#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 0.00 -2.24 3.04 0.00 -1.25 -4.16 120.51 115.89 1m9l n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 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 1.17 0.00 0.00 0.00 177.50 178.67 1m9l n LYS 3 N 0.00 3.21 -3.16 0.00 4.81 -1.26 -3.98 118.16 117.79 1m9l n LYS 3 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.47 1m9l n LYS 3 Cb 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.05 1m9l n LYS 3 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1m9l s ALA 4 N -2.76 -2.46 0.00 3.14 0.00 -1.26 -4.83 121.76 113.59 1m9l s ALA 4 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1m9l s ALA 4 Cb 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.53 1m9l s ALA 4 CO 0.00 -1.92 0.00 0.25 0.00 0.00 0.00 175.76 174.09 1m9l n THR 5 N 5.21 0.00 -3.37 0.00 -2.24 -1.26 -4.50 114.28 108.12 1m9l n THR 5 Ca 0.06 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.55 1m9l n THR 5 Cb 0.55 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.74 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 2.92 5.01 0.07 4.28 -4.23 -1.26 -2.92 115.64 119.51 1m9l s THR 6 Ca 0.00 0.15 -0.29 0.00 -1.18 0.00 0.00 61.69 60.37 1m9l s THR 6 Cb 0.00 -3.70 -0.14 0.00 1.34 0.00 0.00 72.50 70.00 1m9l s THR 6 CO 0.00 -0.25 1.46 -0.29 -0.54 0.00 0.00 174.62 175.00 1m9l h ILE 7 N 1.54 0.00 -0.19 2.99 -0.00 -1.91 0.40 117.51 120.33 1m9l h ILE 7 Ca -0.47 0.00 0.03 0.00 -0.00 0.00 0.00 64.86 64.42 1m9l h ILE 7 Cb 1.18 0.00 -0.07 0.00 -0.00 0.00 0.00 36.82 37.94 1m9l h ILE 7 CO 0.67 0.00 -0.55 0.11 -0.00 0.00 0.00 178.15 178.38 1m9l h LYS 8 N -0.79 -0.53 0.15 2.19 1.57 -1.96 0.80 116.57 118.00 1m9l h LYS 8 Ca -0.04 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1m9l h LYS 8 Cb 0.71 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1m9l h LYS 8 CO -0.09 -0.35 -0.30 -0.44 -0.57 0.00 0.00 179.45 177.69 1m9l h ASP 9 N -0.55 -0.88 -0.77 0.86 3.32 -1.98 -1.92 116.42 114.50 1m9l h ASP 9 Ca 0.04 0.08 0.16 0.00 0.02 0.00 0.00 57.03 57.34 1m9l h ASP 9 Cb 0.67 0.31 -0.15 0.00 0.22 0.00 0.00 39.33 40.38 1m9l h ASP 9 CO -0.47 -0.35 -0.15 0.00 -1.72 0.00 0.00 179.24 176.55 1m9l h ALA 10 N -1.08 0.58 -0.20 3.45 0.00 -0.53 0.28 119.26 121.76 1m9l h ALA 10 Ca -0.02 0.29 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1m9l h ALA 10 Cb 0.46 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1m9l h ALA 10 CO -0.12 -0.42 0.03 0.82 0.00 0.00 0.00 179.25 179.56 1m9l h ILE 11 N 0.02 1.23 -0.36 0.00 2.04 -0.66 0.22 117.51 119.99 1m9l h ILE 11 Ca 0.38 -0.76 -0.07 0.00 1.00 0.00 0.00 64.86 65.41 1m9l h ILE 11 Cb 0.61 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1m9l h ILE 11 CO -0.78 0.23 -0.06 -0.09 0.00 0.00 0.00 178.15 177.45 1m9l h ARG 12 N 0.12 0.60 -0.52 2.37 2.43 -0.66 -1.22 114.38 117.50 1m9l h ARG 12 Ca 0.06 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 59.03 1m9l h ARG 12 Cb 0.33 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1m9l h ARG 12 CO 0.01 0.67 0.17 0.82 -1.51 0.00 0.00 179.97 180.13 1m9l h ILE 13 N 0.56 1.20 -0.04 1.20 2.04 -0.12 0.14 117.51 122.50 1m9l h ILE 13 Ca 0.11 -0.67 -0.16 0.00 1.00 0.00 0.00 64.86 65.14 1m9l h ILE 13 Cb 0.46 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1m9l h ILE 13 CO 0.02 0.26 -0.67 -0.26 0.00 0.00 0.00 178.15 177.50 1m9l h PHE 14 N 0.75 0.26 0.00 1.37 0.04 0.19 0.36 116.94 119.91 1m9l h PHE 14 Ca 0.17 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 1m9l h PHE 14 Cb 0.20 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 38.31 1m9l h PHE 14 CO 0.01 0.80 -0.06 1.49 -0.60 0.00 0.00 178.31 179.96 1m9l h GLU 15 N 0.13 0.00 0.00 1.51 4.81 -0.01 0.32 114.58 121.34 1m9l h GLU 15 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1m9l h GLU 15 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1m9l h GLU 15 CO 0.10 0.06 -0.58 0.39 -0.73 0.00 0.00 179.01 178.25 1m9l n GLU 16 N -3.25 0.31 0.22 1.92 1.02 0.36 -3.34 120.64 117.89 1m9l n GLU 16 Ca -0.01 0.13 -0.09 0.00 -0.02 0.00 0.00 57.16 57.17 1m9l n GLU 16 Cb 0.26 -1.05 -0.04 0.00 -0.02 0.00 0.00 31.44 30.58 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 -0.59 -0.57 -0.96 3.49 2.43 -0.45 -3.12 114.38 114.62 1m9l h ARG 17 Ca 0.00 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1m9l h ARG 17 Cb 0.58 0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 30.21 1m9l h ARG 17 CO 0.00 -0.38 0.63 -0.22 -1.51 0.00 0.00 179.97 178.49 1m9l h LYS 18 N -0.81 1.22 -2.27 0.20 3.11 -1.60 -3.47 116.57 112.95 1m9l h LYS 18 Ca -0.06 -0.07 -0.02 0.00 -2.81 0.00 0.00 60.65 57.68 1m9l h LYS 18 Cb 0.46 -0.28 0.01 0.00 -1.00 0.00 0.00 32.23 31.42 1m9l h LYS 18 CO 0.10 0.81 -0.05 0.45 -2.81 0.00 0.00 179.45 177.95 1m9l n SER 19 N -4.41 -2.01 0.00 4.20 2.88 0.10 -5.01 113.62 109.37 1m9l n SER 19 Ca 0.12 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1m9l n SER 19 Cb 0.05 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 1m9l n SER 19 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1m9l n VAL 20 N -1.22 0.00 -3.91 2.46 0.24 -0.72 -4.92 118.33 110.25 1m9l n VAL 20 Ca -0.02 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 61.98 1m9l n VAL 20 Cb 0.51 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.72 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 0.86 1.39 -0.10 3.34 1.01 -1.26 -4.34 120.40 121.30 1m9l s VAL 21 Ca 0.00 -1.09 -0.10 0.00 0.00 0.00 0.00 61.98 60.78 1m9l s VAL 21 Cb 0.00 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 1m9l s VAL 21 CO 0.00 -0.09 -0.20 0.00 0.00 0.00 0.00 175.10 174.81 1m9l n ALA 22 N 4.73 0.82 -3.97 5.51 0.00 -1.26 -4.06 120.51 122.27 1m9l n ALA 22 Ca -0.12 -0.55 -0.26 0.00 0.00 0.00 0.00 53.44 52.51 1m9l n ALA 22 Cb 0.45 0.03 -0.03 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 -3.70 -2.97 -1.99 0.00 -1.04 -1.26 -1.57 114.28 101.75 1m9l n THR 23 Ca -0.08 -0.51 0.00 0.00 -2.04 0.00 0.00 64.05 61.42 1m9l n THR 23 Cb 0.30 -2.56 0.00 0.00 -1.82 0.00 0.00 70.33 66.25 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 -4.41 -2.47 -1.89 -2.82 2.13 -1.26 -4.86 120.64 105.06 1m9l n GLU 24 Ca -0.31 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.20 1m9l n GLU 24 Cb 0.69 -3.43 0.02 0.00 0.27 0.00 0.00 31.44 28.98 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 -1.50 3.05 0.12 4.31 0.00 -0.61 -4.65 121.76 122.48 1m9l s ALA 25 Ca 0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 51.96 51.65 1m9l s ALA 25 Cb 0.00 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 1m9l s ALA 25 CO 0.00 -0.80 1.53 0.93 0.00 0.00 0.00 175.76 177.41 1m9l h GLU 26 N -0.40 0.75 -5.84 0.00 3.07 -1.88 -3.40 114.58 106.89 1m9l h GLU 26 Ca -0.44 -0.29 -0.60 0.00 -0.50 0.00 0.00 59.36 57.52 1m9l h GLU 26 Cb 1.21 -0.04 -0.12 0.00 -0.84 0.00 0.00 28.75 28.96 1m9l h GLU 26 CO 0.62 0.89 0.63 0.15 -1.40 0.00 0.00 179.01 179.91 1m9l s LYS 27 N -4.78 3.26 -0.28 2.33 1.02 -1.26 0.33 119.74 120.37 1m9l s LYS 27 Ca -0.13 -0.39 0.02 0.00 0.02 0.00 0.00 55.97 55.50 1m9l s LYS 27 Cb 0.10 -4.11 0.08 0.00 -0.52 0.00 0.00 37.83 33.37 1m9l s LYS 27 CO 0.81 -1.66 -0.03 0.08 -0.92 0.00 0.00 175.35 173.64 1m9l s VAL 28 N 4.23 1.91 -0.96 3.17 1.01 -0.67 -4.85 120.40 124.23 1m9l s VAL 28 Ca 0.29 -1.72 -0.22 0.00 0.00 0.00 0.00 61.98 60.34 1m9l s VAL 28 Cb -0.13 -2.22 0.08 0.00 0.00 0.00 0.00 36.38 34.11 1m9l s VAL 28 CO 0.17 -0.29 1.30 -1.61 0.00 0.00 0.00 175.10 174.67 1m9l s GLU 29 N 1.17 3.56 0.00 2.72 8.01 -1.26 -1.42 118.70 131.48 1m9l s GLU 29 Ca -0.00 -1.31 0.00 0.00 0.01 0.00 0.00 54.97 53.67 1m9l s GLU 29 Cb -0.19 -5.10 0.00 0.00 -4.31 0.00 0.00 34.13 24.53 1m9l s GLU 29 CO -0.08 -2.03 0.00 1.28 0.01 0.00 0.00 175.26 174.44 1m9l n LEU 30 N 7.98 0.00 0.00 1.80 4.77 -0.37 -4.55 117.00 126.63 1m9l n LEU 30 Ca 0.27 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1m9l n LEU 30 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1m9l n LEU 30 CO 0.60 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 178.23 1m9l n HIS 31 N 0.00 0.00 -3.83 -1.77 -0.00 -1.26 -4.64 115.22 103.72 1m9l n HIS 31 Ca 0.00 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.12 1m9l n HIS 31 Cb 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 29.87 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 -0.96 0.02 0.02 1.57 0.00 -1.26 -0.92 107.32 105.80 1m9l s GLY 32 Ca 0.00 -0.33 -0.28 0.00 0.00 0.00 0.00 44.72 44.11 1m9l s GLY 32 CO 0.00 0.10 0.65 -0.29 0.00 0.00 0.00 173.10 173.56 1m9l s MET 33 N -3.22 1.14 0.09 2.90 0.00 -0.44 0.13 119.30 119.89 1m9l s MET 33 Ca 0.13 -0.00 -0.27 0.00 0.00 0.00 0.00 55.69 55.55 1m9l s MET 33 Cb -0.04 0.53 -0.06 0.00 0.00 0.00 0.00 34.83 35.26 1m9l s MET 33 CO 0.07 -0.41 0.85 0.96 0.00 0.00 0.00 175.02 176.49 1m9l s ILE 34 N -2.10 4.59 0.25 10.11 -4.36 -1.26 -3.09 121.20 125.34 1m9l s ILE 34 Ca -0.07 1.83 -0.08 0.00 -0.26 0.00 0.00 60.65 62.07 1m9l s ILE 34 Cb -0.00 -4.21 0.32 0.00 1.25 0.00 0.00 42.46 39.82 1m9l s ILE 34 CO 0.02 0.36 1.61 -0.65 0.24 0.00 0.00 174.94 176.52 1m9l h PRO 35 N 5.48 0.04 0.00 0.37 0.10 -1.97 -1.87 132.00 134.16 1m9l h PRO 35 Ca -0.44 -0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.66 1m9l h PRO 35 Cb 1.21 -0.01 0.00 0.00 0.10 0.00 0.00 31.00 32.30 1m9l h PRO 35 CO 0.71 0.03 0.00 -2.30 0.10 0.00 0.00 178.00 176.54 1m9l n PRO 36 N -5.44 0.08 -1.42 1.05 -0.02 -1.26 -0.31 135.00 127.68 1m9l n PRO 36 Ca 0.13 0.00 -0.55 0.00 -2.02 0.00 0.00 63.50 61.06 1m9l n PRO 36 Cb 0.47 -1.34 -0.08 0.00 -0.02 0.00 0.00 33.50 32.52 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 -0.84 0.00 0.00 4.25 0.00 -0.70 -4.66 119.36 117.40 1m9l n ILE 37 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.76 1m9l n ILE 37 Cb 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 39.64 39.36 1m9l n ILE 37 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1m9l n GLU 38 N 2.72 0.00 -3.07 9.51 4.07 -1.25 -1.83 120.64 130.79 1m9l n GLU 38 Ca 0.23 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.93 1m9l n GLU 38 Cb -0.01 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.32 1m9l n GLU 38 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1m9l s LYS 39 N 1.49 4.34 -1.20 5.31 1.02 -1.26 -2.05 119.74 127.40 1m9l s LYS 39 Ca 0.00 0.79 -0.07 0.00 0.02 0.00 0.00 55.97 56.71 1m9l s LYS 39 Cb 0.00 -3.50 0.22 0.00 -0.52 0.00 0.00 37.83 34.03 1m9l s LYS 39 CO 0.00 -0.08 1.74 -0.12 -0.92 0.00 0.00 175.35 175.98 1m9l n MET 40 N 4.37 4.02 -0.04 1.68 1.56 -1.26 -4.00 117.12 123.45 1m9l n MET 40 Ca -0.01 -3.94 0.13 0.00 -0.27 0.00 0.00 57.70 53.61 1m9l n MET 40 Cb 0.50 -2.75 0.55 0.00 2.15 0.00 0.00 33.22 33.68 1m9l n MET 40 CO 0.00 0.00 0.00 0.22 -0.73 0.00 0.00 175.97 175.46 1m9l h ASP 41 N 5.55 0.26 0.41 6.12 1.82 -1.86 -0.19 116.42 128.54 1m9l h ASP 41 Ca 0.33 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.97 1m9l h ASP 41 Cb 0.61 -0.05 -0.03 0.00 0.68 0.00 0.00 39.33 40.54 1m9l h ASP 41 CO 1.51 0.16 -0.50 0.00 -1.61 0.00 0.00 179.24 178.79 1m9l h ALA 42 N 1.73 -1.09 -0.43 -0.78 0.00 -1.80 -1.34 119.26 115.55 1m9l h ALA 42 Ca 0.25 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1m9l h ALA 42 Cb 0.60 0.76 -0.09 0.00 0.00 0.00 0.00 17.79 19.06 1m9l h ALA 42 CO -0.06 -1.16 -0.17 1.15 0.00 0.00 0.00 179.25 179.02 1m9l h THR 43 N -0.94 0.45 -0.76 0.00 2.02 -1.69 0.13 112.91 112.11 1m9l h THR 43 Ca -0.05 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.26 1m9l h THR 43 Cb 0.84 0.45 -0.13 0.00 -1.74 0.00 0.00 68.15 67.57 1m9l h THR 43 CO -0.11 0.00 -0.36 0.25 0.37 0.00 0.00 175.52 175.66 1m9l h LEU 44 N -0.08 -1.29 0.00 2.58 5.85 -0.34 0.52 115.31 122.55 1m9l h LEU 44 Ca 0.21 0.26 -0.09 0.00 0.84 0.00 0.00 57.88 59.11 1m9l h LEU 44 Cb 0.40 0.66 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 1m9l h LEU 44 CO -0.49 -0.30 -0.58 0.28 -0.34 0.00 0.00 178.44 177.02 1m9l h SER 45 N -0.10 0.00 0.00 1.25 0.02 -1.04 -3.33 113.55 110.35 1m9l h SER 45 Ca 0.28 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1m9l h SER 45 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1m9l h SER 45 CO -0.81 1.06 0.14 1.07 -1.14 0.00 0.00 176.83 177.15 1m9l n THR 46 N -4.57 1.42 -0.34 -2.27 5.66 0.42 -1.77 114.28 112.83 1m9l n THR 46 Ca -0.16 0.51 -0.01 0.00 -3.05 0.00 0.00 64.05 61.34 1m9l n THR 46 Cb 0.44 -1.51 0.04 0.00 -1.55 0.00 0.00 70.33 67.75 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 -1.38 -0.57 -0.32 1.09 0.00 0.18 -0.26 117.00 115.75 1m9l n LEU 47 Ca -0.00 1.55 0.08 0.00 0.00 0.00 0.00 56.01 57.65 1m9l n LEU 47 Cb 0.14 -0.36 0.17 0.00 0.00 0.00 0.00 43.42 43.38 1m9l n LEU 47 CO 0.00 -1.40 0.63 1.17 0.00 0.00 0.00 177.39 177.80 1m9l n LYS 48 N -5.32 -0.08 0.04 1.96 4.81 -0.73 -0.61 118.16 118.23 1m9l n LYS 48 Ca 0.09 1.38 0.06 0.00 -0.87 0.00 0.00 58.31 58.97 1m9l n LYS 48 Cb 0.36 -2.10 -0.08 0.00 0.02 0.00 0.00 35.03 33.23 1m9l n LYS 48 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1m9l n ALA 49 N -3.51 2.30 -1.66 3.14 0.00 0.64 -5.03 120.51 116.39 1m9l n ALA 49 Ca 0.17 -0.49 -0.65 0.00 0.00 0.00 0.00 53.44 52.47 1m9l n ALA 49 Cb 0.53 -0.90 -0.09 0.00 0.00 0.00 0.00 19.45 18.99 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 3.70 0.00 -2.92 0.00 4.81 -1.23 -4.31 118.16 118.21 1m9l n LYS 51 Ca 0.29 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.30 1m9l n LYS 51 Cb -0.05 0.00 0.01 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 -2.47 2.58 -2.54 5.64 -0.00 0.15 