#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 0.64 -3.00 3.04 0.00 -1.26 -4.37 120.51 115.56 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 1.63 0.00 0.00 0.00 177.50 179.13 1m9l n LYS 3 N -0.42 2.21 -3.15 0.00 5.02 -1.26 -4.12 118.16 116.44 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 -2.37 0.00 7.82 0.00 -1.26 -4.91 121.76 119.03 1m9l s ALA 4 Ca 0.00 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1m9l s ALA 4 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 20.78 1m9l s ALA 4 CO 0.00 -1.55 0.00 0.25 0.00 0.00 0.00 175.76 174.46 1m9l n THR 5 N 5.42 0.00 -3.24 0.00 -2.24 -1.26 -4.52 114.28 108.44 1m9l n THR 5 Ca 0.01 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.48 1m9l n THR 5 Cb 0.52 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.71 1m9l n THR 5 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1m9l s THR 6 N 2.92 4.87 0.11 4.28 2.01 -1.26 -3.62 115.64 124.95 1m9l s THR 6 Ca 0.00 0.51 -0.34 0.00 0.31 0.00 0.00 61.69 62.17 1m9l s THR 6 Cb 0.00 -3.66 -0.13 0.00 0.01 0.00 0.00 72.50 68.72 1m9l s THR 6 CO 0.00 -0.23 1.56 -0.29 -0.69 0.00 0.00 174.62 174.97 1m9l h ILE 7 N 1.70 0.02 0.05 1.82 -0.00 -1.91 0.11 117.51 119.30 1m9l h ILE 7 Ca -0.47 0.00 0.01 0.00 -0.00 0.00 0.00 64.86 64.40 1m9l h ILE 7 Cb 1.18 0.02 -0.04 0.00 -0.00 0.00 0.00 36.82 37.98 1m9l h ILE 7 CO 0.67 0.00 -0.41 0.11 -0.00 0.00 0.00 178.15 178.52 1m9l h LYS 8 N -0.70 -0.53 0.22 2.19 1.57 -1.96 -0.21 116.57 117.16 1m9l h LYS 8 Ca 0.01 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1m9l h LYS 8 Cb 0.73 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.13 1m9l h LYS 8 CO -0.33 -0.35 -0.43 -0.44 -0.57 0.00 0.00 179.45 177.33 1m9l h ASP 9 N -0.55 -1.25 -0.74 0.86 3.32 -1.97 -1.76 116.42 114.33 1m9l h ASP 9 Ca 0.00 0.12 0.16 0.00 0.02 0.00 0.00 57.03 57.33 1m9l h ASP 9 Cb 0.57 0.45 -0.13 0.00 0.22 0.00 0.00 39.33 40.43 1m9l h ASP 9 CO -0.25 -0.50 -0.07 0.00 -1.72 0.00 0.00 179.24 176.71 1m9l h ALA 10 N -0.85 0.66 -0.46 3.45 0.00 -0.63 0.25 119.26 121.69 1m9l h ALA 10 Ca -0.02 0.26 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 1m9l h ALA 10 Cb 0.66 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1m9l h ALA 10 CO -0.17 -0.42 -0.17 0.82 0.00 0.00 0.00 179.25 179.31 1m9l h ILE 11 N 0.06 1.27 -0.46 0.00 2.04 -0.87 0.10 117.51 119.65 1m9l h ILE 11 Ca 0.39 -1.31 -0.07 0.00 1.00 0.00 0.00 64.86 64.86 1m9l h ILE 11 Cb 0.65 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1m9l h ILE 11 CO -0.70 0.45 -0.01 -0.09 0.00 0.00 0.00 178.15 177.80 1m9l h ARG 12 N 0.76 0.76 -0.59 2.37 2.43 -0.39 -1.38 114.38 118.36 1m9l h ARG 12 Ca 0.11 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 59.03 1m9l h ARG 12 Cb 0.73 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 1m9l h ARG 12 CO 0.06 0.78 0.20 0.82 -1.51 0.00 0.00 179.97 180.32 1m9l h ILE 13 N 0.71 1.22 -0.09 1.20 2.04 -0.16 0.21 117.51 122.65 1m9l h ILE 13 Ca 0.14 -0.73 -0.14 0.00 1.00 0.00 0.00 64.86 65.13 1m9l h ILE 13 Cb 0.45 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1m9l h ILE 13 CO 0.02 0.28 -0.58 -0.26 0.00 0.00 0.00 178.15 177.61 1m9l h PHE 14 N 0.85 0.36 0.00 1.37 0.04 -0.19 0.31 116.94 119.69 1m9l h PHE 14 Ca 0.20 -0.13 -0.04 0.00 2.80 0.00 0.00 57.97 60.79 1m9l h PHE 14 Cb 0.21 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 1m9l h PHE 14 CO 0.01 0.80 -0.19 1.49 -0.60 0.00 0.00 178.31 179.82 1m9l h GLU 15 N 0.22 0.00 0.00 1.51 4.81 -0.24 0.24 114.58 121.11 1m9l h GLU 15 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1m9l h GLU 15 Cb 1.