#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m9l n ALA 2 N 0.00 1.01 -3.00 3.04 0.00 -1.26 -4.01 120.51 116.30 1m9l n ALA 2 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1m9l n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1m9l n ALA 2 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1m9l n LYS 3 N -1.65 1.60 -3.15 0.00 5.02 -1.26 -4.34 118.16 114.38 1m9l n LYS 3 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 1m9l n LYS 3 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 1m9l n LYS 3 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1m9l s ALA 4 N -2.00 -2.34 0.00 7.82 0.00 -1.26 -4.80 121.76 119.17 1m9l s ALA 4 Ca 0.00 1.63 0.00 0.00 0.00 0.00 0.00 51.96 53.59 1m9l s ALA 4 Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 23.12 20.84 1m9l s ALA 4 CO 0.00 -1.47 0.00 0.25 0.00 0.00 0.00 175.76 174.54 1m9l n THR 5 N 5.43 0.00 -2.91 0.00 -2.24 -1.26 -4.70 114.28 108.60 1m9l n THR 5 Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.60 1m9l n THR 5 Cb 0.52 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.78 1m9l n THR 5 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1m9l s THR 6 N 2.15 2.73 0.05 4.28 -4.23 -1.26 -4.15 115.64 115.21 1m9l s THR 6 Ca 0.00 -0.90 -0.29 0.00 -1.18 0.00 0.00 61.69 59.32 1m9l s THR 6 Cb 0.00 -2.83 -0.17 0.00 1.34 0.00 0.00 72.50 70.84 1m9l s THR 6 CO 0.00 0.00 1.46 -0.29 -0.54 0.00 0.00 174.62 175.25 1m9l h ILE 7 N 0.37 0.48 0.36 2.99 -0.00 -1.91 0.73 117.51 120.52 1m9l h ILE 7 Ca -0.38 -0.23 -0.00 0.00 -0.00 0.00 0.00 64.86 64.24 1m9l h ILE 7 Cb 1.28 0.58 -0.03 0.00 -0.00 0.00 0.00 36.82 38.66 1m9l h ILE 7 CO 0.46 0.04 -0.50 0.11 -0.00 0.00 0.00 178.15 178.25 1m9l h LYS 8 N -0.81 -0.86 0.53 2.19 1.57 -1.96 -0.20 116.57 117.03 1m9l h LYS 8 Ca -0.07 0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1m9l h LYS 8 Cb 0.57 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 1m9l h LYS 8 CO 0.11 -0.57 -0.45 -0.44 -0.57 0.00 0.00 179.45 177.53 1m9l h ASP 9 N -0.89 -1.21 -0.55 0.86 3.32 -1.97 -1.63 116.42 114.34 1m9l h ASP 9 Ca -0.04 0.09 0.11 0.00 0.02 0.00 0.00 57.03 57.21 1m9l h ASP 9 Cb 0.81 0.39 -0.09 0.00 0.22 0.00 0.00 39.33 40.65 1m9l h ASP 9 CO -0.14 -0.62 0.02 0.00 -1.72 0.00 0.00 179.24 176.78 1m9l h ALA 10 N -1.08 0.55 -0.75 3.45 0.00 -0.81 0.29 119.26 120.92 1m9l h ALA 10 Ca -0.07 0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1m9l h ALA 10 Cb 0.81 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1m9l h ALA 10 CO -0.01 -0.38 0.24 0.82 0.00 0.00 0.00 179.25 179.92 1m9l h ILE 11 N 0.14 1.26 -0.11 0.00 2.04 -0.92 0.32 117.51 120.23 1m9l h ILE 11 Ca 0.29 -0.90 -0.13 0.00 1.00 0.00 0.00 64.86 65.11 1m9l h ILE 11 Cb 0.44 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1m9l h ILE 11 CO -0.45 0.36 -0.50 -0.09 0.00 0.00 0.00 178.15 177.47 1m9l h ARG 12 N 1.11 0.30 0.00 2.37 2.43 -0.56 -1.39 114.38 118.64 1m9l h ARG 12 Ca 0.24 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 1m9l h ARG 12 Cb 0.30 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1m9l h ARG 12 CO -0.01 0.73 -0.28 0.82 -1.51 0.00 0.00 179.97 179.72 1m9l h ILE 13 N 0.24 0.69 0.12 1.20 2.04 0.26 0.07 117.51 122.12 1m9l h ILE 13 Ca 0.01 -1.24 -0.27 0.00 1.00 0.00 0.00 64.86 64.36 1m9l h ILE 13 Cb 0.96 1.80 0.01 0.00 -0.74 0.00 0.00 36.82 38.85 1m9l h ILE 13 CO 0.08 0.27 -1.21 -0.26 0.00 0.00 0.00 178.15 177.03 1m9l h PHE 14 N 0.00 0.52 0.00 1.37 0.04 -0.03 0.18 116.94 119.02 1m9l h PHE 14 Ca -0.00 -0.36 -0.04 0.00 2.80 0.00 0.00 57.97 60.36 1m9l h PHE 14 Cb 0.78 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.90 1m9l h PHE 14 CO 0.00 1.27 -0.19 1.49 -0.60 0.00 0.00 178.31 180.28 1m9l h GLU 15 N 0.09 0.00 0.00 1.51 4.81 -0.42 0.35 114.58 120.92 1m9l h GLU 15 Ca -0.13 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 1m9l h GLU 15 Cb 1.93 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.30 1m9l h GLU 15 CO 0.20 0.19 -0.84 0.39 -0.73 0.00 0.00 179.01 178.22 1m9l n GLU 16 N -4.23 0.49 0.06 1.92 1.02 -0.07 -3.58 120.64 116.26 1m9l n GLU 16 Ca -0.02 0.40 -0.03 0.00 -0.02 0.00 0.00 57.16 57.49 1m9l n GLU 16 Cb 0.26 -1.59 -0.01 0.00 -0.02 0.00 0.00 31.44 30.07 1m9l n GLU 16 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1m9l h ARG 17 N -1.00 -0.19 -0.52 3.49 2.43 -0.78 -3.28 114.38 114.54 1m9l h ARG 17 Ca -0.06 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.19 1m9l h ARG 17 Cb 0.80 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.36 1m9l h ARG 17 CO -0.04 -0.13 0.35 -0.22 -1.51 0.00 0.00 179.97 178.42 1m9l h LYS 18 N -0.59 0.43 -4.09 0.20 3.11 -1.58 -3.47 116.57 110.58 1m9l h LYS 18 Ca -0.02 -0.03 -0.09 0.00 -2.81 0.00 0.00 60.65 57.70 1m9l h LYS 18 Cb 0.15 -0.10 0.07 0.00 -1.00 0.00 0.00 32.23 31.36 1m9l h LYS 18 CO 0.03 0.28 -0.32 -1.13 -2.81 0.00 0.00 179.45 175.51 1m9l n SER 19 N -4.47 -4.16 -0.94 4.20 3.41 0.11 -4.99 113.62 106.77 1m9l n SER 19 Ca 0.07 -0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1m9l n SER 19 Cb 0.26 -2.66 0.00 0.00 -0.26 0.00 0.00 64.21 61.56 1m9l n SER 19 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1m9l n VAL 20 N -2.12 0.00 -3.72 -3.33 0.24 -0.66 -4.98 118.33 103.76 1m9l n VAL 20 Ca -0.03 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.90 1m9l n VAL 20 Cb 0.54 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.81 1m9l n VAL 20 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1m9l s VAL 21 N -2.19 3.57 -0.09 3.34 1.01 -1.26 -4.18 120.40 120.60 1m9l s VAL 21 Ca 0.00 -1.85 -0.10 0.00 0.00 0.00 0.00 61.98 60.04 1m9l s VAL 21 Cb 0.00 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 1m9l s VAL 21 CO 0.00 -0.62 -0.19 0.00 0.00 0.00 0.00 175.10 174.28 1m9l n ALA 22 N 4.70 0.93 0.00 5.51 0.00 -1.26 -3.99 120.51 126.40 1m9l n ALA 22 Ca -0.05 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1m9l n ALA 22 Cb 0.42 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1m9l n ALA 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1m9l n THR 23 N -3.68 0.00 0.00 0.00 -1.04 -1.26 -1.64 114.28 106.66 1m9l n THR 23 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1m9l n THR 23 Cb 0.29 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.80 1m9l n THR 23 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1m9l n GLU 24 N 0.00 0.00 -1.15 -2.82 2.13 -1.26 -5.11 120.64 112.44 1m9l n GLU 24 Ca 0.00 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.51 1m9l n GLU 24 Cb 0.00 0.00 0.11 0.00 0.27 0.00 0.00 31.44 31.82 1m9l n GLU 24 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1m9l s ALA 25 N -2.00 2.02 0.34 4.31 0.00 -0.65 -4.70 121.76 121.08 1m9l s ALA 25 Ca 0.00 0.29 0.02 0.00 0.00 0.00 0.00 51.96 52.27 1m9l s ALA 25 Cb 0.00 -3.30 0.59 0.00 0.00 0.00 0.00 23.12 20.41 1m9l s ALA 25 CO 0.00 -2.02 1.96 0.93 0.00 0.00 0.00 175.76 176.62 1m9l h GLU 26 N -1.32 0.79 -5.76 0.00 3.07 -1.89 -3.38 114.58 106.09 1m9l h GLU 26 Ca -0.44 -0.08 -0.62 0.00 -0.50 0.00 0.00 59.36 57.72 1m9l h GLU 26 Cb 1.24 -0.16 -0.13 0.00 -0.84 0.00 0.00 28.75 28.87 1m9l h GLU 26 CO 0.50 0.59 0.51 0.15 -1.40 0.00 0.00 179.01 179.36 1m9l s LYS 27 N -5.51 3.31 -0.31 2.33 1.02 -1.26 0.10 119.74 119.42 1m9l s LYS 27 Ca -0.10 -0.33 0.03 0.00 0.02 0.00 0.00 55.97 55.60 1m9l s LYS 27 Cb 0.17 -4.06 0.09 0.00 -0.52 0.00 0.00 37.83 33.51 1m9l s LYS 27 CO 0.77 -1.46 0.01 0.08 -0.92 0.00 0.00 175.35 173.83 1m9l s VAL 28 N 3.81 2.17 -0.89 3.17 1.01 -0.69 -4.79 120.40 124.19 1m9l s VAL 28 Ca 0.29 -2.09 -0.19 0.00 0.00 0.00 0.00 61.98 59.99 1m9l s VAL 28 Cb -0.13 -2.51 0.13 0.00 0.00 0.00 0.00 36.38 33.86 1m9l s VAL 28 CO 0.18 -0.44 1.09 -1.61 0.00 0.00 0.00 175.10 174.33 1m9l s GLU 29 N 1.00 3.54 0.00 2.72 0.41 -1.26 -1.26 118.70 123.86 1m9l s GLU 29 Ca 0.05 -1.69 0.00 0.00 -0.41 0.00 0.00 54.97 52.92 1m9l s GLU 29 Cb -0.19 -4.82 0.00 0.00 -1.78 0.00 0.00 34.13 27.33 1m9l s GLU 29 CO -0.08 -1.76 0.00 1.28 -0.49 0.00 0.00 175.26 174.22 1m9l n LEU 30 N 6.56 0.00 0.00 1.80 4.77 -0.52 -4.53 117.00 125.08 1m9l n LEU 30 Ca 0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1m9l n LEU 30 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1m9l n LEU 30 CO 0.51 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 178.14 1m9l n HIS 31 N 0.00 0.00 -3.84 -1.77 -0.00 -1.26 -4.63 115.22 103.72 1m9l n HIS 31 Ca 0.00 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.11 1m9l n HIS 31 Cb 0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 29.85 1m9l n HIS 31 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1m9l s GLY 32 N -0.13 -0.12 -0.10 1.57 0.00 -1.26 -1.31 107.32 105.97 1m9l s GLY 32 Ca 0.00 -0.24 -0.24 0.00 0.00 0.00 0.00 44.72 44.24 1m9l s GLY 32 CO 0.00 -0.07 0.58 -0.29 0.00 0.00 0.00 173.10 173.31 1m9l s MET 33 N -3.82 0.86 0.12 2.90 1.75 -0.46 0.08 119.30 120.72 1m9l s MET 33 Ca 0.11 0.37 -0.28 0.00 -1.25 0.00 0.00 55.69 54.64 1m9l s MET 33 Cb -0.05 0.40 -0.06 0.00 2.84 0.00 0.00 34.83 37.96 1m9l s MET 33 CO 0.06 -0.21 0.89 0.96 -0.65 0.00 0.00 175.02 176.07 1m9l s ILE 34 N -0.69 4.48 0.22 10.11 -4.36 -1.26 -2.84 121.20 126.86 1m9l s ILE 34 Ca -0.08 1.94 -0.13 0.00 -0.26 0.00 0.00 60.65 62.12 1m9l s ILE 34 Cb -0.03 -4.26 0.28 0.00 1.25 0.00 0.00 42.46 39.71 1m9l s ILE 34 CO 0.06 0.38 1.61 -0.65 0.24 0.00 0.00 174.94 176.57 1m9l h PRO 35 N 5.26 -0.01 -0.00 0.37 0.11 -1.97 -1.66 132.00 134.10 1m9l h PRO 35 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1m9l h PRO 35 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1m9l h PRO 35 CO 0.70 -0.01 0.00 -2.30 -0.21 0.00 0.00 178.00 176.19 1m9l n PRO 36 N -5.48 0.25 -1.66 1.05 -0.02 -1.26 -0.59 135.00 127.29 1m9l n PRO 36 Ca 0.09 0.00 -0.58 0.00 -2.02 0.00 0.00 63.50 61.00 1m9l n PRO 36 Cb 0.37 -1.00 -0.07 0.00 -0.02 0.00 0.00 33.50 32.77 1m9l n PRO 36 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1m9l n ILE 37 N -0.49 0.15 0.00 4.25 3.06 -0.63 -4.78 119.36 120.92 1m9l n ILE 37 Ca 0.00 -0.03 0.00 0.00 -2.50 0.00 0.00 62.75 60.22 1m9l n ILE 37 Cb 0.00 -0.89 0.00 0.00 0.54 0.00 0.00 39.64 39.29 1m9l n ILE 37 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 1m9l n GLU 38 N 4.01 0.00 -4.28 9.51 2.13 -1.26 -1.61 120.64 129.14 1m9l n GLU 38 Ca 0.24 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.71 1m9l n GLU 38 Cb 0.12 -0.23 -0.09 0.00 0.27 0.00 0.00 31.44 31.51 1m9l n GLU 38 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1m9l s LYS 39 N 0.00 3.05 -1.20 5.31 1.02 -1.26 -3.23 119.74 123.43 1m9l s LYS 39 Ca 0.00 -0.38 -0.06 0.00 0.02 0.00 0.00 55.97 55.56 1m9l s LYS 39 Cb 0.00 -2.85 0.22 0.00 -0.52 0.00 0.00 37.83 34.67 1m9l s LYS 39 CO 0.00 0.71 1.91 -1.33 -0.92 0.00 0.00 175.35 175.72 1m9l n MET 40 N 2.03 4.40 0.00 1.68 2.81 -1.26 -4.43 117.12 122.35 1m9l n MET 40 Ca -0.18 -3.95 0.12 0.00 -1.81 0.00 0.00 57.70 51.87 1m9l n MET 40 Cb 0.54 -2.67 0.55 0.00 -0.71 0.00 0.00 33.22 30.93 1m9l n MET 40 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 1m9l h ASP 41 N 5.10 0.25 0.17 7.83 1.82 -1.88 -0.83 116.42 128.90 1m9l h ASP 41 Ca 0.45 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.10 1m9l h ASP 41 Cb 0.49 -0.05 -0.03 0.00 0.68 0.00 0.00 39.33 40.41 1m9l h ASP 41 CO 1.44 0.16 -0.40 0.00 -1.61 0.00 0.00 179.24 178.83 1m9l h ALA 42 N 1.76 -0.94 -0.45 -0.78 0.00 -1.85 -1.51 119.26 115.49 1m9l h ALA 42 Ca 0.21 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.11 1m9l h ALA 42 Cb 0.46 0.75 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 1m9l h ALA 42 CO -0.04 -1.02 -0.16 1.15 0.00 0.00 0.00 179.25 179.17 1m9l h THR 43 N -0.64 0.46 -0.65 0.00 2.02 -1.72 0.67 112.91 113.05 1m9l h THR 43 Ca -0.02 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.29 1m9l h THR 43 Cb 0.61 0.46 -0.13 0.00 -1.74 0.00 0.00 68.15 67.36 1m9l h THR 43 CO -0.17 0.00 -0.22 0.25 0.37 0.00 0.00 175.52 175.74 1m9l h LEU 44 N -0.06 -0.80 0.02 2.58 6.46 -0.58 0.44 115.31 123.36 1m9l h LEU 44 Ca 0.22 0.21 -0.27 0.00 -0.12 0.00 0.00 57.88 57.92 1m9l h LEU 44 Cb 0.39 0.47 -0.04 0.00 -0.73 0.00 0.00 40.66 40.76 1m9l h LEU 44 CO -0.49 -0.25 -1.45 -0.24 -0.62 0.00 0.00 178.44 175.38 1m9l n SER 45 N -5.45 1.90 0.12 1.25 2.88 -0.62 -3.94 113.62 109.74 1m9l n SER 45 Ca 0.07 0.39 0.05 0.00 -1.33 0.00 0.00 58.87 58.05 1m9l n SER 45 Cb 0.35 -0.94 0.26 0.00 -0.75 0.00 0.00 64.21 63.13 1m9l n SER 45 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1m9l n THR 46 N -4.30 0.80 -0.26 2.46 5.66 0.21 -1.83 114.28 117.02 1m9l n THR 46 Ca -0.34 0.67 -0.02 0.00 -3.05 0.00 0.00 64.05 61.31 1m9l n THR 46 Cb 0.74 -1.67 0.01 0.00 -1.55 0.00 0.00 70.33 67.86 1m9l n THR 46 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1m9l n LEU 47 N -1.84 -0.48 -0.35 1.09 0.00 0.16 -0.04 117.00 115.54 1m9l n LEU 47 Ca -0.01 1.16 0.14 0.00 0.00 0.00 0.00 56.01 57.30 1m9l n LEU 47 Cb 0.28 -0.24 0.27 0.00 0.00 0.00 0.00 43.42 43.73 1m9l n LEU 47 CO 0.04 -1.03 0.78 0.11 0.00 0.00 0.00 177.39 177.29 1m9l h LYS 48 N 0.00 0.00 0.00 1.96 1.57 -1.65 0.54 116.57 118.99 1m9l h LYS 48 Ca 0.21 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.85 1m9l h LYS 48 Cb 0.37 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1m9l h LYS 48 CO -0.65 0.00 -1.46 0.00 -0.57 0.00 0.00 179.45 176.76 1m9l n ALA 49 N -3.22 2.10 -1.15 3.86 0.00 0.94 -5.03 120.51 118.01 1m9l n ALA 49 Ca 0.22 -0.54 -0.45 0.00 0.00 0.00 0.00 53.44 52.68 1m9l n ALA 49 Cb 0.73 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 19.21 1m9l n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m9l n LYS 51 N 2.42 0.00 -3.31 0.00 4.81 -1.23 -4.30 118.16 116.54 1m9l n LYS 51 Ca 0.20 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.22 1m9l n LYS 51 Cb -0.03 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.01 