0.05 115.22 118.62 1m9l n HIS 52 Ca 0.00 -2.70 -0.43 0.00 0.46 0.00 0.00 57.72 55.05 1m9l n HIS 52 Cb 0.00 -1.40 -0.02 0.00 -0.12 0.00 0.00 29.99 28.45 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 -2.26 3.65 -0.28 0.27 2.96 -0.29 -1.67 118.68 121.07 1m9l s LEU 53 Ca 0.32 0.62 -0.05 0.00 -0.22 0.00 0.00 54.13 54.80 1m9l s LEU 53 Cb 0.05 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.20 1m9l s LEU 53 CO 0.08 -1.26 0.02 0.00 -1.32 0.00 0.00 176.35 173.87 1m9l s ALA 54 N 4.62 2.92 0.00 5.97 0.00 -0.50 -0.61 121.76 134.15 1m9l s ALA 54 Ca 0.51 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1m9l s ALA 54 Cb -0.09 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.06 1m9l s ALA 54 CO 0.30 -0.87 0.00 1.28 0.00 0.00 0.00 175.76 176.48 1m9l n LEU 55 N 4.79 0.00 0.00 0.00 7.99 -0.59 -1.24 117.00 127.96 1m9l n LEU 55 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.85 1m9l n LEU 55 Cb 0.48 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.79 1m9l n LEU 55 CO 0.30 -0.02 0.00 -0.24 -1.51 0.00 0.00 177.39 175.92 1m9l n SER 56 N -0.21 0.00 -3.38 -1.43 2.88 -0.96 -4.54 113.62 105.98 1m9l n SER 56 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 1m9l n SER 56 Cb 0.00 0.26 -0.10 0.00 -0.75 0.00 0.00 64.21 63.63 1m9l n SER 56 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1m9l s THR 57 N -1.57 -0.02 -0.03 2.46 -1.32 -0.10 -0.08 115.64 114.99 1m9l s THR 57 Ca 0.00 -1.69 0.04 0.00 -1.21 0.00 0.00 61.69 58.84 1m9l s THR 57 Cb 0.00 -0.95 -0.01 0.00 -1.51 0.00 0.00 72.50 70.03 1m9l s THR 57 CO 0.00 -0.88 -0.15 0.54 -2.21 0.00 0.00 174.62 171.92 1m9l s ASN 58 N 0.92 1.88 0.11 8.08 4.22 -0.41 -1.33 114.94 128.41 1m9l s ASN 58 Ca 0.22 -0.30 0.07 0.00 -2.14 0.00 0.00 52.86 50.71 1m9l s ASN 58 Cb -0.13 -0.39 -0.04 0.00 1.28 0.00 0.00 41.25 41.97 1m9l s ASN 58 CO -0.05 0.16 -0.08 0.20 -2.04 0.00 0.00 177.10 175.28 1m9l s ASN 59 N -0.11 4.49 -0.14 3.54 -0.87 -1.18 -1.75 114.94 118.92 1m9l s ASN 59 Ca 0.01 -0.38 -0.02 0.00 -1.57 0.00 0.00 52.86 50.89 1m9l s ASN 59 Cb -0.09 -0.88 0.05 0.00 -0.02 0.00 0.00 41.25 40.31 1m9l s ASN 59 CO 0.01 0.16 0.02 -0.63 -2.57 0.00 0.00 177.10 174.09 1m9l s ILE 60 N -1.31 0.46 -0.25 0.60 1.01 0.11 -4.02 121.20 117.80 1m9l s ILE 60 Ca 0.23 -0.25 -0.17 0.00 0.00 0.00 0.00 60.65 60.46 1m9l s ILE 60 Cb -0.11 -0.81 -0.14 0.00 0.01 0.00 0.00 42.46 41.41 1m9l s ILE 60 CO 0.15 0.00 -0.17 1.21 0.00 0.00 0.00 174.94 176.13 1m9l n GLU 61 N 5.10 0.58 -3.01 2.79 2.13 0.58 -4.09 120.64 124.71 1m9l n GLU 61 Ca -0.08 0.37 -0.11 0.00 0.66 0.00 0.00 57.16 58.00 1m9l n GLU 61 Cb 0.48 -1.58 -0.03 0.00 0.27 0.00 0.00 31.44 30.59 1m9l n GLU 61 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1m9l s LYS 62 N -2.47 0.98 -1.21 5.31 2.20 -0.76 -4.72 119.74 119.07 1m9l s LYS 62 Ca -0.35 -1.27 -0.20 0.00 -0.36 0.00 0.00 55.97 53.79 1m9l s LYS 62 Cb 0.12 -0.45 0.05 0.00 -1.51 0.00 0.00 37.83 36.03 1m9l s LYS 62 CO 0.52 -1.33 1.70 -1.50 -0.36 0.00 0.00 175.35 174.38 1m9l s ILE 63 N 0.77 3.99 0.54 5.43 -1.16 -1.25 -3.94 121.20 125.58 1m9l s ILE 63 Ca 0.29 -1.50 0.37 0.00 -0.51 0.00 0.00 60.65 59.30 1m9l s ILE 63 Cb -0.00 -5.06 0.40 0.00 0.61 0.00 0.00 42.46 38.40 1m9l s ILE 63 CO -0.09 -1.87 2.25 -1.28 -2.81 0.00 0.00 174.94 171.15 1m9l h SER 64 N 8.44 0.00 -0.12 4.50 0.87 -1.72 -3.29 113.55 122.23 1m9l h SER 64 Ca 0.36 0.00 -0.40 0.00 -1.23 0.00 0.00 61.79 60.51 1m9l h SER 64 Cb 0.91 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.83 1m9l h SER 64 CO 1.42 0.02 1.30 -1.54 -0.53 0.00 0.00 176.83 177.51 1m9l n SER 65 N -3.34 6.71 -0.18 6.23 3.41 -1.26 -4.56 113.62 120.62 1m9l n SER 65 Ca -0.02 -2.59 -0.08 0.00 -0.26 0.00 0.00 58.87 55.92 1m9l n SER 65 Cb 0.13 -1.46 0.02 0.00 -0.26 0.00 0.00 64.21 62.64 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 5.67 0.71 -2.56 1.04 8.10 -1.92 -1.18 115.31 125.18 1m9l h LEU 66 Ca 0.47 -0.16 -0.00 0.00 0.11 0.00 0.00 57.88 58.31 1m9l h LEU 66 Cb 0.97 -0.18 -0.00 0.00 -0.44 0.00 0.00 40.66 41.01 1m9l h LEU 66 CO 0.88 0.67 -0.00 0.77 -4.11 0.00 0.00 178.44 176.65 1m9l h SER 67 N 0.71 0.00 0.00 0.17 4.64 -1.94 -0.42 113.55 116.71 1m9l h SER 67 Ca 0.18 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1m9l h SER 67 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1m9l h SER 67 CO -0.02 0.00 -0.01 1.23 -0.87 0.00 0.00 176.83 177.16 1m9l h GLY 68 N 0.56 0.01 1.61 -0.77 0.00 -1.55 -3.26 103.07 99.66 1m9l h GLY 68 Ca -0.00 -0.01 0.05 0.00 0.00 0.00 0.00 47.33 47.37 1m9l h GLY 68 CO 0.00 0.01 0.14 -0.33 0.00 0.00 0.00 176.54 176.37 1m9l h MET 69 N -0.84 0.00 0.00 4.80 2.07 -0.19 -3.30 114.93 117.47 1m9l h MET 69 Ca -0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 1m9l h MET 69 Cb 0.86 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.59 1m9l h MET 69 CO 0.00 0.00 0.00 -1.91 1.07 0.00 0.00 176.91 176.07 1m9l n GLU 70 N -4.20 0.00 0.00 1.72 4.07 -0.28 -1.62 120.64 120.33 1m9l n GLU 70 Ca 0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 1m9l n GLU 70 Cb 0.27 -1.44 0.00 0.00 -0.06 0.00 0.00 31.44 30.21 1m9l n GLU 70 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1m9l n ASN 71 N -0.61 0.45 -4.81 4.31 4.13 -1.24 -4.64 115.26 112.85 1m9l n ASN 71 Ca 0.00 -1.18 -0.31 0.00 1.68 0.00 0.00 54.58 54.77 1m9l n ASN 71 Cb 0.00 0.00 0.06 0.00 -1.54 0.00 0.00 39.78 38.30 1m9l n ASN 71 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1m9l s LEU 72 N -0.18 3.12 0.23 3.41 2.96 -0.64 -4.68 118.68 122.90 1m9l s LEU 72 Ca 0.00 1.65 0.00 0.00 -0.22 0.00 0.00 54.13 55.56 1m9l s LEU 72 Cb 0.00 -4.50 0.00 0.00 0.50 0.00 0.00 46.19 42.19 1m9l s LEU 72 CO 0.00 -1.53 0.00 0.54 -1.32 0.00 0.00 176.35 174.04 1m9l n ARG 73 N -3.18 0.00 -3.15 1.98 5.12 -1.25 -3.54 116.66 112.64 1m9l n ARG 73 Ca 0.08 0.00 -0.45 0.00 -1.93 0.00 0.00 57.85 55.54 1m9l n ARG 73 Cb 0.53 -0.16 -0.03 0.00 -1.16 0.00 0.00 32.46 31.64 1m9l n ARG 73 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1m9l s ILE 74 N -1.99 5.08 -0.53 0.55 1.01 0.11 -1.49 121.20 123.94 1m9l s ILE 74 Ca 0.00 -1.64 -0.20 0.00 0.00 0.00 0.00 60.65 58.81 1m9l s ILE 74 Cb 0.00 -4.54 0.06 0.00 0.01 0.00 0.00 42.46 37.99 1m9l s ILE 74 CO 0.00 -1.17 0.68 -0.22 0.00 0.00 0.00 174.94 174.23 1m9l s LEU 75 N 1.81 4.92 -0.95 2.97 0.20 -0.46 -1.13 118.68 126.04 1m9l s LEU 75 Ca 0.18 -0.94 -0.02 0.00 0.69 0.00 0.00 54.13 54.04 1m9l s LEU 75 Cb -0.15 -2.46 0.28 0.00 -0.43 0.00 0.00 46.19 43.42 1m9l s LEU 75 CO -0.03 -0.98 1.15 -1.20 -0.29 0.00 0.00 176.35 175.00 1m9l n SER 76 N 6.39 5.31 -2.76 3.68 7.64 0.22 -0.81 113.62 133.29 1m9l n SER 76 Ca -0.06 -3.33 0.00 0.00 1.01 0.00 0.00 58.87 56.49 1m9l n SER 76 Cb 0.45 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 