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1m9l h GLU 15 CO 0.09 0.19 -0.59 0.39 -0.73 0.00 0.00 179.01 178.37 1m9l n GLU 16 N -3.69 0.39 0.09 1.92 1.02 -0.03 -3.46 120.64 116.87 1m9l n GLU 16 Ca -0.01 0.33 -0.04 0.00 -0.02 0.00 0.00 57.16 57.41 1m9l n GLU 16 Cb 0.31 -1.37 -0.02 0.00 -0.02 0.00 0.00 31.44 30.34 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 -0.79 -0.27 -0.62 3.49 2.43 -0.55 -3.23 114.38 114.84 1m9l h ARG 17 Ca 0.00 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 1m9l h ARG 17 Cb 0.59 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.16 1m9l h ARG 17 CO 0.00 -0.18 0.41 -0.22 -1.51 0.00 0.00 179.97 178.48 1m9l h LYS 18 N -0.70 0.54 -3.72 0.20 3.11 -1.60 -3.47 116.57 110.93 1m9l h LYS 18 Ca -0.03 -0.03 -0.10 0.00 -2.81 0.00 0.00 60.65 57.67 1m9l h LYS 18 Cb 0.21 -0.12 0.07 0.00 -1.00 0.00 0.00 32.23 31.39 1m9l h LYS 18 CO 0.05 0.35 -0.31 -1.13 -2.81 0.00 0.00 179.45 175.60 1m9l n SER 19 N -4.48 -3.13 0.00 4.20 3.41 0.76 -4.98 113.62 109.41 1m9l n SER 19 Ca 0.09 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1m9l n SER 19 Cb 0.28 -2.26 0.00 0.00 -0.26 0.00 0.00 64.21 61.97 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 -2.16 0.00 -3.97 -3.33 0.24 -0.71 -4.96 118.33 103.44 1m9l n VAL 20 Ca -0.06 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.94 1m9l n VAL 20 Cb 0.55 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.77 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 -0.44 2.01 -0.04 3.34 1.01 -1.26 -4.32 120.40 120.69 1m9l s VAL 21 Ca 0.00 -2.09 -0.04 0.00 0.00 0.00 0.00 61.98 59.84 1m9l s VAL 21 Cb 0.00 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 1m9l s VAL 21 CO 0.00 -0.55 -0.08 0.00 0.00 0.00 0.00 175.10 174.47 1m9l n ALA 22 N 4.38 0.43 0.00 5.51 0.00 -1.26 -4.11 120.51 125.46 1m9l n ALA 22 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1m9l n ALA 22 Cb 0.42 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 -2.99 0.00 0.00 0.00 -1.04 -1.26 -1.55 114.28 107.44 1m9l n THR 23 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1m9l n THR 23 Cb 0.12 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 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 -1.65 -2.82 2.13 -1.26 -5.07 120.64 111.96 1m9l n GLU 24 Ca 0.00 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.49 1m9l n GLU 24 Cb 0.00 0.00 0.06 0.00 0.27 0.00 0.00 31.44 31.77 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 2.37 0.36 4.31 0.00 -0.59 -4.71 121.76 121.49 1m9l s ALA 25 Ca 0.00 0.62 0.06 0.00 0.00 0.00 0.00 51.96 52.64 1m9l s ALA 25 Cb 0.00 -3.35 0.75 0.00 0.00 0.00 0.00 23.12 20.52 1m9l s ALA 25 CO 0.00 -1.45 1.94 0.93 0.00 0.00 0.00 175.76 177.18 1m9l h GLU 26 N -0.10 0.73 -5.86 0.00 3.07 -1.89 -3.38 114.58 107.15 1m9l h GLU 26 Ca -0.47 -0.04 -0.62 0.00 -0.50 0.00 0.00 59.36 57.73 1m9l h GLU 26 Cb 1.26 -0.16 -0.12 0.00 -0.84 0.00 0.00 28.75 28.88 1m9l h GLU 26 CO 0.53 0.48 0.44 0.15 -1.40 0.00 0.00 179.01 179.21 1m9l s LYS 27 N -5.68 3.41 -0.28 2.33 1.02 -1.26 -0.15 119.74 119.13 1m9l s LYS 27 Ca -0.10 -0.09 0.01 0.00 0.02 0.00 0.00 55.97 55.81 1m9l s LYS 27 Cb 0.20 -3.96 0.08 0.00 -0.52 0.00 0.00 37.83 33.63 1m9l s LYS 27 CO 0.78 -1.21 0.00 0.08 -0.92 0.00 0.00 175.35 174.08 1m9l s VAL 28 N 3.51 1.65 -0.87 3.17 1.01 -0.68 -4.76 120.40 123.42 1m9l s VAL 28 Ca 0.31 -1.61 -0.18 0.00 0.00 0.00 0.00 61.98 60.50 1m9l s VAL 28 Cb -0.12 -2.06 0.14 0.00 0.00 0.00 0.00 36.38 34.34 1m9l s VAL 28 CO 0.23 -0.36 1.03 -1.61 0.00 0.00 0.00 175.10 174.39 1m9l s GLU 29 N 1.28 3.53 