1m9l n LYS 51 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1m9l n HIS 52 N -2.69 4.02 -2.50 5.64 -0.00 0.12 -0.16 115.22 119.63 1m9l n HIS 52 Ca 0.00 -3.57 -0.43 0.00 0.46 0.00 0.00 57.72 54.18 1m9l n HIS 52 Cb 0.00 -1.36 -0.02 0.00 -0.12 0.00 0.00 29.99 28.48 1m9l n HIS 52 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 1m9l s LEU 53 N -1.86 3.58 -0.23 0.27 0.20 -0.23 -1.70 118.68 118.70 1m9l s LEU 53 Ca 0.31 0.52 -0.03 0.00 0.69 0.00 0.00 54.13 55.63 1m9l s LEU 53 Cb -0.03 -3.47 0.01 0.00 -0.43 0.00 0.00 46.19 42.27 1m9l s LEU 53 CO -0.03 -1.37 -0.06 0.00 -0.29 0.00 0.00 176.35 174.60 1m9l s ALA 54 N 4.94 2.73 0.00 5.97 0.00 -0.39 -0.48 121.76 134.54 1m9l s ALA 54 Ca 0.52 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1m9l s ALA 54 Cb -0.09 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.36 1m9l s ALA 54 CO 0.31 -0.62 0.00 1.28 0.00 0.00 0.00 175.76 176.73 1m9l n LEU 55 N 4.73 0.00 0.00 0.00 7.99 -0.58 -1.44 117.00 127.70 1m9l n LEU 55 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.82 1m9l n LEU 55 Cb 0.49 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.80 1m9l n LEU 55 CO 0.28 0.00 0.00 -1.20 -1.51 0.00 0.00 177.39 174.96 1m9l n SER 56 N -0.58 0.00 -4.36 -1.43 7.64 -1.23 -4.52 113.62 109.14 1m9l n SER 56 Ca 0.00 0.00 -0.46 0.00 1.01 0.00 0.00 58.87 59.42 1m9l n SER 56 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1m9l n SER 56 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1m9l s THR 57 N 0.00 5.20 -0.05 0.44 -1.32 -0.43 -0.51 115.64 118.97 1m9l s THR 57 Ca 0.00 -1.80 0.01 0.00 -1.21 0.00 0.00 61.69 58.69 1m9l s THR 57 Cb 0.00 -4.51 0.02 0.00 -1.51 0.00 0.00 72.50 66.50 1m9l s THR 57 CO 0.00 -1.12 -0.05 0.54 -2.21 0.00 0.00 174.62 171.79 1m9l s ASN 58 N 3.01 1.14 0.02 8.08 4.22 -0.57 -1.35 114.94 129.49 1m9l s ASN 58 Ca 0.17 -0.14 -0.04 0.00 -2.14 0.00 0.00 52.86 50.71 1m9l s ASN 58 Cb -0.16 -0.49 -0.04 0.00 1.28 0.00 0.00 41.25 41.84 1m9l s ASN 58 CO -0.04 -0.07 0.24 0.20 -2.04 0.00 0.00 177.10 175.39 1m9l s ASN 59 N 1.07 6.43 -0.10 3.54 0.01 -1.13 -1.59 114.94 123.16 1m9l s ASN 59 Ca -0.09 0.44 -0.03 0.00 -0.71 0.00 0.00 52.86 52.47 1m9l s ASN 59 Cb -0.14 -2.04 0.05 0.00 0.41 0.00 0.00 41.25 39.53 1m9l s ASN 59 CO -0.01 0.23 0.09 -0.63 -1.51 0.00 0.00 177.10 175.28 1m9l s ILE 60 N -1.36 -0.13 -0.20 0.60 1.01 0.36 -3.80 121.20 117.68 1m9l s ILE 60 Ca 0.29 0.17 -0.19 0.00 0.00 0.00 0.00 60.65 60.92 1m9l s ILE 60 Cb -0.13 -0.36 -0.16 0.00 0.01 0.00 0.00 42.46 41.83 1m9l s ILE 60 CO 0.19 -0.02 0.09 -0.62 0.00 0.00 0.00 174.94 174.58 1m9l n GLU 61 N 5.30 0.55 -4.42 2.79 1.02 0.24 -3.88 120.64 122.24 1m9l n GLU 61 Ca -0.05 0.54 -0.20 0.00 -0.02 0.00 0.00 57.16 57.43 1m9l n GLU 61 Cb 0.50 -1.71 -0.14 0.00 -0.02 0.00 0.00 31.44 30.06 1m9l n GLU 61 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1m9l s LYS 62 N -2.36 0.87 -0.49 3.49 1.02 -0.63 -4.63 119.74 117.00 1m9l s LYS 62 Ca -0.27 -0.49 0.04 0.00 0.02 0.00 0.00 55.97 55.27 1m9l s LYS 62 Cb 0.06 -0.84 0.17 0.00 -0.52 0.00 0.00 37.83 36.70 1m9l s LYS 62 CO 0.52 0.22 0.37 -1.50 -0.92 0.00 0.00 175.35 174.05 1m9l s ILE 63 N -0.44 1.09 0.34 2.17 -1.16 -1.22 -4.03 121.20 117.95 1m9l s ILE 63 Ca 0.03 -3.06 0.26 0.00 -0.51 0.00 0.00 60.65 57.37 1m9l s ILE 63 Cb -0.05 -1.74 0.27 0.00 0.61 0.00 0.00 42.46 41.54 1m9l s ILE 63 CO 0.00 -1.15 1.99 -1.28 -2.81 0.00 0.00 174.94 171.70 1m9l h SER 64 N 5.69 0.00 -0.34 4.50 0.87 -1.90 -3.31 113.55 119.05 1m9l h SER 64 Ca 0.21 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.54 1m9l h SER 64 Cb 0.87 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.74 1m9l h SER 64 CO 0.47 0.16 0.09 -1.54 -0.53 0.00 0.00 176.83 175.48 1m9l n SER 65 N -3.59 5.84 -0.33 6.23 3.41 -1.26 -4.53 113.62 119.39 1m9l n SER 65 Ca -0.01 -2.76 -0.00 0.00 -0.26 0.00 0.00 58.87 55.83 1m9l n SER 65 Cb 0.30 -1.21 0.13 0.00 -0.26 0.00 0.00 64.21 63.17 1m9l n SER 65 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1m9l h LEU 66 N 3.58 0.95 -1.50 1.04 -0.00 -1.89 -0.75 115.31 116.75 1m9l h LEU 66 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.09 1m9l h LEU 66 Cb 1.05 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.51 1m9l h LEU 66 CO 0.44 0.64 0.00 0.77 -0.00 0.00 0.00 178.44 180.28 1m9l h SER 67 N 1.11 0.00 0.11 0.17 4.64 -1.92 0.05 113.55 117.70 1m9l h SER 67 Ca 0.37 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.37 1m9l h SER 67 Cb 0.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1m9l h SER 67 CO -0.14 0.00 -1.70 1.23 -0.87 0.00 0.00 176.83 175.35 1m9l h GLY 68 N 1.12 0.27 1.26 -0.77 0.00 -1.45 -3.25 103.07 100.26 1m9l h GLY 68 Ca 0.00 -0.70 0.11 0.00 0.00 0.00 0.00 47.33 46.74 1m9l h GLY 68 CO 0.00 0.61 0.27 -0.33 0.00 0.00 0.00 176.54 177.09 1m9l h MET 69 N -0.18 0.00 -3.57 4.80 2.07 -0.69 -3.04 114.93 114.32 1m9l h MET 69 Ca -0.37 -0.00 -0.50 0.00 -2.07 0.00 0.00 59.70 56.75 1m9l h MET 69 Cb 1.86 -0.00 0.02 0.00 -1.87 0.00 0.00 31.60 31.61 1m9l h MET 69 CO 0.05 0.00 2.84 -1.91 1.07 0.00 0.00 176.91 178.96 1m9l n GLU 70 N -4.43 2.36 0.00 1.72 2.13 -0.05 -1.20 120.64 121.17 1m9l n GLU 70 Ca 0.06 -1.75 0.00 0.00 0.66 0.00 0.00 57.16 56.13 1m9l n GLU 70 Cb 0.45 -2.66 0.00 0.00 0.27 0.00 0.00 31.44 29.50 1m9l n GLU 70 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1m9l n ASN 71 N 4.77 0.00 -4.77 4.31 2.85 -1.15 -4.94 115.26 116.33 1m9l n ASN 71 Ca 0.52 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.59 1m9l n ASN 71 Cb 0.21 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.22 1m9l n ASN 71 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1m9l s LEU 72 N 0.00 4.39 -0.09 1.20 2.96 -0.34 -4.71 118.68 122.09 1m9l s LEU 72 Ca 0.00 2.79 -0.10 0.00 -0.22 0.00 0.00 54.13 56.60 1m9l s LEU 72 Cb 0.00 -3.65 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 1m9l s LEU 72 CO 0.00 -0.66 -0.20 -1.14 -1.32 0.00 0.00 176.35 173.03 1m9l n ARG 73 N 0.95 0.31 -3.31 1.98 0.63 -1.24 -3.76 116.66 112.22 1m9l n ARG 73 Ca 0.01 0.13 -0.45 0.00 -0.92 0.00 0.00 57.85 56.62 1m9l n ARG 73 Cb 0.41 -1.04 -0.07 0.00 0.45 0.00 0.00 32.46 32.21 1m9l n ARG 73 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1m9l s ILE 74 N -2.45 5.13 -0.47 5.15 1.01 0.77 -1.39 121.20 128.95 1m9l s ILE 74 Ca -0.18 -1.05 -0.17 0.00 0.00 0.00 0.00 60.65 59.25 1m9l s ILE 74 Cb 0.04 -4.23 0.05 0.00 0.01 0.00 0.00 42.46 38.33 1m9l s ILE 74 CO 0.25 -0.72 0.50 -0.22 0.00 0.00 0.00 174.94 174.75 1m9l s LEU 75 N 1.89 5.12 -0.78 2.97 0.20 -0.56 -1.06 118.68 126.46 1m9l s LEU 75 Ca 0.06 -0.95 0.03 0.00 0.69 0.00 0.00 54.13 53.96 1m9l s LEU 75 Cb -0.25 -2.35 0.29 0.00 -0.43 0.00 0.00 46.19 43.45 1m9l s LEU 75 CO 0.07 -0.72 1.10 -1.20 -0.29 0.00 0.00 176.35 175.30 1m9l n SER 76 N 5.71 4.99 -2.04 3.68 7.64 0.37 -0.92 113.62 133.05 1m9l n SER 76 Ca -0.08 -3.52 0.00 0.00 1.01 0.00 0.00 58.87 