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 1.52 0.00 0.19 -3.43 0.00 0.10 -1.54 117.00 113.84 1m9l n LEU 77 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.27 1m9l n LEU 77 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.78 1m9l n LEU 77 CO 0.56 -0.19 0.00 0.61 0.00 0.00 0.00 177.39 178.37 1m9l n GLY 78 N 4.71 -1.59 2.78 -3.96 0.00 -1.26 -4.56 105.19 101.31 1m9l n GLY 78 Ca 0.00 0.33 -0.24 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.00 0.74 0.14 1.61 3.00 0.88 -0.03 118.95 123.29 1m9l s ARG 79 Ca 0.00 -0.03 -0.16 0.00 -1.00 0.00 0.00 55.73 54.54 1m9l s ARG 79 Cb 0.00 -1.25 0.03 0.00 0.00 0.00 0.00 34.95 33.74 1m9l s ARG 79 CO 0.00 -0.35 0.43 0.54 0.00 0.00 0.00 175.30 175.91 1m9l s ASN 80 N 1.92 -0.24 -0.12 -2.12 6.03 -0.27 -1.29 114.94 118.84 1m9l s ASN 80 Ca 0.04 -0.35 0.03 0.00 -1.03 0.00 0.00 52.86 51.54 1m9l s ASN 80 Cb -0.13 0.50 0.00 0.00 -3.03 0.00 0.00 41.25 38.59 1m9l s ASN 80 CO -0.06 -0.90 -0.21 -0.76 -2.03 0.00 0.00 177.10 173.14 1m9l s LEU 81 N -2.82 2.19 -0.05 3.54 1.02 -0.72 -1.19 118.68 120.66 1m9l s LEU 81 Ca 0.05 -0.55 0.03 0.00 0.02 0.00 0.00 54.13 53.67 1m9l s LEU 81 Cb 0.01 -1.46 0.01 0.00 0.02 0.00 0.00 46.19 44.77 1m9l s LEU 81 CO -0.10 0.12 -0.13 -0.63 0.02 0.00 0.00 176.35 175.64 1m9l s ILE 82 N 0.57 1.12 0.12 -0.59 1.01 -0.25 -0.71 121.20 122.48 1m9l s ILE 82 Ca -0.12 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.01 1m9l s ILE 82 Cb -0.17 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.30 1m9l s ILE 82 CO 0.04 0.34 0.00 0.29 0.00 0.00 0.00 174.94 175.61 1m9l n LYS 83 N 3.50 0.00 -4.32 2.79 5.02 -1.26 -4.10 118.16 119.80 1m9l n LYS 83 Ca -0.20 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.78 1m9l n LYS 83 Cb 0.53 -0.42 -0.10 0.00 -0.02 0.00 0.00 35.03 35.02 1m9l n LYS 83 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1m9l s LYS 84 N -2.00 2.42 -0.21 1.97 1.02 -1.26 -4.55 119.74 117.13 1m9l s LYS 84 Ca 0.00 -0.84 -0.29 0.00 0.02 0.00 0.00 55.97 54.86 1m9l s LYS 84 Cb 0.00 -2.45 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 1m9l s LYS 84 CO 0.00 0.56 1.09 -1.50 -0.92 0.00 0.00 175.35 174.58 1m9l s ILE 85 N -1.13 4.59 0.39 2.17 -1.16 -1.26 -4.64 121.20 120.16 1m9l s ILE 85 Ca 0.20 1.92 0.00 0.00 -0.51 0.00 0.00 60.65 62.26 1m9l s ILE 85 Cb -0.11 -4.24 0.00 0.00 0.61 0.00 0.00 42.46 38.72 1m9l s ILE 85 CO 0.12 -0.17 0.00 1.21 -2.81 0.00 0.00 174.94 173.29 1m9l n GLU 86 N 6.35 0.00 0.11 3.50 2.13 -1.26 -4.91 120.64 126.57 1m9l n GLU 86 Ca 0.12 0.00 0.12 0.00 0.66 0.00 0.00 57.16 58.06 1m9l n GLU 86 Cb 0.46 0.00 0.08 0.00 0.27 0.00 0.00 31.44 32.24 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 -0.93 4.31 -1.07 -1.82 -3.36 115.58 112.71 1m9l h ASN 87 Ca 0.00 -0.05 0.03 0.00 0.07 0.00 0.00 56.30 56.35 1m9l h ASN 87 Cb 0.00 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.20 1m9l h ASN 87 CO 0.00 0.03 0.61 -0.07 0.07 0.00 0.00 177.43 178.06 1m9l h LEU 88 N 0.00 1.01 -0.69 6.14 3.38 -1.91 -0.94 115.31 122.31 1m9l h LEU 88 Ca 0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1m9l h LEU 88 Cb 0.93 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1m9l h LEU 88 CO 0.00 0.70 0.28 -0.78 0.09 0.00 0.00 178.44 178.73 1m9l h ASP 89 N 1.17 0.94 0.17 -0.43 3.58 -1.94 0.91 116.42 120.83 1m9l h ASP 89 Ca 0.36 -0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.64 1m9l h ASP 89 Cb -0.01 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 40.80 1m9l h ASP 89 CO -0.11 0.85 -0.08 0.00 -2.88 0.00 0.00 179.24 177.03 1m9l h ALA 90 N 1.13 -0.23 -0.95 -0.78 0.00 -1.62 -0.66 119.26 116.15 1m9l h ALA 90 Ca 0.23 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1m9l h ALA 90 Cb 0.20 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1m9l h ALA 90 CO -0.02 -0.31 0.61 -0.39 0.00 0.00 0.00 179.25 179.14 1m9l h VAL 91 N -0.86 1.05 -0.32 0.00 -1.51 -1.25 -1.46 116.25 111.90 1m9l h VAL 91 Ca -0.02 -0.36 -0.14 0.00 -1.23 0.00 0.00 66.70 64.94 1m9l h VAL 91 Cb 0.52 -0.10 -0.01 0.00 -2.13 0.00 0.00 31.29 29.57 1m9l h VAL 91 CO 0.04 0.19 -0.37 0.00 -1.23 0.00 0.00 177.57 176.20 1m9l h ALA 92 N 1.50 0.75 -0.50 5.19 0.00 -0.83 0.19 119.26 125.57 1m9l h ALA 92 Ca 0.42 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1m9l h ALA 92 Cb 0.24 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1m9l h ALA 92 CO -0.17 0.66 0.19 -0.44 0.00 0.00 0.00 179.25 179.49 1m9l h ASP 93 N 0.61 0.69 0.23 0.00 5.19 -0.17 -3.33 116.42 119.64 1m9l h ASP 93 Ca 0.06 -0.17 -0.34 0.00 -0.62 0.00 0.00 57.03 55.95 1m9l h ASP 93 Cb 0.91 -0.18 -0.05 0.00 0.18 0.00 0.00 39.33 40.19 1m9l h ASP 93 CO 0.08 0.68 -2.03 1.07 -3.12 0.00 0.00 179.24 175.92 1m9l n THR 94 N -4.55 1.60 -0.83 0.35 5.66 -0.64 -5.01 114.28 110.86 1m9l n THR 94 Ca 0.02 -0.74 -0.31 0.00 -3.05 0.00 0.00 64.05 59.97 1m9l n THR 94 Cb 0.16 -1.16 0.16 0.00 -1.55 0.00 0.00 70.33 67.94 1m9l n THR 94 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1m9l s LEU 95 N -6.29 2.61 0.00 1.09 1.43 0.67 -4.69 118.68 113.50 1m9l s LEU 95 Ca -0.15 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 54.94 1m9l s LEU 95 Cb 0.07 -4.38 0.00 0.00 0.03 0.00 0.00 46.19 41.92 1m9l s LEU 95 CO 0.78 -2.99 0.00 1.21 0.23 0.00 0.00 176.35 175.58 1m9l n GLU 96 N -4.15 0.00 -3.64 1.70 2.13 -1.18 -4.68 120.64 110.81 1m9l n GLU 96 Ca 0.10 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.56 1m9l n GLU 96 Cb 0.53 -0.27 -0.06 0.00 0.27 0.00 0.00 31.44 31.91 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 -1.55 3.27 -1.33 5.31 2.02 -0.55 -1.52 118.70 124.34 1m9l s GLU 97 Ca 0.00 -3.27 -0.16 0.00 0.02 0.00 0.00 54.97 51.56 1m9l s GLU 97 Cb 0.00 -3.95 0.08 0.00 0.10 0.00 0.00 34.13 30.36 1m9l s GLU 97 CO 0.00 -1.26 1.83 1.28 0.02 0.00 0.00 175.26 177.13 1m9l n LEU 98 N 2.34 5.56 -4.39 1.80 4.77 -0.53 -1.35 117.00 125.20 1m9l n LEU 98 Ca 0.21 -4.09 -0.44 0.00 -0.03 0.00 0.00 56.01 51.66 1m9l n LEU 98 Cb 0.37 -1.69 -0.04 0.00 -2.33 0.00 0.00 43.42 39.72 1m9l n LEU 98 CO 0.36 0.54 0.48 0.26 -1.33 0.00 0.00 177.39 177.70 1m9l s TRP 99 N 3.39 2.96 -0.38 -1.77 0.51 0.01 -1.05 118.94 122.60 1m9l s TRP 99 Ca 0.50 -0.92 0.11 0.00 -2.12 0.00 0.00 56.10 53.67 1m9l s TRP 99 Cb 0.06 -4.07 0.33 0.00 -0.81 0.00 0.00 33.47 28.98 1m9l s TRP 99 CO 0.02 -1.36 0.71 0.44 -0.51 0.00 0.00 176.95 176.26 1m9l n ILE 100 N 5.58 -0.25 0.00 2.03 -5.35 -0.58 -0.72 119.36 120.08 1m9l n ILE 100 Ca -0.08 -4.35 0.00 0.00 -0.27 0.00 0.00 62.75 58.06 1m9l n ILE 100 Cb 0.43 -0.46 0.00 0.00 -1.74 0.00 0.00 39.64 37.87 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 0.48 0.00 -4.14 7.28 7.64 -1.24 -3.65 113.62 119.99 1m9l n SER 101 Ca 0.23 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.78 