0.00 2.72 0.41 -1.26 -1.33 118.70 124.05 1m9l s GLU 29 Ca 0.02 -1.77 0.00 0.00 -0.41 0.00 0.00 54.97 52.81 1m9l s GLU 29 Cb -0.19 -4.75 0.00 0.00 -1.78 0.00 0.00 34.13 27.41 1m9l s GLU 29 CO -0.11 -1.69 0.00 1.28 -0.49 0.00 0.00 175.26 174.25 1m9l n LEU 30 N 6.24 0.00 0.00 1.80 4.77 -0.55 -4.59 117.00 124.67 1m9l n LEU 30 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1m9l n LEU 30 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1m9l n LEU 30 CO 0.49 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 178.12 1m9l n HIS 31 N 0.00 0.00 -3.56 -1.77 -0.00 -1.26 -4.71 115.22 103.92 1m9l n HIS 31 Ca 0.00 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.08 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 -0.72 -0.44 -0.08 1.57 0.00 -1.26 -1.14 107.32 105.24 1m9l s GLY 32 Ca 0.00 0.34 -0.13 0.00 0.00 0.00 0.00 44.72 44.93 1m9l s GLY 32 CO 0.00 0.11 0.33 -0.29 0.00 0.00 0.00 173.10 173.25 1m9l s MET 33 N -3.67 0.52 0.07 2.90 1.75 -0.52 -0.16 119.30 120.19 1m9l s MET 33 Ca 0.05 0.19 -0.30 0.00 -1.25 0.00 0.00 55.69 54.38 1m9l s MET 33 Cb -0.02 0.24 -0.05 0.00 2.84 0.00 0.00 34.83 37.84 1m9l s MET 33 CO -0.07 -0.11 0.96 0.96 -0.65 0.00 0.00 175.02 176.12 1m9l s ILE 34 N -0.48 4.64 0.28 10.11 -4.36 -1.26 -2.50 121.20 127.63 1m9l s ILE 34 Ca -0.06 2.05 -0.04 0.00 -0.26 0.00 0.00 60.65 62.34 1m9l s ILE 34 Cb -0.04 -4.32 0.37 0.00 1.25 0.00 0.00 42.46 39.73 1m9l s ILE 34 CO 0.02 0.26 1.59 -0.65 0.24 0.00 0.00 174.94 176.40 1m9l h PRO 35 N 6.03 0.03 0.00 0.37 0.11 -1.97 -1.80 132.00 134.77 1m9l h PRO 35 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1m9l h PRO 35 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1m9l h PRO 35 CO 0.73 0.02 0.00 -2.30 -0.21 0.00 0.00 178.00 176.24 1m9l n PRO 36 N -5.48 0.20 -1.66 1.05 -0.02 -1.26 -0.63 135.00 127.19 1m9l n PRO 36 Ca 0.17 0.00 -0.60 0.00 -2.02 0.00 0.00 63.50 61.06 1m9l n PRO 36 Cb 0.58 -1.01 -0.08 0.00 -0.02 0.00 0.00 33.50 32.96 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 -0.51 0.20 0.00 4.25 3.06 -0.68 -4.82 119.36 120.86 1m9l n ILE 37 Ca 0.00 -0.05 0.00 0.00 -2.50 0.00 0.00 62.75 60.20 1m9l n ILE 37 Cb 0.00 -1.02 0.00 0.00 0.54 0.00 0.00 39.64 39.16 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 5.46 0.00 -3.33 9.51 2.13 -1.25 -1.59 120.64 131.57 1m9l n GLU 38 Ca 0.31 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.75 1m9l n GLU 38 Cb 0.08 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.72 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 0.01 4.25 -1.15 5.31 1.02 -1.26 -3.79 119.74 124.11 1m9l s LYS 39 Ca 0.00 0.35 -0.03 0.00 0.02 0.00 0.00 55.97 56.31 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 0.02 2.11 -1.33 -0.92 0.00 0.00 175.35 175.22 1m9l n MET 40 N 4.22 4.97 -0.12 1.68 2.81 -1.26 -4.15 117.12 125.26 1m9l n MET 40 Ca -0.07 -4.05 0.17 0.00 -1.81 0.00 0.00 57.70 51.94 1m9l n MET 40 Cb 0.51 -2.54 0.56 0.00 -0.71 0.00 0.00 33.22 31.04 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 4.35 0.28 0.26 7.83 3.58 -1.92 -1.13 116.42 129.67 1m9l h ASP 41 Ca 0.61 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 58.07 1m9l h ASP 41 Cb 0.31 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 1m9l h ASP 41 CO 1.32 0.15 -0.25 0.00 -2.88 0.00 0.00 179.24 177.57 1m9l h ALA 42 N 1.67 -0.96 -0.59 -0.78 0.00 -1.83 -1.36 119.26 115.39 1m9l h ALA 42 Ca 0.34 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.27 1m9l h ALA 42 Cb 0.90 0.48 -0.12 0.00 0.00 0.00 0.00 17.79 19.06 1m9l h ALA 42 CO -0.09 -0.98 -0.22 1.15 0.00 0.00 0.00 179.25 