56.27 1m9l n SER 76 Cb 0.46 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1m9l n SER 76 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1m9l n LEU 77 N 0.61 0.00 0.00 -3.43 7.94 -0.09 -1.53 117.00 120.51 1m9l n LEU 77 Ca 0.31 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.21 1m9l n LEU 77 Cb 0.37 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.32 1m9l n LEU 77 CO 0.48 -0.24 0.00 0.61 -1.11 0.00 0.00 177.39 177.13 1m9l n GLY 78 N 5.00 -1.50 3.51 -3.96 0.00 -1.25 -4.57 105.19 102.43 1m9l n GLY 78 Ca 0.00 0.54 -0.38 0.00 0.00 0.00 0.00 46.02 46.18 1m9l n GLY 78 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1m9l s ARG 79 N 0.00 3.71 0.12 1.61 3.00 0.34 -0.07 118.95 127.66 1m9l s ARG 79 Ca 0.00 -0.47 -0.15 0.00 -1.00 0.00 0.00 55.73 54.11 1m9l s ARG 79 Cb 0.00 -3.55 0.03 0.00 0.00 0.00 0.00 34.95 31.43 1m9l s ARG 79 CO 0.00 -0.25 0.38 0.54 0.00 0.00 0.00 175.30 175.97 1m9l s ASN 80 N 1.69 -0.18 -0.08 -2.12 2.20 -0.17 -1.51 114.94 114.76 1m9l s ASN 80 Ca 0.06 -0.38 0.02 0.00 -0.94 0.00 0.00 52.86 51.62 1m9l s ASN 80 Cb -0.16 0.46 0.02 0.00 -2.00 0.00 0.00 41.25 39.56 1m9l s ASN 80 CO 0.08 -0.84 -0.11 -0.76 -2.94 0.00 0.00 177.10 172.52 1m9l s LEU 81 N -2.82 1.53 -0.02 3.54 1.02 -0.62 -1.16 118.68 120.16 1m9l s LEU 81 Ca 0.04 -0.30 0.03 0.00 0.02 0.00 0.00 54.13 53.92 1m9l s LEU 81 Cb 0.02 -0.83 -0.00 0.00 0.02 0.00 0.00 46.19 45.39 1m9l s LEU 81 CO -0.11 -0.01 -0.11 -0.63 0.02 0.00 0.00 176.35 175.51 1m9l s ILE 82 N 0.94 0.87 0.06 -0.59 1.01 -0.50 -0.48 121.20 122.51 1m9l s ILE 82 Ca -0.09 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.11 1m9l s ILE 82 Cb -0.15 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.58 1m9l s ILE 82 CO 0.00 0.25 0.00 0.29 0.00 0.00 0.00 174.94 175.49 1m9l n LYS 83 N 2.96 0.00 0.00 2.79 5.02 -1.25 -4.03 118.16 123.65 1m9l n LYS 83 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 1m9l n LYS 83 Cb 0.55 -0.47 0.00 0.00 -0.02 0.00 0.00 35.03 35.10 1m9l n LYS 83 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1m9l n LYS 84 N -3.26 3.43 -3.30 1.97 4.76 -1.26 -4.50 118.16 116.00 1m9l n LYS 84 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 1m9l n LYS 84 Cb 0.21 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.35 1m9l n LYS 84 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 1m9l s ILE 85 N 1.33 -0.79 0.22 -0.18 -1.16 -1.26 -4.72 121.20 114.64 1m9l s ILE 85 Ca 0.00 -0.02 0.00 0.00 -0.51 0.00 0.00 60.65 60.12 1m9l s ILE 85 Cb 0.00 -0.89 0.00 0.00 0.61 0.00 0.00 42.46 42.18 1m9l s ILE 85 CO 0.00 -0.06 0.00 1.21 -2.81 0.00 0.00 174.94 173.28 1m9l n GLU 86 N 5.40 0.00 0.20 3.50 2.13 -1.26 -4.93 120.64 125.68 1m9l n GLU 86 Ca -0.03 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.89 1m9l n GLU 86 Cb 0.50 0.00 0.14 0.00 0.27 0.00 0.00 31.44 32.35 1m9l n GLU 86 CO 0.00 0.00 0.00 -2.95 -0.41 0.00 0.00 177.13 173.77 1m9l h ASN 87 N 0.00 0.00 -0.64 4.31 -1.07 -1.94 -3.30 115.58 112.94 1m9l h ASN 87 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.36 1m9l h ASN 87 Cb 0.00 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.22 1m9l h ASN 87 CO 0.00 0.10 0.35 -0.07 0.07 0.00 0.00 177.43 177.88 1m9l h LEU 88 N 0.00 0.79 -1.19 6.14 3.38 -1.92 -1.52 115.31 120.99 1m9l h LEU 88 Ca -0.00 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1m9l h LEU 88 Cb 1.08 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 1m9l h LEU 88 CO 0.01 0.65 0.53 0.44 0.09 0.00 0.00 178.44 180.16 1m9l h ASP 89 N 0.87 0.94 0.08 -0.43 3.32 -1.90 -0.12 116.42 119.16 1m9l h ASP 89 Ca 0.22 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 1m9l h ASP 89 Cb 0.03 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.35 1m9l h ASP 89 CO -0.04 0.69 -0.04 0.00 -1.72 0.00 0.00 179.24 178.13 1m9l h ALA 90 N 1.48 -0.10 -0.83 3.45 0.00 -1.56 0.69 119.26 122.39 1m9l h ALA 90 Ca 0.30 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1m9l h ALA 90 Cb -0.11 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1m9l h ALA 90 CO -0.06 -0.25 0.53 -0.39 0.00 0.00 0.00 179.25 179.08 1m9l h VAL 91 N -0.71 1.12 -0.55 0.00 -1.51 -1.27 -0.71 116.25 112.63 1m9l h VAL 91 Ca -0.01 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 1m9l h VAL 91 Cb 0.57 0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 29.71 1m9l h VAL 91 CO 0.02 0.19 0.34 0.00 -1.23 0.00 0.00 177.57 176.88 1m9l h ALA 92 N 1.35 1.57 -0.31 5.19 0.00 -0.98 0.38 119.26 126.46 1m9l h ALA 92 Ca 0.33 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 55.01 1m9l h ALA 92 Cb 0.02 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1m9l h ALA 92 CO -0.12 0.38 -0.50 -0.44 0.00 0.00 0.00 179.25 178.57 1m9l h ASP 93 N 0.75 0.95 0.00 0.00 3.32 0.59 -3.43 116.42 118.60 1m9l h ASP 93 Ca 0.20 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1m9l h ASP 93 Cb -0.05 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.23 1m9l h ASP 93 CO -0.04 1.28 -0.23 1.07 -1.72 0.00 0.00 179.24 179.61 1m9l n THR 94 N -4.02 0.00 -1.22 0.35 5.66 -0.66 -5.09 114.28 109.30 1m9l n THR 94 Ca -0.04 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.63 1m9l n THR 94 Cb 0.60 -0.14 0.11 0.00 -1.55 0.00 0.00 70.33 69.36 1m9l n THR 94 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1m9l s LEU 95 N -1.42 3.19 -0.01 1.09 0.20 0.13 -4.91 118.68 116.94 1m9l s LEU 95 Ca 0.00 2.33 -0.01 0.00 0.69 0.00 0.00 54.13 57.15 1m9l s LEU 95 Cb 0.00 -4.59 -0.01 0.00 -0.43 0.00 0.00 46.19 41.17 1m9l s LEU 95 CO 0.00 -2.51 -0.02 1.21 -0.29 0.00 0.00 176.35 174.74 1m9l n GLU 96 N -3.13 0.03 -3.61 1.98 2.13 -1.20 -4.62 120.64 112.21 1m9l n GLU 96 Ca 0.13 0.01 -0.38 0.00 0.66 0.00 0.00 57.16 57.58 1m9l n GLU 96 Cb 0.51 -0.58 -0.07 0.00 0.27 0.00 0.00 31.44 31.57 1m9l n GLU 96 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1m9l s GLU 97 N -2.02 3.07 -1.14 5.31 2.02 -0.48 -1.64 118.70 123.80 1m9l s GLU 97 Ca -0.02 -2.85 -0.19 0.00 0.02 0.00 0.00 54.97 51.93 1m9l s GLU 97 Cb 0.01 -3.96 0.09 0.00 0.10 0.00 0.00 34.13 30.37 1m9l s GLU 97 CO 0.02 -1.23 1.50 -0.51 0.02 0.00 0.00 175.26 175.07 1m9l s LEU 98 N -0.60 4.13 -0.60 1.80 1.43 -0.42 -1.50 118.68 122.92 1m9l s LEU 98 Ca 0.22 -2.17 -0.17 0.00 -1.03 0.00 0.00 54.13 50.97 1m9l s LEU 98 Cb -0.13 -2.52 0.13 0.00 0.03 0.00 0.00 46.19 43.69 1m9l s LEU 98 CO -0.08 -1.19 0.63 0.26 0.23 0.00 0.00 176.35 176.21 1m9l s TRP 99 N 3.77 3.18 -0.35 0.29 0.51 -0.10 -1.13 118.94 125.12 1m9l s TRP 99 Ca 0.46 -1.22 0.15 0.00 -2.12 0.00 0.00 56.10 53.38 1m9l s TRP 99 Cb 0.00 -3.91 0.45 0.00 -0.81 0.00 0.00 33.47 29.20 1m9l s TRP 99 CO -0.02 -1.15 0.98 0.44 -0.51 0.00 0.00 176.95 176.69 1m9l n ILE 100 N 5.27 1.27 0.00 2.03 -5.35 -0.64 -0.91 119.36 121.03 1m9l n ILE 100 Ca -0.08 -3.55 0.00 0.00 -0.27 0.00 0.00 62.75 58.84 1m9l n ILE 100 Cb 0.42 0.18 0.00 0.00 -1.74 0.00 0.00 39.64 38.50 1m9l n ILE 100 