1m9l n SER 101 Cb 0.64 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.69 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 -4.62 3.17 0.00 1.43 6.14 0.96 -0.24 117.35 124.19 1m9l s TYR 102 Ca 0.00 -1.92 0.01 0.00 0.64 0.00 0.00 57.07 55.80 1m9l s TYR 102 Cb 0.00 -2.02 -0.01 0.00 0.42 0.00 0.00 41.96 40.36 1m9l s TYR 102 CO 0.00 -0.81 -0.05 0.54 0.64 0.00 0.00 175.55 175.87 1m9l s ASN 103 N 1.22 0.53 -0.22 4.32 2.20 -0.57 -1.11 114.94 121.32 1m9l s ASN 103 Ca -0.04 -0.16 -0.03 0.00 -0.94 0.00 0.00 52.86 51.68 1m9l s ASN 103 Cb -0.18 -0.03 -0.01 0.00 -2.00 0.00 0.00 41.25 39.03 1m9l s ASN 103 CO -0.04 -0.00 -0.06 -1.10 -2.94 0.00 0.00 177.10 172.96 1m9l s GLN 104 N -0.38 3.33 0.18 3.55 -0.21 -0.33 -1.06 119.66 124.75 1m9l s GLN 104 Ca -0.01 -0.65 -0.01 0.00 0.02 0.00 0.00 55.36 54.72 1m9l s GLN 104 Cb -0.03 -2.98 -0.04 0.00 1.00 0.00 0.00 33.01 30.96 1m9l s GLN 104 CO -0.00 -0.20 0.10 0.42 -2.12 0.00 0.00 175.29 173.48 1m9l s ILE 105 N 1.46 0.11 0.00 1.08 1.01 -0.68 -1.09 121.20 123.09 1m9l s ILE 105 Ca 0.06 -1.97 0.00 0.00 0.00 0.00 0.00 60.65 58.74 1m9l s ILE 105 Cb -0.14 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 39.98 1m9l s ILE 105 CO -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 174.94 174.72 1m9l n ALA 106 N -0.23 0.00 -1.93 9.38 0.00 -1.26 -4.38 120.51 122.09 1m9l n ALA 106 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.03 1m9l n ALA 106 Cb 0.65 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.05 1m9l n ALA 106 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1m9l s SER 107 N 0.00 7.59 0.11 0.00 0.01 -1.26 -4.98 113.70 115.16 1m9l s SER 107 Ca 0.00 1.90 -0.14 0.00 1.31 0.00 0.00 55.95 59.02 1m9l s SER 107 Cb 0.00 -2.60 -0.07 0.00 0.21 0.00 0.00 66.02 63.55 1m9l s SER 107 CO 0.00 0.07 1.44 -0.07 0.41 0.00 0.00 173.24 175.09 1m9l h LEU 108 N 4.65 0.77 -0.32 2.44 -0.00 -1.99 -1.50 115.31 119.36 1m9l h LEU 108 Ca -0.44 -0.45 -0.03 0.00 -0.00 0.00 0.00 57.88 56.95 1m9l h LEU 108 Cb 1.20 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 41.63 1m9l h LEU 108 CO 0.69 1.06 0.09 -1.28 -0.00 0.00 0.00 178.44 179.01 1m9l h SER 109 N 0.49 0.48 0.35 -0.43 0.87 -1.98 -0.09 113.55 113.24 1m9l h SER 109 Ca 0.06 -0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.38 1m9l h SER 109 Cb 0.83 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 1m9l h SER 109 CO 0.07 0.58 -0.32 1.23 -0.53 0.00 0.00 176.83 177.85 1m9l h GLY 110 N 0.37 -1.05 0.91 5.77 0.00 -1.95 -1.90 103.07 105.21 1m9l h GLY 110 Ca 0.10 0.47 0.09 0.00 0.00 0.00 0.00 47.33 47.99 1m9l h GLY 110 CO -0.00 -0.33 0.50 0.16 0.00 0.00 0.00 176.54 176.86 1m9l h ILE 111 N -0.66 0.96 0.28 2.60 -0.00 -1.32 -1.18 117.51 118.20 1m9l h ILE 111 Ca -0.04 -0.24 0.00 0.00 -0.00 0.00 0.00 64.86 64.57 1m9l h ILE 111 Cb 0.56 0.19 -0.02 0.00 -0.00 0.00 0.00 36.82 37.55 1m9l h ILE 111 CO -0.03 0.13 -0.29 -0.08 -0.00 0.00 0.00 178.15 177.88 1m9l h GLU 112 N 0.71 -0.59 0.48 0.16 4.81 -0.63 -0.14 114.58 119.38 1m9l h GLU 112 Ca 0.34 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.59 1m9l h GLU 112 Cb 0.40 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1m9l h GLU 112 CO -0.13 -0.39 -0.23 0.87 -0.73 0.00 0.00 179.01 178.40 1m9l h LYS 113 N -0.61 -0.62 -0.20 1.92 1.57 -0.83 -0.70 116.57 117.09 1m9l h LYS 113 Ca -0.01 0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1m9l h LYS 113 Cb 0.57 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1m9l h LYS 113 CO -0.07 -0.36 0.14 1.37 -0.57 0.00 0.00 179.45 179.96 1m9l h LEU 114 N -1.12 0.11 0.20 2.94 8.10 -1.30 -0.65 115.31 123.60 1m9l h LEU 114 Ca -0.07 -0.00 -0.28 0.00 0.11 0.00 0.00 57.88 57.65 1m9l h LEU 114 Cb 0.55 -0.03 0.03 0.00 -0.44 0.00 0.00 40.66 40.77 1m9l h LEU 114 CO 0.11 0.08 -1.25 0.58 -4.11 0.00 0.00 178.44 173.85 1m9l h VAL 115 N 0.13 1.32 0.00 0.15 2.07 -1.10 -3.28 116.25 115.55 1m9l h VAL 115 Ca 0.09 -2.60 0.00 0.00 0.82 0.00 0.00 66.70 65.01 1m9l h VAL 115 Cb 0.19 3.06 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 1m9l h VAL 115 CO -0.01 0.77 0.15 -1.13 0.02 0.00 0.00 177.57 177.36 1m9l h ASN 116 N -0.09 0.00 -1.05 0.57 -1.24 -0.00 -3.44 115.58 110.33 1m9l h ASN 116 Ca -0.23 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 56.73 1m9l h ASN 116 Cb 1.94 0.00 0.04 0.00 0.73 0.00 0.00 38.32 41.02 1m9l h ASN 116 CO 0.21 0.00 -0.03 -0.11 -1.29 0.00 0.00 177.43 176.21 1m9l n LEU 117 N -2.96 0.00 -0.00 0.34 7.94 -0.36 -4.89 117.00 117.06 1m9l n LEU 117 Ca -0.03 -0.14 -0.00 0.00 -1.11 0.00 0.00 56.01 54.73 1m9l n LEU 117 Cb 0.20 -0.40 -0.00 0.00 0.53 0.00 0.00 43.42 43.75 1m9l n LEU 117 CO 0.17 -1.83 0.02 0.03 -1.11 0.00 0.00 177.39 174.67 1m9l h ARG 118 N 0.00 -0.01 -4.55 1.96 2.47 -1.84 -3.43 114.38 108.99 1m9l h ARG 118 Ca -0.06 0.00 -0.54 0.00 -1.26 0.00 0.00 59.98 58.12 1m9l h ARG 118 Cb 0.22 0.00 -0.34 0.00 -1.65 0.00 0.00 29.97 28.20 1m9l h ARG 118 CO 0.04 -0.01 -0.82 0.54 0.56 0.00 0.00 179.97 180.28 1m9l s VAL 119 N -1.20 1.21 -0.02 2.04 0.11 -0.58 -1.83 120.40 120.14 1m9l s VAL 119 Ca -0.00 -0.49 -0.00 0.00 -2.93 0.00 0.00 61.98 58.55 1m9l s VAL 119 Cb 0.00 -1.13 0.02 0.00 -1.53 0.00 0.00 36.38 33.74 1m9l s VAL 119 CO 0.00 0.38 0.03 -1.48 -3.33 0.00 0.00 175.10 170.70 1m9l s LEU 120 N 0.91 1.42 -0.25 2.54 2.34 -0.61 -1.46 118.68 123.56 1m9l s LEU 120 Ca -0.10 0.05 -0.02 0.00 0.06 0.00 0.00 54.13 54.12 1m9l s LEU 120 Cb -0.15 0.00 0.02 0.00 -0.56 0.00 0.00 46.19 45.50 1m9l s LEU 120 CO 0.01 -0.08 -0.04 -0.31 -1.06 0.00 0.00 176.35 174.87 1m9l s TYR 121 N 0.64 3.08 -0.48 3.48 2.02 -0.22 -1.48 117.35 124.38 1m9l s TYR 121 Ca -0.05 -1.47 0.03 0.00 -0.37 0.00 0.00 57.07 55.21 1m9l s TYR 121 Cb -0.08 -2.09 0.15 0.00 -0.40 0.00 0.00 41.96 39.55 1m9l s TYR 121 CO -0.02 -0.71 0.32 -1.64 -1.57 0.00 0.00 175.55 171.94 1m9l s MET 122 N 1.35 1.37 0.35 -0.62 -1.94 0.46 -1.52 119.30 118.76 1m9l s MET 122 Ca 0.00 -2.28 0.25 0.00 -1.71 0.00 0.00 55.69 51.96 1m9l s MET 122 Cb -0.17 -2.22 0.69 0.00 2.01 0.00 0.00 34.83 35.14 1m9l s MET 122 CO -0.03 -1.26 1.72 0.66 -0.01 0.00 0.00 175.02 176.10 1m9l h SER 123 N 6.14 0.00 -2.94 3.03 4.64 -1.67 0.87 113.55 123.62 1m9l h SER 123 Ca 0.11 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.25 1m9l h SER 123 Cb 0.89 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.67 1m9l h SER 123 CO 0.48 0.00 -0.47 0.20 -0.87 0.00 0.00 176.83 176.17 1m9l s ASN 124 N -5.37 0.04 0.20 4.97 0.01 0.67 -0.09 114.94 115.38 1m9l s ASN 124 Ca 0.07 0.67 -0.22 0.00 -0.71 0.00 0.00 52.86 52.67 1m9l s ASN 124 Cb 0.08 0.75 0.05 0.00 0.41 0.00 0.00 41.25 42.55 1m9l s ASN 124 CO 0.60 -0.22 0.66 0.54 -1.51 0.00 0.00 177.10 177.18 1m9l s ASN 125 N 2.11 -0.43 -0.35 -1.22 2.20 0.17 -1.51 