179.12 1m9l h THR 43 N -0.51 0.30 -0.80 0.00 2.02 -1.80 0.13 112.91 112.25 1m9l h THR 43 Ca -0.03 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.31 1m9l h THR 43 Cb 0.44 0.30 -0.15 0.00 -1.74 0.00 0.00 68.15 67.00 1m9l h THR 43 CO -0.02 0.00 -0.20 0.25 0.37 0.00 0.00 175.52 175.91 1m9l h LEU 44 N -0.07 -0.75 0.00 2.58 5.85 -0.86 0.43 115.31 122.48 1m9l h LEU 44 Ca 0.27 0.24 -0.05 0.00 0.84 0.00 0.00 57.88 59.18 1m9l h LEU 44 Cb 0.50 0.50 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1m9l h LEU 44 CO -0.64 -0.27 -0.55 0.28 -0.34 0.00 0.00 178.44 176.92 1m9l h SER 45 N -0.00 0.00 0.00 1.25 0.02 -0.64 -3.35 113.55 110.82 1m9l h SER 45 Ca 0.38 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1m9l h SER 45 Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1m9l h SER 45 CO -0.83 0.90 0.17 1.07 -1.14 0.00 0.00 176.83 177.00 1m9l n THR 46 N -4.60 1.30 -0.31 -2.27 5.66 0.41 -1.84 114.28 112.63 1m9l n THR 46 Ca -0.12 0.52 -0.01 0.00 -3.05 0.00 0.00 64.05 61.39 1m9l n THR 46 Cb 0.33 -1.52 0.03 0.00 -1.55 0.00 0.00 70.33 67.62 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 -1.40 -0.54 -0.32 1.09 0.00 0.15 -0.21 117.00 115.77 1m9l n LEU 47 Ca -0.00 1.40 0.19 0.00 0.00 0.00 0.00 56.01 57.60 1m9l n LEU 47 Cb 0.17 -0.31 0.38 0.00 0.00 0.00 0.00 43.42 43.66 1m9l n LEU 47 CO 0.01 -1.25 0.96 0.11 0.00 0.00 0.00 177.39 177.22 1m9l h LYS 48 N 0.00 0.13 0.00 1.96 1.79 -1.65 0.25 116.57 119.04 1m9l h LYS 48 Ca 0.27 -0.01 -0.18 0.00 -2.18 0.00 0.00 60.65 58.55 1m9l h LYS 48 Cb 0.47 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.06 1m9l h LYS 48 CO -0.79 0.08 -1.43 0.00 -1.08 0.00 0.00 179.45 176.23 1m9l n ALA 49 N -2.66 1.90 -1.25 3.86 0.00 0.71 -5.02 120.51 118.05 1m9l n ALA 49 Ca 0.27 -0.55 -0.49 0.00 0.00 0.00 0.00 53.44 52.67 1m9l n ALA 49 Cb 0.88 -0.96 -0.07 0.00 0.00 0.00 0.00 19.45 19.30 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 2.66 0.00 -3.32 0.00 3.00 -1.23 -4.17 118.16 115.08 1m9l n LYS 51 Ca 0.21 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 58.13 1m9l n LYS 51 Cb -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 34.97 1m9l n LYS 51 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1m9l n HIS 52 N -3.00 3.74 -2.70 5.64 -0.00 0.79 -0.38 115.22 119.30 1m9l n HIS 52 Ca 0.00 -3.56 -0.43 0.00 0.46 0.00 0.00 57.72 54.19 1m9l n HIS 52 Cb 0.00 -1.23 -0.03 0.00 -0.12 0.00 0.00 29.99 28.61 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 -2.00 3.85 -0.19 0.27 2.96 -0.33 -1.68 118.68 121.56 1m9l s LEU 53 Ca 0.31 0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 54.75 1m9l s LEU 53 Cb -0.01 -3.41 0.00 0.00 0.50 0.00 0.00 46.19 43.28 1m9l s LEU 53 CO -0.02 -1.05 -0.13 0.00 -1.32 0.00 0.00 176.35 173.83 1m9l s ALA 54 N 3.93 2.55 0.00 5.97 0.00 -0.44 -0.52 121.76 133.25 1m9l s ALA 54 Ca 0.43 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1m9l s ALA 54 Cb -0.10 -1.39 0.00 0.00 0.00 0.00 0.00 23.12 21.64 1m9l s ALA 54 CO 0.24 -0.31 0.00 1.28 0.00 0.00 0.00 175.76 176.98 1m9l n LEU 55 N 4.56 0.00 0.00 0.00 7.99 -0.60 -1.48 117.00 127.46 1m9l n LEU 55 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.81 1m9l n LEU 55 Cb 0.51 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.82 1m9l n LEU 55 CO 0.28 0.00 0.00 -0.24 -1.51 0.00 0.00 177.39 175.92 1m9l n SER 56 N -0.29 0.00 -4.41 -1.43 2.88 -1.23 -4.57 113.62 104.57 1m9l n SER 56 Ca 0.00 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 57.09 1m9l n SER 56 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 