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1m9l n SER 101 N -0.14 0.00 -4.22 7.28 7.64 -1.23 -3.44 113.62 119.51 1m9l n SER 101 Ca 0.16 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.63 1m9l n SER 101 Cb 0.77 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.89 1m9l n SER 101 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1m9l s TYR 102 N -3.29 3.41 0.02 1.43 5.04 0.91 -0.72 117.35 124.13 1m9l s TYR 102 Ca 0.00 -1.80 0.05 0.00 -2.44 0.00 0.00 57.07 52.88 1m9l s TYR 102 Cb 0.00 -3.45 -0.02 0.00 0.35 0.00 0.00 41.96 38.84 1m9l s TYR 102 CO 0.00 -0.98 -0.16 0.54 -1.34 0.00 0.00 175.55 173.62 1m9l s ASN 103 N 2.66 1.83 -0.15 4.32 2.20 -0.46 -1.00 114.94 124.34 1m9l s ASN 103 Ca 0.05 -0.38 -0.00 0.00 -0.94 0.00 0.00 52.86 51.59 1m9l s ASN 103 Cb -0.26 -0.16 -0.01 0.00 -2.00 0.00 0.00 41.25 38.82 1m9l s ASN 103 CO -0.00 0.12 -0.13 -1.10 -2.94 0.00 0.00 177.10 173.05 1m9l s GLN 104 N -0.77 3.31 0.27 3.55 -0.21 -0.31 -1.16 119.66 124.34 1m9l s GLN 104 Ca 0.04 -0.70 -0.06 0.00 0.02 0.00 0.00 55.36 54.66 1m9l s GLN 104 Cb -0.07 -2.68 0.02 0.00 1.00 0.00 0.00 33.01 31.28 1m9l s GLN 104 CO 0.00 0.07 0.46 1.51 -2.12 0.00 0.00 175.29 175.21 1m9l n ILE 105 N 3.94 0.00 -0.67 1.08 3.06 -0.76 -1.42 119.36 124.60 1m9l n ILE 105 Ca -0.19 -0.98 0.00 0.00 -2.50 0.00 0.00 62.75 59.08 1m9l n ILE 105 Cb 0.52 0.74 0.00 0.00 0.54 0.00 0.00 39.64 41.44 1m9l n ILE 105 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1m9l n ALA 106 N -1.31 0.00 -2.68 1.51 0.00 -1.26 -4.48 120.51 112.29 1m9l n ALA 106 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 1m9l n ALA 106 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 1m9l n ALA 106 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1m9l s SER 107 N 0.00 7.22 0.08 0.00 1.04 -1.26 -4.98 113.70 115.80 1m9l s SER 107 Ca 0.00 1.50 -0.29 0.00 0.48 0.00 0.00 55.95 57.64 1m9l s SER 107 Cb 0.00 -2.55 -0.17 0.00 0.10 0.00 0.00 66.02 63.40 1m9l s SER 107 CO 0.00 -0.47 1.67 -0.07 0.98 0.00 0.00 173.24 175.35 1m9l h LEU 108 N 8.19 -0.49 -1.36 2.42 3.38 -1.99 -1.58 115.31 123.88 1m9l h LEU 108 Ca -0.29 0.02 0.08 0.00 0.09 0.00 0.00 57.88 57.78 1m9l h LEU 108 Cb 1.14 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.96 1m9l h LEU 108 CO 0.87 -0.35 0.50 0.77 0.09 0.00 0.00 178.44 180.32 1m9l h SER 109 N -0.57 0.66 0.88 -0.43 4.64 -1.98 0.08 113.55 116.82 1m9l h SER 109 Ca -0.06 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 1m9l h SER 109 Cb 0.44 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1m9l h SER 109 CO 0.09 0.41 -0.42 1.23 -0.87 0.00 0.00 176.83 177.27 1m9l h GLY 110 N 0.74 -1.23 1.60 -0.77 0.00 -1.80 -1.74 103.07 99.86 1m9l h GLY 110 Ca 0.34 0.45 -0.00 0.00 0.00 0.00 0.00 47.33 48.13 1m9l h GLY 110 CO -0.12 -0.45 0.24 0.16 0.00 0.00 0.00 176.54 176.37 1m9l h ILE 111 N -1.19 1.12 -0.03 2.60 -0.00 -1.09 -1.35 117.51 117.57 1m9l h ILE 111 Ca -0.12 -0.25 0.02 0.00 -0.00 0.00 0.00 64.86 64.51 1m9l h ILE 111 Cb 0.90 0.55 -0.03 0.00 -0.00 0.00 0.00 36.82 38.24 1m9l h ILE 111 CO 0.20 0.12 -0.11 -0.08 -0.00 0.00 0.00 178.15 178.27 1m9l h GLU 112 N 0.55 -0.18 0.38 0.16 4.81 -0.80 -0.21 114.58 119.30 1m9l h GLU 112 Ca 0.15 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1m9l h GLU 112 Cb -0.02 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1m9l h GLU 112 CO -0.03 -0.12 -0.18 0.87 -0.73 0.00 0.00 179.01 178.82 1m9l h LYS 113 N -0.18 -0.50 -0.10 1.92 1.79 -0.86 -0.29 116.57 118.34 1m9l h LYS 113 Ca 0.05 0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.59 1m9l h LYS 113 Cb 0.25 0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1m9l h LYS 113 CO -0.14 -0.33 0.08 1.37 -1.08 0.00 0.00 179.45 179.35 1m9l h LEU 114 N -0.90 0.00 0.18 2.94 8.10 -1.33 -0.72 115.31 123.58 1m9l h LEU 114 Ca -0.05 0.00 -0.32 0.00 0.11 0.00 0.00 57.88 57.61 1m9l h LEU 114 Cb 0.40 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.63 1m9l h LEU 114 CO 0.09 0.00 -1.54 0.58 -4.11 0.00 0.00 178.44 173.46 1m9l h VAL 115 N 0.00 1.18 -0.39 0.15 2.07 -1.12 -3.24 116.25 114.90 1m9l h VAL 115 Ca 0.05 -2.74 0.11 0.00 0.82 0.00 0.00 66.70 64.95 1m9l h VAL 115 Cb 0.20 2.87 -0.02 0.00 -1.52 0.00 0.00 31.29 32.82 1m9l h VAL 115 CO -0.00 0.84 0.40 -1.13 0.02 0.00 0.00 177.57 177.70 1m9l h ASN 116 N 0.10 0.00 -1.42 0.57 -1.24 0.38 -3.43 115.58 110.54 1m9l h ASN 116 Ca -0.26 0.00 -0.22 0.00 0.71 0.00 0.00 56.30 56.53 1m9l h ASN 116 Cb 2.08 0.00 0.12 0.00 0.73 0.00 0.00 38.32 41.25 1m9l h ASN 116 CO 0.20 0.00 -0.80 -0.11 -1.29 0.00 0.00 177.43 175.43 1m9l n LEU 117 N -3.81 -2.04 -0.02 0.34 0.00 -0.60 -4.88 117.00 106.00 1m9l n LEU 117 Ca 0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 56.01 55.94 1m9l n LEU 117 Cb 0.57 -0.62 -0.00 0.00 0.00 0.00 0.00 43.42 43.37 1m9l n LEU 117 CO 0.29 -2.61 -0.00 0.03 0.00 0.00 0.00 177.39 175.09 1m9l h ARG 118 N -2.01 0.00 -4.69 1.96 3.08 -1.82 -3.42 114.38 107.49 1m9l h ARG 118 Ca -0.21 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.25 1m9l h ARG 118 Cb 0.68 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 30.37 1m9l h ARG 118 CO 0.13 0.00 -0.83 0.54 -1.07 0.00 0.00 179.97 178.74 1m9l s VAL 119 N -1.21 1.52 -0.03 2.04 0.11 -0.65 -1.70 120.40 120.48 1m9l s VAL 119 Ca -0.00 -0.63 0.01 0.00 -2.93 0.00 0.00 61.98 58.43 1m9l s VAL 119 Cb 0.00 -1.41 0.02 0.00 -1.53 0.00 0.00 36.38 33.45 1m9l s VAL 119 CO 0.00 0.45 -0.03 -1.48 -3.33 0.00 0.00 175.10 170.71 1m9l s LEU 120 N 1.26 1.44 -0.15 2.54 2.34 -0.67 -1.30 118.68 124.15 1m9l s LEU 120 Ca -0.00 -0.08 0.01 0.00 0.06 0.00 0.00 54.13 54.12 1m9l s LEU 120 Cb -0.14 -0.31 0.02 0.00 -0.56 0.00 0.00 46.19 45.20 1m9l s LEU 120 CO -0.06 -0.04 -0.18 -0.31 -1.06 0.00 0.00 176.35 174.69 1m9l s TYR 121 N 0.69 2.47 -0.34 3.48 2.02 -0.28 -1.57 117.35 123.82 1m9l s TYR 121 Ca -0.08 -1.37 0.02 0.00 -0.37 0.00 0.00 57.07 55.27 1m9l s TYR 121 Cb -0.11 -1.74 0.15 0.00 -0.40 0.00 0.00 41.96 39.86 1m9l s TYR 121 CO -0.01 -0.68 0.34 0.00 -1.57 0.00 0.00 175.55 173.63 1m9l s MET 122 N 1.20 0.53 0.28 -0.62 0.23 -0.01 -1.63 119.30 119.29 1m9l s MET 122 Ca 0.01 -0.65 0.26 0.00 -1.03 0.00 0.00 55.69 54.28 1m9l s MET 122 Cb -0.14 -0.72 0.82 0.00 -1.53 0.00 0.00 34.83 33.26 1m9l s MET 122 CO -0.08 -1.14 1.75 0.66 -2.03 0.00 0.00 175.02 174.18 1m9l h SER 123 N 7.45 0.00 -3.39 -1.18 4.64 -1.61 0.41 113.55 119.87 1m9l h SER 123 Ca -0.01 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.95 1m9l h SER 123 Cb 1.06 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.78 1m9l h SER 123 CO 0.25 0.00 -0.74 0.20 -0.87 0.00 0.00 176.83 175.66 1m9l s ASN 124 N -4.78 0.80 0.31 4.97 0.01 0.10 -1.37 114.94 114.98 1m9l s ASN 124 Ca 0.08 0.03 -0.14 0.00 -0.71 0.00 0.00 52.86 52.12 1m9l s ASN 124 Cb 0.10 -0.18 0.02 0.00 0.41 0.00 0.00 41.25 41.60 1m9l s ASN 124 CO 0.56 -0.18 0.63 0.54 -1.51 0.00 0.00 177.10 177.14 