114.94 115.90 1m9l s ASN 125 Ca -0.03 -0.25 -0.01 0.00 -0.94 0.00 0.00 52.86 51.63 1m9l s ASN 125 Cb -0.11 0.64 0.09 0.00 -2.00 0.00 0.00 41.25 39.87 1m9l s ASN 125 CO -0.10 -1.11 0.08 -0.54 -2.94 0.00 0.00 177.10 172.49 1m9l s LYS 126 N -3.79 2.03 -0.24 3.55 -0.14 -0.23 -4.09 119.74 116.84 1m9l s LYS 126 Ca 0.05 -1.63 -0.13 0.00 -1.36 0.00 0.00 55.97 52.91 1m9l s LYS 126 Cb -0.03 -3.32 0.08 0.00 -1.68 0.00 0.00 37.83 32.87 1m9l s LYS 126 CO -0.05 -0.86 0.57 0.42 -0.76 0.00 0.00 175.35 174.67 1m9l s ILE 127 N 1.12 -0.11 0.00 2.17 1.01 -1.26 -1.69 121.20 122.44 1m9l s ILE 127 Ca 0.03 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.73 1m9l s ILE 127 Cb -0.21 -0.84 0.00 0.00 0.01 0.00 0.00 42.46 41.42 1m9l s ILE 127 CO -0.04 0.02 0.02 0.35 0.00 0.00 0.00 174.94 175.29 1m9l n THR 128 N 4.43 0.00 -1.22 2.92 -2.24 -1.26 -1.49 114.28 115.42 1m9l n THR 128 Ca -0.20 -0.05 -0.30 0.00 -2.27 0.00 0.00 64.05 61.23 1m9l n THR 128 Cb 0.56 1.37 -0.08 0.00 -2.10 0.00 0.00 70.33 70.09 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 -0.06 7.52 -0.34 3.42 3.02 -1.26 -4.65 115.26 122.91 1m9l n ASN 129 Ca 0.00 -2.56 0.11 0.00 -0.03 0.00 0.00 54.58 52.10 1m9l n ASN 129 Cb 0.09 -1.50 0.29 0.00 -0.61 0.00 0.00 39.78 38.05 1m9l n ASN 129 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 1m9l h TRP 130 N 4.28 1.00 -0.99 3.10 7.01 -1.93 0.29 115.95 128.70 1m9l h TRP 130 Ca 0.63 0.03 0.36 0.00 2.11 0.00 0.00 58.89 62.03 1m9l h TRP 130 Cb 0.71 -0.30 -0.17 0.00 -2.10 0.00 0.00 29.16 27.31 1m9l h TRP 130 CO 1.84 0.23 0.50 0.78 -2.79 0.00 0.00 178.44 179.01 1m9l h GLY 131 N 0.74 2.09 0.00 2.65 0.00 -2.01 -1.40 103.07 105.14 1m9l h GLY 131 Ca 0.55 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1m9l h GLY 131 CO -0.38 -0.65 0.00 1.18 0.00 0.00 0.00 176.54 176.70 1m9l n GLU 132 N -5.19 0.00 -0.24 4.80 4.71 -0.51 -4.81 120.64 119.40 1m9l n GLU 132 Ca 0.34 0.00 0.15 0.00 -0.01 0.00 0.00 57.16 57.63 1m9l n GLU 132 Cb 1.11 -0.24 0.28 0.00 -1.01 0.00 0.00 31.44 31.57 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 -2.26 -0.30 -0.26 -3.67 5.41 0.90 -1.13 119.36 118.05 1m9l n ILE 133 Ca 0.00 1.53 0.07 0.00 1.00 0.00 0.00 62.75 65.35 1m9l n ILE 133 Cb 0.00 -2.32 0.21 0.00 -0.71 0.00 0.00 39.64 36.82 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 0.11 0.00 4.38 3.58 -1.40 -1.46 116.42 121.63 1m9l h ASP 134 Ca 0.49 0.14 -0.18 0.00 0.42 0.00 0.00 57.03 57.91 1m9l h ASP 134 Cb 1.13 0.17 -0.03 0.00 1.72 0.00 0.00 39.33 42.32 1m9l h ASP 134 CO -0.63 -0.01 -1.58 0.29 -2.88 0.00 0.00 179.24 174.43 1m9l n LYS 135 N -5.12 0.54 -0.33 0.28 5.02 -0.75 -4.60 118.16 113.20 1m9l n LYS 135 Ca 0.16 0.22 0.36 0.00 -2.02 0.00 0.00 58.31 57.03 1m9l n LYS 135 Cb 0.49 -1.43 0.66 0.00 -0.02 0.00 0.00 35.03 34.74 1m9l n LYS 135 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1m9l h LEU 136 N -0.97 0.00 -1.03 -0.35 6.46 -1.14 -1.79 115.31 116.49 1m9l h LEU 136 Ca -0.27 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.49 1m9l h LEU 136 Cb 1.22 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.15 1m9l h LEU 136 CO -0.16 0.00 0.00 0.00 -0.62 0.00 0.00 178.44 177.66 1m9l n ALA 137 N -2.56 2.13 -3.37 1.25 0.00 -0.55 -4.74 120.51 112.67 1m9l n ALA 137 Ca 0.27 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.52 1m9l n ALA 137 Cb 1.48 -1.00 0.07 0.00 0.00 0.00 0.00 19.45 19.99 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 0.14 -1.17 0.26 0.00 0.00 -0.80 -3.94 120.51 114.99 1m9l n ALA 138 Ca 0.00 0.28 -0.12 0.00 0.00 0.00 0.00 53.44 53.60 1m9l n ALA 138 Cb 0.19 -4.28 -0.06 0.00 0.00 0.00 0.00 19.45 15.31 1m9l n ALA 138 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1m9l h LEU 139 N -2.14 -0.77 -1.21 0.00 7.12 -1.60 -1.63 115.31 115.08 1m9l h LEU 139 Ca -0.47 0.04 0.23 0.00 0.13 0.00 0.00 57.88 57.81 1m9l h LEU 139 Cb 1.30 0.23 -0.10 0.00 -0.53 0.00 0.00 40.66 41.56 1m9l h LEU 139 CO 0.45 -0.46 0.63 -0.78 -0.13 0.00 0.00 178.44 178.16 1m9l h ASP 140 N -0.72 0.58 0.01 1.25 3.58 -1.89 -3.19 116.42 116.04 1m9l h ASP 140 Ca -0.06 0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 1m9l h ASP 140 Cb 0.58 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.63 1m9l h ASP 140 CO 0.06 0.15 -0.01 0.50 -2.88 0.00 0.00 179.24 177.06 1m9l h LYS 141 N 0.54 -0.02 -0.28 0.28 3.11 -1.94 -3.30 116.57 114.96 1m9l h LYS 141 Ca 0.58 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 58.40 1m9l h LYS 141 Cb 1.24 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.48 1m9l h LYS 141 CO -0.34 -0.01 -0.06 1.28 -2.81 0.00 0.00 179.45 177.51 1m9l n LEU 142 N -3.90 -0.20 0.00 5.20 4.77 -0.62 -1.09 117.00 121.15 1m9l n LEU 142 Ca -0.00 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1m9l n LEU 142 Cb 0.01 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1m9l n LEU 142 CO 0.01 -0.24 0.00 -0.62 -1.33 0.00 0.00 177.39 175.20 1m9l n GLU 143 N 0.08 0.00 -3.59 3.23 4.71 -1.26 -3.28 120.64 120.53 1m9l n GLU 143 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.16 56.75 1m9l n GLU 143 Cb 0.02 -0.15 -0.07 0.00 -1.01 0.00 0.00 31.44 30.22 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 -1.98 5.71 -0.30 1.62 1.11 -0.76 -1.13 116.67 120.94 1m9l s ASP 144 Ca 0.00 -2.64 0.02 0.00 0.18 0.00 0.00 52.55 50.11 1m9l s ASP 144 Cb 0.00 -1.97 0.07 0.00 1.07 0.00 0.00 42.92 42.09 1m9l s ASP 144 CO 0.00 -0.48 -0.02 -1.48 1.18 0.00 0.00 175.17 174.37 1m9l s LEU 145 N 0.25 4.03 -0.32 1.23 2.34 -0.68 -1.58 118.68 123.96 1m9l s LEU 145 Ca 0.15 -1.63 -0.09 0.00 0.06 0.00 0.00 54.13 52.62 1m9l s LEU 145 Cb -0.19 -1.62 0.00 0.00 -0.56 0.00 0.00 46.19 43.82 1m9l s LEU 145 CO -0.04 -0.28 0.14 -0.22 -1.06 0.00 0.00 176.35 174.88 1m9l s LEU 146 N 1.08 4.14 -0.45 1.48 2.96 -0.55 -0.61 118.68 126.72 1m9l s LEU 146 Ca -0.02 -0.66 0.09 0.00 -0.22 0.00 0.00 54.13 53.32 1m9l s LEU 146 Cb -0.20 -1.97 0.31 0.00 0.50 0.00 0.00 46.19 44.83 1m9l s LEU 146 CO -0.05 -0.23 0.73 0.18 -1.32 0.00 0.00 176.35 175.66 1m9l n LEU 147 N 4.95 1.81 -0.09 -0.68 4.32 -1.24 -0.40 117.00 125.67 1m9l n LEU 147 Ca -0.14 -5.13 -0.13 0.00 -0.02 0.00 0.00 56.01 50.60 1m9l n LEU 147 Cb 0.48 0.26 -0.04 0.00 -1.62 0.00 0.00 43.42 42.50 1m9l n LEU 147 CO 0.34 2.22 0.60 0.00 -1.22 0.00 0.00 177.39 179.32 1m9l h ALA 148 N 3.38 0.40 -3.19 -1.18 0.00 -1.00 -3.43 119.26 114.24 1m9l h ALA 148 Ca 0.11 -0.37 -0.67 0.00 0.00 0.00 0.00 54.91 53.98 1m9l h ALA 148 Cb 0.81 -0.09 -0.31 0.00 0.00 0.00 0.00 17.79 18.20 1m9l h ALA 148 CO 0.60 0.36 -0.75 0.20 0.00 0.00 0.00 179.25 179.67 1m9l s GLY 149 N -3.60 1.61 0.00 0.00 0.00 0.88 -4.89 107.32 101.31 1m9l s GLY 149 Ca -0.13 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.21 1m9l s GLY 149 CO 0.81 0.49 