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 0.54 5.11 0.06 2.46 -1.32 -0.29 -0.46 115.64 121.74 1m9l s THR 57 Ca 0.00 -2.13 0.08 0.00 -1.21 0.00 0.00 61.69 58.44 1m9l s THR 57 Cb 0.00 -4.71 -0.03 0.00 -1.51 0.00 0.00 72.50 66.25 1m9l s THR 57 CO 0.00 -1.38 -0.23 0.54 -2.21 0.00 0.00 174.62 171.34 1m9l s ASN 58 N 2.94 2.81 0.03 8.08 4.22 -0.49 -1.44 114.94 131.09 1m9l s ASN 58 Ca 0.30 -0.58 0.08 0.00 -2.14 0.00 0.00 52.86 50.52 1m9l s ASN 58 Cb -0.06 -0.23 -0.02 0.00 1.28 0.00 0.00 41.25 42.21 1m9l s ASN 58 CO -0.08 0.19 -0.23 0.20 -2.04 0.00 0.00 177.10 175.14 1m9l s ASN 59 N -1.35 2.70 -0.09 3.54 0.01 -1.04 -1.66 114.94 117.04 1m9l s ASN 59 Ca 0.10 -0.51 -0.03 0.00 -0.71 0.00 0.00 52.86 51.70 1m9l s ASN 59 Cb -0.09 -0.25 0.04 0.00 0.41 0.00 0.00 41.25 41.36 1m9l s ASN 59 CO 0.03 0.21 0.06 -0.63 -1.51 0.00 0.00 177.10 175.26 1m9l s ILE 60 N -0.74 -0.01 -0.22 0.60 1.01 -0.29 -3.90 121.20 117.66 1m9l s ILE 60 Ca 0.09 0.15 -0.17 0.00 0.00 0.00 0.00 60.65 60.72 1m9l s ILE 60 Cb -0.09 -0.38 -0.18 0.00 0.01 0.00 0.00 42.46 41.82 1m9l s ILE 60 CO 0.01 0.02 0.05 -0.62 0.00 0.00 0.00 174.94 174.41 1m9l n GLU 61 N 5.26 0.59 -4.06 2.79 1.02 0.20 -3.86 120.64 122.58 1m9l n GLU 61 Ca -0.05 0.45 -0.20 0.00 -0.02 0.00 0.00 57.16 57.34 1m9l n GLU 61 Cb 0.50 -1.66 -0.16 0.00 -0.02 0.00 0.00 31.44 30.09 1m9l n GLU 61 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1m9l s LYS 62 N -2.43 0.70 -0.67 3.49 2.20 -0.62 -4.65 119.74 117.77 1m9l s LYS 62 Ca -0.31 -0.04 0.05 0.00 -0.36 0.00 0.00 55.97 55.31 1m9l s LYS 62 Cb 0.09 -0.79 0.20 0.00 -1.51 0.00 0.00 37.83 35.81 1m9l s LYS 62 CO 0.58 -0.12 0.59 1.51 -0.36 0.00 0.00 175.35 177.54 1m9l n ILE 63 N 4.23 1.77 0.24 5.43 0.00 -1.26 -3.93 119.36 125.84 1m9l n ILE 63 Ca -0.23 -4.94 0.09 0.00 0.00 0.00 0.00 62.75 57.68 1m9l n ILE 63 Cb 0.51 -2.13 0.63 0.00 0.00 0.00 0.00 39.64 38.64 1m9l n ILE 63 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 1m9l h SER 64 N 4.91 0.00 -0.08 9.51 0.87 -1.94 -3.34 113.55 123.47 1m9l h SER 64 Ca 0.17 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.46 1m9l h SER 64 Cb 0.73 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.62 1m9l h SER 64 CO 0.75 0.16 0.20 -1.54 -0.53 0.00 0.00 176.83 175.86 1m9l n SER 65 N -3.89 5.77 -0.10 6.23 3.41 -1.26 -4.61 113.62 119.17 1m9l n SER 65 Ca -0.02 -2.54 -0.07 0.00 -0.26 0.00 0.00 58.87 55.97 1m9l n SER 65 Cb 0.25 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 62.78 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 5.18 0.20 -0.99 1.04 -0.00 -1.88 -1.37 115.31 117.49 1m9l h LEU 66 Ca 0.29 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.19 1m9l h LEU 66 Cb 1.31 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.96 1m9l h LEU 66 CO 0.47 0.15 0.00 -1.54 -0.00 0.00 0.00 178.44 177.52 1m9l n SER 67 N -4.97 0.57 -0.01 0.17 3.41 -1.26 -0.90 113.62 110.62 1m9l n SER 67 Ca 0.00 0.70 -0.21 0.00 -0.26 0.00 0.00 58.87 59.10 1m9l n SER 67 Cb 0.09 -0.80 -0.14 0.00 -0.26 0.00 0.00 64.21 63.11 1m9l n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1m9l n GLY 68 N -0.67 -0.59 0.33 5.00 0.00 -0.68 -3.46 105.19 105.12 1m9l n GLY 68 Ca 0.00 -0.24 0.14 0.00 0.00 0.00 0.00 46.02 45.93 1m9l n GLY 68 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1m9l h MET 69 N -0.06 0.07 -4.01 1.61 2.07 -0.65 -3.11 114.93 110.84 1m9l h MET 69 Ca -0.42 -0.00 -0.60 0.00 -2.07 0.00 0.00 59.70 56.60 1m9l h MET 69 Cb 1.94 -0.01 0.02 0.00 -1.87 0.00 0.00 31.60 31.68 1m9l h MET 69 CO 0.05 0.04 2.69 -1.91 1.07 0.00 0.00 176.91 178.85 1m9l n GLU 70 N -4.45 2.11 