1m9l s ASN 125 N 1.65 0.05 -0.28 -1.22 2.20 0.13 -1.35 114.94 116.12 1m9l s ASN 125 Ca -0.01 -0.99 -0.00 0.00 -0.94 0.00 0.00 52.86 50.91 1m9l s ASN 125 Cb -0.13 0.71 0.09 0.00 -2.00 0.00 0.00 41.25 39.92 1m9l s ASN 125 CO -0.03 -1.38 0.05 -0.54 -2.94 0.00 0.00 177.10 172.26 1m9l s LYS 126 N -3.35 0.97 -0.16 3.55 1.02 -0.31 -3.98 119.74 117.48 1m9l s LYS 126 Ca 0.19 -1.07 -0.11 0.00 0.02 0.00 0.00 55.97 55.00 1m9l s LYS 126 Cb -0.03 -2.28 0.05 0.00 -0.52 0.00 0.00 37.83 35.05 1m9l s LYS 126 CO 0.11 -0.86 0.41 0.42 -0.92 0.00 0.00 175.35 174.51 1m9l s ILE 127 N 1.52 -0.02 0.00 2.17 1.01 -1.26 -1.82 121.20 122.79 1m9l s ILE 127 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.76 1m9l s ILE 127 Cb -0.18 -0.60 0.00 0.00 0.01 0.00 0.00 42.46 41.69 1m9l s ILE 127 CO -0.17 0.02 0.11 0.35 0.00 0.00 0.00 174.94 175.26 1m9l n THR 128 N 3.77 0.00 -0.92 2.92 -2.24 -1.26 -1.76 114.28 114.78 1m9l n THR 128 Ca -0.20 -0.14 -0.10 0.00 -2.27 0.00 0.00 64.05 61.35 1m9l n THR 128 Cb 0.56 1.60 -0.14 0.00 -2.10 0.00 0.00 70.33 70.25 1m9l n THR 128 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1m9l n ASN 129 N -0.05 5.24 -0.32 3.42 4.13 -1.26 -4.63 115.26 121.79 1m9l n ASN 129 Ca 0.00 -2.46 0.14 0.00 1.68 0.00 0.00 54.58 53.94 1m9l n ASN 129 Cb 0.15 -1.37 0.30 0.00 -1.54 0.00 0.00 39.78 37.32 1m9l n ASN 129 CO 0.00 0.00 0.00 -0.25 0.28 0.00 0.00 177.26 177.29 1m9l h TRP 130 N 2.70 0.08 -0.75 3.10 7.01 -1.93 0.14 115.95 126.29 1m9l h TRP 130 Ca 0.16 0.06 0.25 0.00 2.11 0.00 0.00 58.89 61.48 1m9l h TRP 130 Cb 1.43 0.12 -0.14 0.00 -2.10 0.00 0.00 29.16 28.47 1m9l h TRP 130 CO 1.54 -0.38 0.18 0.41 -2.79 0.00 0.00 178.44 177.41 1m9l n GLY 131 N -1.45 -0.83 0.87 2.65 0.00 -1.26 -1.54 105.19 103.63 1m9l n GLY 131 Ca 0.23 0.68 -0.02 0.00 0.00 0.00 0.00 46.02 46.91 1m9l n GLY 131 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1m9l n GLU 132 N -4.89 0.09 -0.24 1.61 4.71 -0.57 -4.81 120.64 116.54 1m9l n GLU 132 Ca 0.22 0.04 0.22 0.00 -0.01 0.00 0.00 57.16 57.63 1m9l n GLU 132 Cb 0.74 -0.63 0.41 0.00 -1.01 0.00 0.00 31.44 30.95 1m9l n GLU 132 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1m9l n ILE 133 N -3.60 -0.32 -0.05 -3.67 5.41 0.38 -1.56 119.36 115.95 1m9l n ILE 133 Ca -0.02 1.55 -0.03 0.00 1.00 0.00 0.00 62.75 65.25 1m9l n ILE 133 Cb 0.09 -2.48 -0.02 0.00 -0.71 0.00 0.00 39.64 36.52 1m9l n ILE 133 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1m9l h ASP 134 N 0.00 -0.43 0.04 4.38 3.58 -1.46 -0.05 116.42 122.49 1m9l h ASP 134 Ca 0.62 0.06 -0.09 0.00 0.42 0.00 0.00 57.03 58.03 1m9l h ASP 134 Cb 1.59 0.18 0.01 0.00 1.72 0.00 0.00 39.33 42.83 1m9l h ASP 134 CO -0.60 -0.07 -0.39 0.11 -2.88 0.00 0.00 179.24 175.40 1m9l h LYS 135 N -0.06 0.19 -0.63 0.28 1.79 -1.73 -3.33 116.57 113.08 1m9l h LYS 135 Ca 0.02 -0.26 0.18 0.00 -2.18 0.00 0.00 60.65 58.41 1m9l h LYS 135 Cb 0.11 0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.83 1m9l h LYS 135 CO -0.16 1.05 0.92 1.25 -1.08 0.00 0.00 179.45 181.43 1m9l h LEU 136 N -0.54 0.00 -3.06 2.94 5.85 -1.19 -1.89 115.31 117.42 1m9l h LEU 136 Ca -0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1m9l h LEU 136 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1m9l h LEU 136 CO 0.08 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.18 1m9l n ALA 137 N -2.12 3.51 -3.71 1.25 0.00 -0.04 -4.60 120.51 114.80 1m9l n ALA 137 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.29 1m9l n ALA 137 Cb 1.12 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 19.42 1m9l n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m9l n ALA 138 N 1.50 -1.14 0.35 0.00 0.00 -0.91 -4.64 120.51 115.65 1m9l n ALA 138 Ca 0.00 0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.59 1m9l n ALA 138 Cb 0.42 -3.12 0.43 0.00 0.00 0.00 0.00 19.45 17.19 1m9l n ALA 138 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1m9l n LEU 139 N -4.01 0.46 -1.12 0.00 7.94 -0.76 -1.73 117.00 117.77 1m9l n LEU 139 Ca 0.03 0.63 0.11 0.00 -1.11 0.00 0.00 56.01 55.67 1m9l n LEU 139 Cb 0.52 -0.60 0.27 0.00 0.53 0.00 0.00 43.42 44.14 1m9l n LEU 139 CO 0.65 -0.56 0.73 0.47 -1.11 0.00 0.00 177.39 177.57 1m9l n ASP 140 N -2.03 3.30 0.00 1.96 8.00 -1.26 -4.76 116.55 121.75 1m9l n ASP 140 Ca 0.02 -1.97 0.00 0.00 0.71 0.00 0.00 54.79 53.54 1m9l n ASP 140 Cb 0.16 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 1m9l n ASP 140 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1m9l n LYS 141 N 1.33 0.00 -0.52 -1.24 2.85 -1.03 -4.85 118.16 114.71 1m9l n LYS 141 Ca 0.20 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.29 1m9l n LYS 141 Cb 0.55 -0.01 -0.01 0.00 -0.65 0.00 0.00 35.03 34.90 1m9l n LYS 141 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1m9l n LEU 142 N -2.41 -0.71 0.00 -5.58 0.00 -0.71 -1.55 117.00 106.04 1m9l n LEU 142 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 56.01 56.39 1m9l n LEU 142 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 43.42 43.07 1m9l n LEU 142 CO 0.00 -1.31 0.00 -0.62 0.00 0.00 0.00 177.39 175.46 1m9l n GLU 143 N 0.43 0.00 -3.82 1.96 4.71 -1.26 -3.38 120.64 119.29 1m9l n GLU 143 Ca 0.06 0.27 -0.36 0.00 -0.01 0.00 0.00 57.16 57.12 1m9l n GLU 143 Cb 0.12 -0.74 -0.12 0.00 -1.01 0.00 0.00 31.44 29.69 1m9l n GLU 143 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1m9l s ASP 144 N -2.66 5.15 -0.29 1.62 1.01 -0.69 -1.50 116.67 119.30 1m9l s ASP 144 Ca 0.00 -1.69 0.02 0.00 0.71 0.00 0.00 52.55 51.58 1m9l s ASP 144 Cb 0.00 -1.80 0.08 0.00 1.01 0.00 0.00 42.92 42.22 1m9l s ASP 144 CO 0.00 -0.43 0.02 -1.48 0.21 0.00 0.00 175.17 173.49 1m9l s LEU 145 N 1.20 3.30 -0.30 1.23 2.34 -0.60 -1.66 118.68 124.20 1m9l s LEU 145 Ca 0.03 -1.65 -0.05 0.00 0.06 0.00 0.00 54.13 52.52 1m9l s LEU 145 Cb -0.21 -1.28 0.03 0.00 -0.56 0.00 0.00 46.19 44.17 1m9l s LEU 145 CO -0.02 -0.33 0.05 -0.22 -1.06 0.00 0.00 176.35 174.76 1m9l s LEU 146 N 1.26 3.88 -0.43 1.48 2.96 -0.61 -0.56 118.68 126.67 1m9l s LEU 146 Ca 0.04 -0.96 0.07 0.00 -0.22 0.00 0.00 54.13 53.05 1m9l s LEU 146 Cb -0.19 -1.81 0.22 0.00 0.50 0.00 0.00 46.19 44.92 1m9l s LEU 146 CO -0.12 -0.23 0.58 0.00 -1.32 0.00 0.00 176.35 175.26 1m9l n LEU 147 N 4.77 -0.97 -4.98 -0.68 -0.00 -1.25 -0.83 117.00 113.07 1m9l n LEU 147 Ca -0.14 -4.16 -0.22 0.00 -0.00 0.00 0.00 56.01 51.49 1m9l n LEU 147 Cb 0.46 0.67 0.03 0.00 -0.00 0.00 0.00 43.42 44.58 1m9l n LEU 147 CO 0.30 2.00 0.22 0.00 -0.00 0.00 0.00 177.39 179.90 1m9l s ALA 148 N -0.32 4.57 -0.74 1.47 0.00 0.14 -4.74 121.76 122.14 1m9l s ALA 148 Ca 0.33 -1.81 -0.02 0.00 0.00 0.00 0.00 51.96 50.46 1m9l s ALA 148 Cb 0.14 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 22.06 1m9l s ALA 148 CO -0.15 -0.65 0.63 0.41 0.00 0.00 0.00 175.76 175.99 1m9l n GLY 149 N -2.02 0.00 3.50 0.00 0.00 -0.47 -2.23 105.19 103.98 1m9l n GLY 149 Ca 0.09 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 