0.00 1.16 0.00 0.00 0.00 173.10 175.56 1m9l n ASN 150 N 4.69 0.00 -0.31 1.64 0.23 -1.26 0.42 115.26 120.67 1m9l n ASN 150 Ca -0.17 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 53.99 1m9l n ASN 150 Cb 0.48 0.00 0.24 0.00 -2.08 0.00 0.00 39.78 38.42 1m9l n ASN 150 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 1m9l h PRO 151 N 0.00 0.06 0.09 -0.53 0.11 -1.71 0.05 132.00 130.07 1m9l h PRO 151 Ca 0.00 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.13 1m9l h PRO 151 Cb 0.00 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.05 1m9l h PRO 151 CO 0.00 0.04 -0.47 -0.07 -0.21 0.00 0.00 178.00 177.29 1m9l h LEU 152 N 0.06 -1.41 -0.05 2.35 3.38 -1.55 0.31 115.31 118.40 1m9l h LEU 152 Ca 0.53 0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.69 1m9l h LEU 152 Cb 1.04 0.53 -0.04 0.00 0.09 0.00 0.00 40.66 42.28 1m9l h LEU 152 CO -0.82 -0.51 -0.17 0.22 0.09 0.00 0.00 178.44 177.24 1m9l h TYR 153 N -0.68 -0.44 0.00 1.13 3.20 -1.46 -1.33 116.97 117.39 1m9l h TYR 153 Ca 0.02 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1m9l h TYR 153 Cb 0.71 0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.19 1m9l h TYR 153 CO -0.42 -0.25 -0.07 -0.91 -1.64 0.00 0.00 178.16 174.87 1m9l h ASN 154 N -0.25 0.00 0.02 -2.11 4.21 -0.92 -1.54 115.58 114.98 1m9l h ASN 154 Ca 0.07 0.00 -0.13 0.00 1.21 0.00 0.00 56.30 57.45 1m9l h ASN 154 Cb 0.35 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.56 1m9l h ASN 154 CO -0.20 0.07 -0.53 0.44 -1.29 0.00 0.00 177.43 175.92 1m9l h ASP 155 N 0.00 0.44 0.61 5.81 3.32 0.59 -3.33 116.42 123.86 1m9l h ASP 155 Ca -0.00 -0.79 -0.03 0.00 0.02 0.00 0.00 57.03 56.23 1m9l h ASP 155 Cb 0.19 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1m9l h ASP 155 CO 0.01 1.17 -0.34 0.22 -1.72 0.00 0.00 179.24 178.58 1m9l h TYR 156 N -0.25 -0.90 0.00 4.55 3.20 -0.78 -3.47 116.97 119.32 1m9l h TYR 156 Ca -0.07 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.79 1m9l h TYR 156 Cb 1.27 0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.85 1m9l h TYR 156 CO 0.16 -0.52 0.00 1.63 -1.64 0.00 0.00 178.16 177.79 1m9l n LYS 157 N -4.52 0.00 -0.20 1.82 4.76 -0.63 -4.76 118.16 114.63 1m9l n LYS 157 Ca -0.11 0.00 0.15 0.00 -2.87 0.00 0.00 58.31 55.48 1m9l n LYS 157 Cb 0.36 0.00 0.23 0.00 -1.84 0.00 0.00 35.03 33.78 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 -2.19 1.97 0.28 -1.12 -1.30 120.64 118.28 1m9l n GLU 158 Ca 0.00 0.30 0.00 0.00 -0.16 0.00 0.00 57.16 57.30 1m9l n GLU 158 Cb 0.00 -0.70 0.04 0.00 1.43 0.00 0.00 31.44 32.21 1m9l n GLU 158 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1m9l n ASN 159 N -2.53 0.61 0.00 -1.84 2.85 -1.26 -4.84 115.26 108.25 1m9l n ASN 159 Ca 0.12 -2.04 0.00 0.00 -0.11 0.00 0.00 54.58 52.55 1m9l n ASN 159 Cb 0.57 -0.15 0.00 0.00 1.24 0.00 0.00 39.78 41.44 1m9l n ASN 159 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1m9l n ASN 160 N -0.35 0.00 -0.04 1.20 5.15 -0.42 -4.90 115.26 115.90 1m9l n ASN 160 Ca -0.01 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 54.01 1m9l n ASN 160 Cb 0.91 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.99 1m9l n ASN 160 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1m9l n ALA 161 N -0.56 2.37 -0.02 5.20 0.00 -0.80 -3.87 120.51 122.83 1m9l n ALA 161 Ca 0.00 -0.77 -0.12 0.00 0.00 0.00 0.00 53.44 52.55 1m9l n ALA 161 Cb 0.00 -0.54 -0.07 0.00 0.00 0.00 0.00 19.45 18.83 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 1.22 -0.74 0.00 2.02 -1.88 0.68 112.91 114.20 1m9l h THR 162 Ca -0.18 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.34 1m9l h THR 162 Cb 1.39 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 69.29 1m9l h THR 162 CO 0.01 0.19 0.47 -1.28 0.37 0.00 0.00 175.52 175.27 1m9l h SER 163 N -0.12 0.86 -0.34 4.18 0.87 -1.77 -1.29 113.55 115.94 1m9l h SER 163 Ca 0.02 -0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.45 1m9l h SER 163 Cb 0.28 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 1m9l h SER 163 CO 0.00 0.64 -0.13 -0.08 -0.53 0.00 0.00 176.83 176.73 1m9l h GLU 164 N 1.01 0.78 0.18 2.24 4.22 -1.60 -1.27 114.58 120.13 1m9l h GLU 164 Ca 0.27 -0.27 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 1m9l h GLU 164 Cb -0.08 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1m9l h GLU 164 CO -0.05 0.87 -0.08 1.88 -2.18 0.00 0.00 179.01 179.44 1m9l h TYR 165 N 0.70 -0.22 -0.76 0.92 0.05 0.22 -0.47 116.97 117.41 1m9l h TYR 165 Ca 0.11 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.89 1m9l h TYR 165 Cb 0.62 0.07 -0.04 0.00 1.01 0.00 0.00 36.73 38.39 1m9l h TYR 165 CO 0.03 -0.01 0.49 -0.09 -1.05 0.00 0.00 178.16 177.53 1m9l h ARG 166 N -0.39 1.00 -0.76 4.88 1.12 -1.23 0.53 114.38 119.53 1m9l h ARG 166 Ca -0.02 -0.07 0.10 0.00 -1.11 0.00 0.00 59.98 58.87 1m9l h ARG 166 Cb 0.30 -0.22 -0.07 0.00 -0.01 0.00 0.00 29.97 29.97 1m9l h ARG 166 CO 0.04 0.67 0.40 0.82 -3.11 0.00 0.00 179.97 178.80 1m9l h ILE 167 N 1.03 0.87 0.00 1.20 2.04 -1.12 0.41 117.51 121.93 1m9l h ILE 167 Ca 0.28 -0.23 -0.09 0.00 1.00 0.00 0.00 64.86 65.82 1m9l h ILE 167 Cb -0.10 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.10 1m9l h ILE 167 CO -0.06 0.12 -0.41 -0.08 0.00 0.00 0.00 178.15 177.72 1m9l h GLU 168 N 0.67 0.00 0.00 2.37 4.81 0.08 -0.18 114.58 122.34 1m9l h GLU 168 Ca 0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1m9l h GLU 168 Cb 0.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1m9l h GLU 168 CO -0.26 0.41 0.00 0.28 -0.73 0.00 0.00 179.01 178.71 1m9l n VAL 169 N -4.04 0.00 -0.31 0.32 0.31 0.06 -0.47 118.33 114.21 1m9l n VAL 169 Ca -0.02 0.87 0.34 0.00 -0.01 0.00 0.00 64.34 65.53 1m9l n VAL 169 Cb 0.44 -1.70 0.75 0.00 -0.91 0.00 0.00 33.84 32.42 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 0.42 0.00 2.52 3.04 -1.11 0.08 116.25 121.21 1m9l h VAL 170 Ca 0.00 -0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.63 1m9l h VAL 170 Cb 0.00 0.42 -0.01 0.00 -2.01 0.00 0.00 31.29 29.69 1m9l h VAL 170 CO 0.00 0.00 -0.58 0.50 -1.01 0.00 0.00 177.57 176.48 1m9l h LYS 171 N 0.00 0.00 0.00 4.17 3.64 -1.12 -3.46 116.57 119.81 1m9l h LYS 171 Ca 0.55 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.62 1m9l h LYS 171 Cb 2.20 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.96 1m9l h LYS 171 CO -0.01 0.31 -2.18 0.54 -2.27 0.00 0.00 179.45 175.84 1m9l n ARG 172 N -4.60 1.00 -3.59 1.90 1.74 0.38 -5.04 116.66 108.45 1m9l n ARG 172 Ca -0.12 0.04 -0.37 0.00 -0.77 0.00 0.00 57.85 56.62 1m9l n ARG 172 Cb 0.34 -1.43 -0.06 0.00 -1.02 0.00 0.00 32.46 30.28 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 -5.60 4.39 -0.10 0.55 1.43 -0.01 -4.99 118.68 114.35 1m9l s LEU 173 Ca -0.16 0.73 0.03 0.00 -1.03 0.00 