0.00 1.72 2.13 -0.08 -1.38 120.64 120.69 1m9l n GLU 70 Ca 0.05 -1.95 0.00 0.00 0.66 0.00 0.00 57.16 55.91 1m9l n GLU 70 Cb 0.37 -2.88 0.00 0.00 0.27 0.00 0.00 31.44 29.19 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 6.11 0.00 -4.76 4.31 2.85 -1.17 -4.92 115.26 117.67 1m9l n ASN 71 Ca 0.51 0.00 -0.34 0.00 -0.11 0.00 0.00 54.58 54.64 1m9l n ASN 71 Cb 0.32 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.38 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 3.54 0.09 1.20 2.96 -0.48 -4.71 118.68 121.28 1m9l s LEU 72 Ca 0.00 2.17 0.00 0.00 -0.22 0.00 0.00 54.13 56.08 1m9l s LEU 72 Cb 0.00 -4.57 0.00 0.00 0.50 0.00 0.00 46.19 42.12 1m9l s LEU 72 CO 0.00 -1.59 0.00 0.54 -1.32 0.00 0.00 176.35 173.98 1m9l n ARG 73 N -1.97 0.00 -3.13 1.98 5.12 -1.24 -3.84 116.66 113.57 1m9l n ARG 73 Ca 0.12 0.00 -0.45 0.00 -1.93 0.00 0.00 57.85 55.59 1m9l n ARG 73 Cb 0.51 -0.32 -0.04 0.00 -1.16 0.00 0.00 32.46 31.45 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 -2.00 4.95 -0.53 0.55 1.01 0.48 -1.50 121.20 124.16 1m9l s ILE 74 Ca 0.00 -1.30 -0.18 0.00 0.00 0.00 0.00 60.65 59.17 1m9l s ILE 74 Cb 0.00 -4.51 0.08 0.00 0.01 0.00 0.00 42.46 38.04 1m9l s ILE 74 CO 0.00 -1.14 0.57 -0.22 0.00 0.00 0.00 174.94 174.15 1m9l s LEU 75 N 2.26 5.40 -0.91 2.97 0.20 -0.56 -1.18 118.68 126.86 1m9l s LEU 75 Ca 0.14 -1.27 -0.00 0.00 0.69 0.00 0.00 54.13 53.70 1m9l s LEU 75 Cb -0.20 -2.31 0.30 0.00 -0.43 0.00 0.00 46.19 43.54 1m9l s LEU 75 CO 0.02 -0.89 1.32 -1.20 -0.29 0.00 0.00 176.35 175.31 1m9l n SER 76 N 5.86 5.77 -2.29 3.68 7.64 0.33 -0.99 113.62 133.61 1m9l n SER 76 Ca -0.10 -3.50 0.00 0.00 1.01 0.00 0.00 58.87 56.28 1m9l n SER 76 Cb 0.43 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 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 0.80 0.00 0.00 -3.43 7.94 0.16 -1.56 117.00 120.91 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 0.34 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.29 1m9l n LEU 77 CO 0.58 -0.40 0.00 0.61 -1.11 0.00 0.00 177.39 177.07 1m9l n GLY 78 N 4.84 -1.02 3.36 -3.96 0.00 -1.26 -4.52 105.19 102.63 1m9l n GLY 78 Ca 0.00 0.52 -0.37 0.00 0.00 0.00 0.00 46.02 46.17 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 0.03 3.20 0.11 1.61 3.00 0.39 0.23 118.95 127.52 1m9l s ARG 79 Ca 0.00 -0.78 -0.14 0.00 -1.00 0.00 0.00 55.73 53.81 1m9l s ARG 79 Cb 0.00 -3.34 0.02 0.00 0.00 0.00 0.00 34.95 31.63 1m9l s ARG 79 CO 0.00 -0.39 0.33 0.54 0.00 0.00 0.00 175.30 175.78 1m9l s ASN 80 N 1.52 -0.12 -0.23 -2.12 6.03 -0.35 -1.40 114.94 118.26 1m9l s ASN 80 Ca 0.03 -0.42 -0.04 0.00 -1.03 0.00 0.00 52.86 51.40 1m9l s ASN 80 Cb -0.17 0.43 -0.00 0.00 -3.03 0.00 0.00 41.25 38.48 1m9l s ASN 80 CO 0.02 -0.81 -0.03 -0.76 -2.03 0.00 0.00 177.10 173.49 1m9l s LEU 81 N -2.81 3.03 -0.06 3.54 2.01 -0.66 -1.30 118.68 122.43 1m9l s LEU 81 Ca 0.03 -0.50 0.05 0.00 0.01 0.00 0.00 54.13 53.73 1m9l s LEU 81 Cb 0.03 -1.74 -0.01 0.00 0.01 0.00 0.00 46.19 44.48 1m9l s LEU 81 CO -0.12 -0.05 -0.22 -0.63 1.01 0.00 0.00 176.35 176.34 1m9l s ILE 82 N 1.46 1.86 0.01 -0.59 1.01 -0.47 -1.14 121.20 123.33 1m9l s ILE 82 Ca 0.05 -0.95 -0.01 0.00 0.00 0.00 0.00 60.65 59.74 1m9l s ILE 82 Cb -0.15 -1.58 -0.01 0.00 0.01 0.00 0.00 42.46 40.73 1m9l s ILE 82 CO -0.03 0.52 -0.03 0.29 0.00 0.00 0.00 174.94 175.69 1m9l n LYS 83 N 3.11 0.05 0.00 2.79 5.02 -1.25 -4.10 118.16 123.78 1m9l n LYS 83 Ca -0.18 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1m9l n LYS 83 Cb 0.52 -0.59 0.00 0.00 -0.02 0.00 0.00 35.03 34.95 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 