1m9l n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m9l s ASN 150 N -3.60 -0.63 0.12 1.61 2.20 -1.26 -0.69 114.94 112.70 1m9l s ASN 150 Ca 0.12 0.74 -0.25 0.00 -0.94 0.00 0.00 52.86 52.52 1m9l s ASN 150 Cb -0.05 0.61 -0.07 0.00 -2.00 0.00 0.00 41.25 39.75 1m9l s ASN 150 CO 0.43 -0.56 1.43 -0.65 -2.94 0.00 0.00 177.10 174.81 1m9l h PRO 151 N 3.29 -0.10 0.00 3.55 0.11 -1.79 -0.96 132.00 136.10 1m9l h PRO 151 Ca -0.27 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1m9l h PRO 151 Cb 1.15 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1m9l h PRO 151 CO 0.36 -0.07 0.00 -0.11 -0.21 0.00 0.00 178.00 177.97 1m9l n LEU 152 N -4.80 0.00 0.02 2.35 -0.00 -0.72 0.27 117.00 114.12 1m9l n LEU 152 Ca 0.00 0.65 -0.10 0.00 -0.00 0.00 0.00 56.01 56.56 1m9l n LEU 152 Cb 0.23 -0.32 -0.04 0.00 -0.00 0.00 0.00 43.42 43.29 1m9l n LEU 152 CO -0.08 -0.32 0.78 0.22 -0.00 0.00 0.00 177.39 177.98 1m9l h TYR 153 N 0.00 -0.32 0.00 1.96 3.20 -1.79 -1.86 116.97 118.17 1m9l h TYR 153 Ca 0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1m9l h TYR 153 Cb 0.00 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.42 1m9l h TYR 153 CO -0.60 -0.19 -0.05 -0.91 -1.64 0.00 0.00 178.16 174.76 1m9l h ASN 154 N -0.18 0.00 0.02 -2.11 4.21 -0.53 -1.60 115.58 115.39 1m9l h ASN 154 Ca 0.07 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.53 1m9l h ASN 154 Cb 0.27 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.48 1m9l h ASN 154 CO -0.18 0.05 -0.20 0.44 -1.29 0.00 0.00 177.43 176.26 1m9l h ASP 155 N 0.00 0.14 -0.02 5.81 3.32 0.59 -3.26 116.42 123.00 1m9l h ASP 155 Ca -0.00 -0.87 0.03 0.00 0.02 0.00 0.00 57.03 56.21 1m9l h ASP 155 Cb 0.18 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.63 1m9l h ASP 155 CO 0.01 1.00 -0.50 0.22 -1.72 0.00 0.00 179.24 178.25 1m9l h TYR 156 N -0.69 -1.44 0.00 4.55 3.20 -0.97 -3.47 116.97 118.15 1m9l h TYR 156 Ca -0.03 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1m9l h TYR 156 Cb 1.04 0.63 0.00 0.00 1.54 0.00 0.00 36.73 39.94 1m9l h TYR 156 CO 0.22 -0.55 0.00 1.63 -1.64 0.00 0.00 178.16 177.82 1m9l n LYS 157 N -5.46 0.00 -0.17 1.82 4.76 -0.64 -4.56 118.16 113.92 1m9l n LYS 157 Ca -0.07 0.00 0.16 0.00 -2.87 0.00 0.00 58.31 55.54 1m9l n LYS 157 Cb 0.39 0.00 0.25 0.00 -1.84 0.00 0.00 35.03 33.83 1m9l n LYS 157 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1m9l n GLU 158 N 0.00 0.00 -0.67 1.97 0.28 -1.19 -1.24 120.64 119.80 1m9l n GLU 158 Ca 0.00 0.48 0.00 0.00 -0.16 0.00 0.00 57.16 57.48 1m9l n GLU 158 Cb 0.00 -1.17 -0.00 0.00 1.43 0.00 0.00 31.44 31.70 1m9l n GLU 158 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1m9l n ASN 159 N -2.39 0.09 0.00 -1.84 4.13 -1.26 -4.72 115.26 109.27 1m9l n ASN 159 Ca 0.14 -1.77 0.00 0.00 1.68 0.00 0.00 54.58 54.63 1m9l n ASN 159 Cb 0.78 -0.14 0.00 0.00 -1.54 0.00 0.00 39.78 38.88 1m9l n ASN 159 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1m9l n ASN 160 N 0.07 0.35 -0.04 6.41 2.85 -0.37 -4.70 115.26 119.83 1m9l n ASN 160 Ca -0.01 0.00 0.02 0.00 -0.11 0.00 0.00 54.58 54.48 1m9l n ASN 160 Cb 0.72 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.59 1m9l n ASN 160 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1m9l n ALA 161 N -1.67 2.24 -0.03 5.20 0.00 -0.52 -3.50 120.51 122.24 1m9l n ALA 161 Ca 0.00 -0.77 -0.13 0.00 0.00 0.00 0.00 53.44 52.54 1m9l n ALA 161 Cb 0.05 -0.45 -0.09 0.00 0.00 0.00 0.00 19.45 18.96 1m9l n ALA 161 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1m9l h THR 162 N 0.00 1.36 -0.38 0.00 2.02 -1.71 -0.56 112.91 113.65 1m9l h THR 162 Ca -0.20 -1.17 -0.02 0.00 0.77 0.00 0.00 66.41 65.79 1m9l h THR 162 Cb 1.40 2.02 -0.02 0.00 -1.74 0.00 0.00 68.15 69.81 1m9l h THR 162 CO 0.01 0.32 0.17 0.77 0.37 0.00 0.00 175.52 177.16 1m9l h SER 163 N -0.30 0.47 -0.46 4.18 4.64 -1.82 -1.17 113.55 119.09 1m9l h SER 163 Ca 0.01 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.26 1m9l h SER 163 Cb 0.54 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1m9l h SER 163 CO 0.01 0.42 0.16 -0.08 -0.87 0.00 0.00 176.83 176.47 1m9l h GLU 164 N 0.53 0.71 -0.37 4.77 4.81 -1.55 -0.87 114.58 122.61 1m9l h GLU 164 Ca 0.13 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1m9l h GLU 164 Cb 0.08 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1m9l h GLU 164 CO -0.02 0.66 -0.08 1.88 -0.73 0.00 0.00 179.01 180.73 1m9l h TYR 165 N 0.61 0.79 -0.64 0.92 -1.99 -0.40 0.56 116.97 116.82 1m9l h TYR 165 Ca 0.15 -0.17 -0.02 0.00 2.00 0.00 0.00 58.73 60.70 1m9l h TYR 165 Cb 0.24 -0.19 -0.03 0.00 2.00 0.00 0.00 36.73 38.74 1m9l h TYR 165 CO 0.01 0.85 0.32 -0.09 -0.00 0.00 0.00 178.16 179.25 1m9l h ARG 166 N 0.51 0.91 -0.68 4.88 1.12 -1.18 0.36 114.38 120.29 1m9l h ARG 166 Ca 0.10 -0.12 0.03 0.00 -1.11 0.00 0.00 59.98 58.87 1m9l h ARG 166 Cb 0.58 -0.17 -0.04 0.00 -0.01 0.00 0.00 29.97 30.33 1m9l h ARG 166 CO 0.03 0.71 0.43 0.82 -3.11 0.00 0.00 179.97 178.85 1m9l h ILE 167 N 0.87 1.10 0.00 1.20 2.04 -1.02 -0.10 117.51 121.60 1m9l h ILE 167 Ca 0.22 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 1m9l h ILE 167 Cb 0.09 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 1m9l h ILE 167 CO -0.03 0.15 -0.19 -0.08 0.00 0.00 0.00 178.15 178.01 1m9l h GLU 168 N 0.84 0.00 0.00 2.37 4.81 0.02 0.52 114.58 123.14 1m9l h GLU 168 Ca 0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1m9l h GLU 168 Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1m9l h GLU 168 CO -0.10 0.19 0.00 0.28 -0.73 0.00 0.00 179.01 178.64 1m9l n VAL 169 N -3.51 0.00 0.11 0.32 0.31 0.12 -0.54 118.33 115.14 1m9l n VAL 169 Ca -0.01 0.63 0.20 0.00 -0.01 0.00 0.00 64.34 65.14 1m9l n VAL 169 Cb 0.35 -1.29 0.71 0.00 -0.91 0.00 0.00 33.84 32.70 1m9l n VAL 169 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 1m9l h VAL 170 N 0.00 0.26 0.00 2.52 3.04 -1.17 0.15 116.25 121.05 1m9l h VAL 170 Ca 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 66.70 65.56 1m9l h VAL 170 Cb 0.00 0.57 -0.02 0.00 -2.01 0.00 0.00 31.29 29.84 1m9l h VAL 170 CO 0.00 0.00 -1.01 1.17 -1.01 0.00 0.00 177.57 176.72 1m9l n LYS 171 N -3.49 0.51 -0.10 4.17 4.81 0.17 -4.81 118.16 119.42 1m9l n LYS 171 Ca 0.07 0.50 -0.13 0.00 -0.87 0.00 0.00 58.31 57.88 1m9l n LYS 171 Cb 0.67 -1.68 -0.11 0.00 0.02 0.00 0.00 35.03 33.93 1m9l n LYS 171 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1m9l n ARG 172 N -4.50 0.72 -3.90 1.64 1.74 0.30 -4.92 116.66 107.73 1m9l n ARG 172 Ca -0.21 0.09 -0.35 0.00 -0.77 0.00 0.00 57.85 56.61 1m9l n ARG 172 Cb 0.50 -1.43 -0.08 0.00 -1.02 0.00 0.00 32.46 30.42 1m9l n ARG 172 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1m9l s LEU 173 N -6.02 4.06 0.18 0.55 1.43 0.01 -4.99 118.68 113.91 1m9l s LEU 173 Ca -0.24 0.22 0.21 0.00 -1.03 0.00 0.00 54.13 53.28 1m9l s LEU 173 Cb 0.07 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 