2.34 115.31 119.42 3m7w h LEU 242 Ca 0.04 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.72 3m7w h LEU 242 Cb 0.86 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 3m7w h LEU 242 CO 0.07 0.05 0.43 -0.09 -0.34 0.00 0.00 178.44 178.56 3m7w h ARG 243 N -0.07 0.84 -0.46 1.25 9.65 -0.75 -1.45 114.38 123.40 3m7w h ARG 243 Ca -0.00 -0.05 0.09 0.00 -1.10 0.00 0.00 59.98 58.92 3m7w h ARG 243 Cb 0.06 -0.19 -0.08 0.00 -1.39 0.00 0.00 29.97 28.38 3m7w h ARG 243 CO 0.00 0.56 -0.00 1.15 2.80 0.00 0.00 179.97 184.48 3m7w h THR 244 N 0.86 0.64 -0.30 0.20 2.02 -1.15 -0.49 112.91 114.70 3m7w h THR 244 Ca 0.25 -0.04 -0.09 0.00 0.77 0.00 0.00 66.41 67.30 3m7w h THR 244 Cb -0.06 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 3m7w h THR 244 CO -0.07 0.02 -0.15 0.58 0.37 0.00 0.00 175.52 176.26 3m7w h VAL 245 N 0.11 1.29 -0.89 3.16 2.07 -0.93 -2.54 116.25 118.53 3m7w h VAL 245 Ca 0.23 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 3m7w h VAL 245 Cb 0.34 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 3m7w h VAL 245 CO -0.38 0.40 0.53 -0.07 0.02 0.00 0.00 177.57 178.07 3m7w h LEU 246 N 0.38 1.08 -0.49 2.57 3.38 -0.85 -0.98 115.31 120.40 3m7w h LEU 246 Ca 0.07 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 3m7w h LEU 246 Cb 0.68 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3m7w h LEU 246 CO 0.05 0.84 -0.17 0.74 0.09 0.00 0.00 178.44 179.98 3m7w h THR 247 N 1.23 1.27 -0.17 0.22 2.02 -1.07 0.13 112.91 116.54 3m7w h THR 247 Ca 0.32 -1.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.17 3m7w h THR 247 Cb -0.03 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 3m7w h THR 247 CO -0.06 0.46 0.11 0.40 0.37 0.00 0.00 175.52 176.80 3m7w h ILE 248 N 0.85 1.07 -0.02 3.11 2.04 -1.00 -2.58 117.51 120.97 3m7w h ILE 248 Ca 0.12 -0.16 -0.12 0.00 1.00 0.00 0.00 64.86 65.70 3m7w h ILE 248 Cb 0.75 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 3m7w h ILE 248 CO 0.06 0.06 -0.55 -0.07 0.00 0.00 0.00 178.15 177.65 3m7w h LEU 249 N 0.21 0.06 -1.50 1.44 3.38 -1.09 -1.49 115.31 116.32 3m7w h LEU 249 Ca 0.06 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3m7w h LEU 249 Cb 0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3m7w h LEU 249 CO -0.01 0.60 -0.24 -0.74 0.09 0.00 0.00 178.44 178.13 3m7w h HIS 250 N 0.04 0.00 -0.29 1.13 2.76 -0.56 -3.07 115.15 115.16 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 0.98 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.94 3m7w h HIS 250 CO 0.00 0.24 0.00 1.04 -1.30 0.00 0.00 177.93 177.92 3m7w n GLN 251 N -3.81 2.87 0.00 5.26 6.02 -0.99 -5.03 117.38 121.70 3m7w n GLN 251 Ca -0.02 -2.21 0.13 0.00 -0.01 0.00 0.00 57.00 54.90 3m7w n GLN 251 Cb 0.34 -1.39 0.79 0.00 1.02 0.00 0.00 30.24 30.99 3m7w n GLN 251 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05