3.77 -3.42 1.97 4.76 -1.26 -4.62 118.16 116.10 1m9l n LYS 84 Ca -0.04 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.39 1m9l n LYS 84 Cb 0.38 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.53 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 2.97 -0.90 0.00 -0.18 -1.16 -1.26 -4.76 121.20 115.91 1m9l s ILE 85 Ca 0.00 0.01 0.00 0.00 -0.51 0.00 0.00 60.65 60.15 1m9l s ILE 85 Cb 0.00 -0.93 0.00 0.00 0.61 0.00 0.00 42.46 42.14 1m9l s ILE 85 CO 0.00 -0.01 0.00 1.21 -2.81 0.00 0.00 174.94 173.33 1m9l n GLU 86 N 5.42 0.00 0.11 3.50 2.13 -1.26 -4.94 120.64 125.60 1m9l n GLU 86 Ca -0.06 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.87 1m9l n GLU 86 Cb 0.50 0.00 0.04 0.00 0.27 0.00 0.00 31.44 32.25 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 -0.71 4.31 -1.07 -1.93 -3.36 115.58 112.82 1m9l h ASN 87 Ca 0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 56.30 56.34 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 0.02 0.44 -0.07 0.07 0.00 0.00 177.43 177.88 1m9l h LEU 88 N 0.00 0.84 -1.25 6.14 3.38 -1.93 -1.52 115.31 120.97 1m9l h LEU 88 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1m9l h LEU 88 Cb 0.96 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 1m9l h LEU 88 CO 0.00 0.64 0.47 0.44 0.09 0.00 0.00 178.44 180.09 1m9l h ASP 89 N 0.96 0.85 0.11 -0.43 3.32 -1.90 -0.11 116.42 119.23 1m9l h ASP 89 Ca 0.25 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 1m9l h ASP 89 Cb -0.05 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.29 1m9l h ASP 89 CO -0.05 0.63 -0.05 0.00 -1.72 0.00 0.00 179.24 178.05 1m9l h ALA 90 N 1.52 -0.14 -0.71 3.45 0.00 -1.54 0.97 119.26 122.81 1m9l h ALA 90 Ca 0.27 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1m9l h ALA 90 Cb -0.09 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1m9l h ALA 90 CO -0.06 -0.36 0.38 -0.39 0.00 0.00 0.00 179.25 178.83 1m9l h VAL 91 N -0.59 1.22 -0.05 0.00 -1.51 -1.23 -0.59 116.25 113.49 1m9l h VAL 91 Ca -0.01 -0.55 -0.05 0.00 -1.23 0.00 0.00 66.70 64.85 1m9l h VAL 91 Cb 0.47 0.26 -0.01 0.00 -2.13 0.00 0.00 31.29 29.89 1m9l h VAL 91 CO 0.02 0.24 -0.19 0.00 -1.23 0.00 0.00 177.57 176.42 1m9l h ALA 92 N 1.42 1.60 -0.22 5.19 0.00 -0.89 0.36 119.26 126.71 1m9l h ALA 92 Ca 0.25 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1m9l h ALA 92 Cb 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1m9l h ALA 92 CO -0.04 0.30 -0.50 -0.44 0.00 0.00 0.00 179.25 178.57 1m9l h ASP 93 N 0.08 0.83 0.00 0.00 5.19 0.73 -3.43 116.42 119.81 1m9l h ASP 93 Ca 0.01 -0.56 0.00 0.00 -0.62 0.00 0.00 57.03 55.87 1m9l h ASP 93 Cb 0.38 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.65 1m9l h ASP 93 CO 0.03 1.23 -0.52 1.07 -3.12 0.00 0.00 179.24 177.93 1m9l n THR 94 N -4.13 0.00 -0.54 0.35 5.66 -0.70 -5.09 114.28 109.83 1m9l n THR 94 Ca -0.06 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.66 1m9l n THR 94 Cb 0.59 -0.51 0.26 0.00 -1.55 0.00 0.00 70.33 69.12 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 -2.59 0.51 0.00 1.09 0.20 0.12 -4.93 118.68 113.08 1m9l s LEU 95 Ca 0.00 1.38 0.00 0.00 0.69 0.00 0.00 54.13 56.20 1m9l s LEU 95 Cb 0.00 -3.21 0.00 0.00 -0.43 0.00 0.00 46.19 42.55 1m9l s LEU 95 CO 0.00 -4.38 0.00 1.21 -0.29 0.00 0.00 176.35 172.89 1m9l n GLU 96 N -5.03 0.00 -3.45 1.98 2.13 -1.23 -4.71 120.64 110.33 1m9l n GLU 96 Ca 0.04 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.44 1m9l n GLU 96 Cb 0.55 -0.19 -0.03 0.00 0.27 0.00 0.00 31.44 32.04 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 -1.57 3.80 -1.22 5.31 