0.00 54.13 53.70 1m9l s LEU 173 Cb 0.06 -2.41 -0.24 0.00 0.03 0.00 0.00 46.19 43.62 1m9l s LEU 173 CO 0.62 0.28 0.43 -0.81 0.23 0.00 0.00 176.35 177.10 1m9l n PRO 174 N 2.36 0.70 0.00 1.29 -0.04 -1.26 -4.60 135.00 133.45 1m9l n PRO 174 Ca -0.15 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1m9l n PRO 174 Cb 0.53 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1m9l n PRO 174 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1m9l n ASN 175 N -3.26 0.00 0.00 3.54 3.02 -1.26 -4.91 115.26 112.39 1m9l n ASN 175 Ca -0.27 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.28 1m9l n ASN 175 Cb 1.05 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.22 1m9l n ASN 175 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1m9l n LEU 176 N 0.00 0.00 -0.01 3.41 7.94 -0.25 -4.97 117.00 123.12 1m9l n LEU 176 Ca 0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.88 1m9l n LEU 176 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 1m9l n LEU 176 CO 0.00 0.00 -0.59 0.29 -1.11 0.00 0.00 177.39 175.98 1m9l n LYS 177 N 0.00 0.06 -3.40 1.96 5.02 -1.25 -4.89 118.16 115.67 1m9l n LYS 177 Ca 0.00 0.02 -0.37 0.00 -2.02 0.00 0.00 58.31 55.93 1m9l n LYS 177 Cb 0.00 -0.94 -0.04 0.00 -0.02 0.00 0.00 35.03 34.03 1m9l n LYS 177 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1m9l n LYS 178 N -2.71 3.22 -2.62 1.97 4.76 -0.29 -4.98 118.16 117.51 1m9l n LYS 178 Ca -0.05 -4.54 -0.42 0.00 -2.87 0.00 0.00 58.31 50.43 1m9l n LYS 178 Cb 0.55 -2.43 -0.01 0.00 -1.84 0.00 0.00 35.03 31.30 1m9l n LYS 178 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1m9l s LEU 179 N -1.95 3.89 0.00 -0.35 2.96 -1.26 -1.68 118.68 120.28 1m9l s LEU 179 Ca 0.31 -2.15 0.00 0.00 -0.22 0.00 0.00 54.13 52.07 1m9l s LEU 179 Cb -0.00 -2.55 0.00 0.00 0.50 0.00 0.00 46.19 44.13 1m9l s LEU 179 CO -0.04 -1.24 0.00 -0.67 -1.32 0.00 0.00 176.35 173.08 1m9l n ASP 180 N 8.25 0.00 0.00 3.68 -0.08 0.22 -4.69 116.55 123.92 1m9l n ASP 180 Ca 0.42 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.70 1m9l n ASP 180 Cb 0.47 -1.31 0.00 0.00 2.34 0.00 0.00 41.12 42.62 1m9l n ASP 180 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1m9l n GLY 181 N -2.00 -0.05 0.15 0.27 0.00 -1.26 -4.36 105.19 97.94 1m9l n GLY 181 Ca 0.00 0.34 0.03 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.04 -0.26 1.61 2.81 -1.26 -1.66 117.12 118.31 1m9l n MET 182 Ca 0.00 0.65 0.32 0.00 -1.81 0.00 0.00 57.70 56.86 1m9l n MET 182 Cb 0.00 -0.98 0.61 0.00 -0.71 0.00 0.00 33.22 32.14 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 -0.69 0.03 0.13 -1.85 -3.22 132.00 126.40 1m9l h PRO 183 Ca 0.21 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.40 1m9l h PRO 183 Cb 0.35 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.39 1m9l h PRO 183 CO -0.42 0.00 -0.42 -0.39 -0.23 0.00 0.00 178.00 176.53 1m9l h VAL 184 N 0.00 0.00 -2.56 1.56 -1.51 -1.69 -3.40 116.25 108.66 1m9l h VAL 184 Ca 0.53 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.99 1m9l h VAL 184 Cb 2.65 0.00 -0.00 0.00 -2.13 0.00 0.00 31.29 31.81 1m9l h VAL 184 CO -0.01 0.00 -0.01 0.47 -1.23 0.00 0.00 177.57 176.79 1m9l n ASP 185 N -4.61 -0.32 0.00 4.19 8.00 -1.22 -1.11 116.55 121.48 1m9l n ASP 185 Ca 0.01 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1m9l n ASP 185 Cb 0.19 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 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 -1.32 0.00 0.11 2.53 3.14 -1.26 -4.93 118.33 116.59 1m9l n VAL 186 Ca -0.00 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.37 1m9l n VAL 186 Cb 0.11 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.86 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 0.00 0.37 6.55 3.58 -1.43 -3.14 116.42 122.35 1m9l h ASP 187 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1m9l h ASP 187 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1m9l h ASP 187 CO 0.00 0.68 0.00 -0.62 -2.88 0.00 0.00 179.24 176.42 1m9l n GLU 188 N -3.25 0.01 -0.03 0.28 -0.58 -1.21 -0.39 120.64 115.47 1m9l n GLU 188 Ca 0.01 0.31 0.12 0.00 -0.42 0.00 0.00 57.16 57.18 1m9l n GLU 188 Cb 0.81 -1.50 0.23 0.00 -0.57 0.00 0.00 31.44 30.41 1m9l n GLU 188 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1m9l n ARG 189 N -1.49 2.17 0.02 3.49 5.12 -1.19 -2.87 116.66 121.91 1m9l n ARG 189 Ca 0.03 -1.70 0.00 0.00 -1.93 0.00 0.00 57.85 54.24 1m9l n ARG 189 Cb 0.13 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 29.96 1m9l n ARG 189 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1m9l n GLU 190 N 1.04 0.00 -0.03 5.56 2.13 0.28 -4.53 120.64 125.09 1m9l n GLU 190 Ca 0.16 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.82 1m9l n GLU 190 Cb 0.53 -0.10 -0.09 0.00 0.27 0.00 0.00 31.44 32.05 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 0.00 0.47 0.00 5.31 -0.00 -0.98 0.66 115.11 120.57 1m9l h GLN 191 Ca 0.00 -0.38 -0.03 0.00 -0.00 0.00 0.00 58.65 58.24 1m9l h GLN 191 Cb 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 27.48 27.55 1m9l h GLN 191 CO 0.00 1.01 -0.14 0.00 0.00 0.00 0.00 178.83 179.70 1m9l h ALA 192 N 0.46 1.06 0.21 3.38 0.00 -1.65 -0.46 119.26 122.27 1m9l h ALA 192 Ca -0.03 -0.13 -0.34 0.00 0.00 0.00 0.00 54.91 54.41 1m9l h ALA 192 Cb 1.09 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.88 1m9l h ALA 192 CO 0.09 0.18 -1.60 -0.97 0.00 0.00 0.00 179.25 176.95 1m9l h ASN 193 N 0.00 0.71 -0.25 0.00 -1.24 -1.46 -0.92 115.58 112.42 1m9l h ASN 193 Ca -0.00 -0.93 -0.10 0.00 0.71 0.00 0.00 56.30 55.98 1m9l h ASN 193 Cb 0.59 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.40 1m9l h ASN 193 CO 0.02 1.74 -0.19 0.58 -1.29 0.00 0.00 177.43 178.29 1m9l h VAL 194 N 0.10 1.27 -0.09 2.57 2.07 -0.66 0.23 116.25 121.72 1m9l h VAL 194 Ca -0.30 -1.27 -0.16 0.00 0.82 0.00 0.00 66.70 65.79 1m9l h VAL 194 Cb 2.11 1.19 0.01 0.00 -1.52 0.00 0.00 31.29 33.08 1m9l h VAL 194 CO 0.22 0.42 -0.57 0.00 0.02 0.00 0.00 177.57 177.66 1m9l h ALA 195 N 1.16 0.20 -0.18 1.67 0.00 -1.16 -3.22 119.26 117.72 1m9l h ALA 195 Ca 0.09 -0.53 0.05 0.00 0.00 0.00 0.00 54.91 54.52 1m9l h ALA 195 Cb 0.67 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 1m9l h ALA 195 CO 0.05 0.43 -0.18 0.00 0.00 0.00 0.00 179.25 179.55 1m9l h ARG 196 N 0.16 -0.19 0.00 0.00 2.47 -1.01 -3.45 114.38 112.36 1m9l h ARG 196 Ca -0.04 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1m9l h ARG 196 Cb 1.22 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.59 1m9l h ARG 196 CO 0.12 -0.13 0.00 0.41 0.56 0.00 0.00 179.97 180.93 1m9l n GLY 197 N -1.33 0.00 0.00 0.04 0.00 -0.57 -5.08 105.19 98.25 1m9l n GLY 197 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1m9l n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93