1m9l s LEU 173 CO 0.55 0.23 1.03 1.55 0.23 0.00 0.00 176.35 179.94 1m9l h PRO 174 N 6.27 0.00 0.00 1.29 0.13 -1.93 -3.40 132.00 134.37 1m9l h PRO 174 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1m9l h PRO 174 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1m9l h PRO 174 CO 0.69 0.10 0.00 0.09 -0.23 0.00 0.00 178.00 178.65 1m9l n ASN 175 N -2.78 0.00 0.00 1.44 4.13 -1.26 -4.91 115.26 111.88 1m9l n ASN 175 Ca -0.02 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.24 1m9l n ASN 175 Cb 0.64 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.88 1m9l n ASN 175 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1m9l n LEU 176 N 0.00 0.00 -0.13 3.41 4.32 -0.60 -4.95 117.00 119.05 1m9l n LEU 176 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 56.01 55.71 1m9l n LEU 176 Cb 0.00 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.70 1m9l n LEU 176 CO 0.00 0.00 -1.36 0.29 -1.22 0.00 0.00 177.39 175.10 1m9l n LYS 177 N 0.00 0.60 -3.80 3.23 5.02 -0.84 -4.84 118.16 117.52 1m9l n LYS 177 Ca 0.00 0.27 -0.35 0.00 -2.02 0.00 0.00 58.31 56.21 1m9l n LYS 177 Cb 0.00 -1.52 -0.11 0.00 -0.02 0.00 0.00 35.03 33.38 1m9l n LYS 177 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1m9l s LYS 178 N -2.50 2.23 -1.24 1.97 -0.14 -0.56 -5.02 119.74 114.48 1m9l s LYS 178 Ca -0.37 -2.30 -0.16 0.00 -1.36 0.00 0.00 55.97 51.78 1m9l s LYS 178 Cb 0.13 -3.58 0.12 0.00 -1.68 0.00 0.00 37.83 32.83 1m9l s LYS 178 CO 0.52 -1.12 1.56 -1.17 -0.76 0.00 0.00 175.35 174.38 1m9l s LEU 179 N 0.30 4.49 0.00 3.17 1.98 -1.26 -1.56 118.68 125.81 1m9l s LEU 179 Ca 0.14 -2.71 0.00 0.00 -2.89 0.00 0.00 54.13 48.67 1m9l s LEU 179 Cb -0.22 -2.48 0.00 0.00 0.66 0.00 0.00 46.19 44.15 1m9l s LEU 179 CO -0.03 -0.95 0.00 -0.67 -1.89 0.00 0.00 176.35 172.80 1m9l n ASP 180 N 6.92 0.00 0.00 3.68 2.03 0.28 -4.68 116.55 124.78 1m9l n ASP 180 Ca 0.42 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.73 1m9l n ASP 180 Cb 0.44 -1.43 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 1m9l n ASP 180 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1m9l n GLY 181 N -2.00 0.06 0.03 0.27 0.00 -1.26 -4.43 105.19 97.86 1m9l n GLY 181 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1m9l n GLY 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1m9l n MET 182 N 0.00 -0.01 -0.39 1.61 2.81 -1.26 -1.63 117.12 118.24 1m9l n MET 182 Ca 0.00 0.13 0.38 0.00 -1.81 0.00 0.00 57.70 56.40 1m9l n MET 182 Cb 0.00 -0.20 0.61 0.00 -0.71 0.00 0.00 33.22 32.92 1m9l n MET 182 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1m9l h PRO 183 N 0.00 0.00 0.00 0.03 0.13 -1.84 -3.27 132.00 127.05 1m9l h PRO 183 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1m9l h PRO 183 Cb 0.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.19 1m9l h PRO 183 CO -0.09 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 179.01 1m9l n VAL 184 N -3.57 0.00 -0.72 1.56 0.24 -0.64 -4.56 118.33 110.63 1m9l n VAL 184 Ca 0.31 0.78 -0.03 0.00 -2.04 0.00 0.00 64.34 63.36 1m9l n VAL 184 Cb 1.67 -1.17 -0.01 0.00 -1.47 0.00 0.00 33.84 32.86 1m9l n VAL 184 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1m9l n ASP 185 N -0.90 -1.81 0.00 -1.34 8.00 -1.24 -1.01 116.55 118.25 1m9l n ASP 185 Ca 0.00 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1m9l n ASP 185 Cb 0.00 -1.64 0.00 0.00 -0.02 0.00 0.00 41.12 39.46 1m9l n ASP 185 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1m9l n VAL 186 N -1.00 0.00 0.06 2.53 3.14 -1.26 -4.91 118.33 116.89 1m9l n VAL 186 Ca -0.03 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.26 1m9l n VAL 186 Cb 0.18 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 32.84 1m9l n VAL 186 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1m9l h ASP 187 N 0.00 0.08 0.38 6.55 3.58 -1.36 -3.09 116.42 122.56 1m9l h ASP 187 Ca 0.00 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1m9l h ASP 187 Cb 0.00 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.02 1m9l h ASP 187 CO 0.00 1.07 0.00 -0.33 -2.88 0.00 0.00 179.24 177.10 1m9l h GLU 188 N 0.01 0.00 -0.02 0.28 4.39 -1.73 0.38 114.58 117.89 1m9l h GLU 188 Ca -0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1m9l h GLU 188 Cb 1.83 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.48 1m9l h GLU 188 CO 0.14 0.00 -0.13 -2.13 -1.16 0.00 0.00 179.01 175.73 1m9l n ARG 189 N -2.63 1.57 0.01 2.33 3.00 -1.17 -3.43 116.66 116.35 1m9l n ARG 189 Ca -0.01 -1.10 -0.00 0.00 -0.00 0.00 0.00 57.85 56.74 1m9l n ARG 189 Cb 0.14 -1.48 -0.00 0.00 0.00 0.00 0.00 32.46 31.12 1m9l n ARG 189 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1m9l n GLU 190 N 0.25 0.03 0.06 -0.14 2.13 0.42 -4.42 120.64 118.96 1m9l n GLU 190 Ca 0.15 0.01 -0.13 0.00 0.66 0.00 0.00 57.16 57.85 1m9l n GLU 190 Cb 0.43 -0.28 -0.09 0.00 0.27 0.00 0.00 31.44 31.78 1m9l n GLU 190 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 1m9l h GLN 191 N -0.05 -0.17 0.00 5.31 4.15 -0.65 -0.25 115.11 123.45 1m9l h GLN 191 Ca 0.00 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1m9l h GLN 191 Cb 0.05 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.78 1m9l h GLN 191 CO 0.00 0.19 -0.04 0.00 -1.93 0.00 0.00 178.83 177.05 1m9l h ALA 192 N 0.24 1.27 0.22 3.38 0.00 -1.61 0.12 119.26 122.88 1m9l h ALA 192 Ca -0.02 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.55 1m9l h ALA 192 Cb 0.43 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.25 1m9l h ALA 192 CO 0.03 0.05 -1.35 -0.97 0.00 0.00 0.00 179.25 177.01 1m9l h ASN 193 N 0.00 0.73 0.02 0.00 -1.24 -1.55 -0.67 115.58 112.88 1m9l h ASN 193 Ca -0.00 -0.93 -0.17 0.00 0.71 0.00 0.00 56.30 55.92 1m9l h ASN 193 Cb 0.15 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 38.95 1m9l h ASN 193 CO 0.01 1.64 -0.57 0.58 -1.29 0.00 0.00 177.43 177.80 1m9l h VAL 194 N 0.01 1.32 -0.05 2.57 2.07 -0.45 -1.32 116.25 120.39 1m9l h VAL 194 Ca -0.24 -1.82 -0.15 0.00 0.82 0.00 0.00 66.70 65.31 1m9l h VAL 194 Cb 2.03 1.79 0.01 0.00 -1.52 0.00 0.00 31.29 33.60 1m9l h VAL 194 CO 0.23 0.57 -0.55 0.00 0.02 0.00 0.00 177.57 177.84 1m9l h ALA 195 N 0.94 0.14 -0.14 1.67 0.00 -0.87 -2.28 119.26 118.72 1m9l h ALA 195 Ca 0.00 -0.54 0.03 0.00 0.00 0.00 0.00 54.91 54.41 1m9l h ALA 195 Cb 1.12 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1m9l h ALA 195 CO 0.11 0.37 -0.05 -0.09 0.00 0.00 0.00 179.25 179.58 1m9l h ARG 196 N 0.02 -0.03 0.00 0.00 2.43 -1.12 -3.44 114.38 112.24 1m9l h ARG 196 Ca -0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1m9l h ARG 196 Cb 1.23 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1m9l h ARG 196 CO 0.11 -0.02 0.00 0.41 -1.51 0.00 0.00 179.97 178.96 1m9l n GLY 197 N -1.19 -1.85 0.00 2.80 0.00 -0.55 -5.04 105.19 99.36 1m9l n GLY 197 Ca -0.03 0.83 0.00 0.00 0.00 0.00 0.00 46.02 46.82 1m9l n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93