2.02 -0.56 -1.71 118.70 124.77 1m9l s GLU 97 Ca 0.00 -3.18 -0.17 0.00 0.02 0.00 0.00 54.97 51.64 1m9l s GLU 97 Cb 0.00 -4.31 0.11 0.00 0.10 0.00 0.00 34.13 30.02 1m9l s GLU 97 CO 0.00 -1.25 1.58 -0.51 0.02 0.00 0.00 175.26 175.10 1m9l s LEU 98 N -1.19 4.28 -0.55 1.80 1.43 -0.55 -1.49 118.68 122.42 1m9l s LEU 98 Ca 0.28 -2.52 -0.19 0.00 -1.03 0.00 0.00 54.13 50.67 1m9l s LEU 98 Cb -0.09 -2.51 0.08 0.00 0.03 0.00 0.00 46.19 43.69 1m9l s LEU 98 CO -0.10 -1.05 0.68 0.26 0.23 0.00 0.00 176.35 176.37 1m9l s TRP 99 N 3.32 3.00 -0.35 0.29 0.51 -0.16 -1.12 118.94 124.43 1m9l s TRP 99 Ca 0.48 -0.68 0.15 0.00 -2.12 0.00 0.00 56.10 53.93 1m9l s TRP 99 Cb 0.01 -3.77 0.44 0.00 -0.81 0.00 0.00 33.47 29.34 1m9l s TRP 99 CO 0.03 -1.17 0.96 0.44 -0.51 0.00 0.00 176.95 176.70 1m9l n ILE 100 N 5.63 1.18 0.00 2.03 -5.35 -0.62 -0.66 119.36 121.57 1m9l n ILE 100 Ca -0.07 -3.51 0.00 0.00 -0.27 0.00 0.00 62.75 58.90 1m9l n ILE 100 Cb 0.44 0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.59 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 -0.11 0.00 -4.25 7.28 7.64 -1.22 -3.59 113.62 119.36 1m9l n SER 101 Ca 0.15 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.64 1m9l n SER 101 Cb 0.78 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.87 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 -2.94 3.35 -0.01 1.43 6.14 0.14 -0.86 117.35 124.60 1m9l s TYR 102 Ca 0.00 -1.61 0.02 0.00 0.64 0.00 0.00 57.07 56.11 1m9l s TYR 102 Cb 0.00 -2.91 -0.00 0.00 0.42 0.00 0.00 41.96 39.47 1m9l s TYR 102 CO 0.00 -0.85 -0.06 0.54 0.64 0.00 0.00 175.55 175.82 1m9l s ASN 103 N 2.01 0.76 -0.09 4.32 2.20 -0.31 -1.21 114.94 122.62 1m9l s ASN 103 Ca 0.03 -0.12 0.04 0.00 -0.94 0.00 0.00 52.86 51.88 1m9l s ASN 103 Cb -0.23 -0.11 -0.01 0.00 -2.00 0.00 0.00 41.25 38.91 1m9l s ASN 103 CO 0.01 0.07 -0.23 -1.10 -2.94 0.00 0.00 177.10 172.91 1m9l s GLN 104 N -0.07 2.88 0.19 3.55 -0.21 -0.42 -1.09 119.66 124.49 1m9l s GLN 104 Ca 0.01 -0.86 -0.07 0.00 0.02 0.00 0.00 55.36 54.46 1m9l s GLN 104 Cb -0.03 -2.29 0.03 0.00 1.00 0.00 0.00 33.01 31.72 1m9l s GLN 104 CO -0.00 0.28 0.38 1.51 -2.12 0.00 0.00 175.29 175.33 1m9l n ILE 105 N 3.26 0.00 -1.21 1.08 3.06 -0.73 -1.36 119.36 123.45 1m9l n ILE 105 Ca -0.18 -0.46 0.00 0.00 -2.50 0.00 0.00 62.75 59.60 1m9l n ILE 105 Cb 0.53 0.47 0.00 0.00 0.54 0.00 0.00 39.64 41.17 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 -1.85 0.00 -2.62 1.51 0.00 -1.26 -4.44 120.51 111.85 1m9l n ALA 106 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 1m9l n ALA 106 Cb 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.71 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 7.03 0.17 0.00 1.04 -1.26 -4.96 113.70 115.71 1m9l s SER 107 Ca 0.00 1.34 -0.14 0.00 0.48 0.00 0.00 55.95 57.63 1m9l s SER 107 Cb 0.00 -2.54 0.06 0.00 0.10 0.00 0.00 66.02 63.64 1m9l s SER 107 CO 0.00 -0.74 1.80 -0.07 0.98 0.00 0.00 173.24 175.21 1m9l h LEU 108 N 9.67 0.64 -0.12 2.42 3.38 -1.99 -1.56 115.31 127.75 1m9l h LEU 108 Ca -0.20 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1m9l h LEU 108 Cb 1.07 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1m9l h LEU 108 CO 0.99 0.52 0.06 -1.28 0.09 0.00 0.00 178.44 178.82 1m9l h SER 109 N 0.71 0.17 0.66 -0.43 0.87 -1.99 -1.13 113.55 112.41 1m9l h SER 109 Ca 0.19 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 1m9l h SER 109 Cb 0.00 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1m9l h SER 109 CO -0.03 0.25 -0.35 1.23 -0.53 0.00 0.00 176.83 177.40 1m9l h GLY 110 N 0.07 -0.99 0.61 5.77 0.00 -1.89 -1.77 103.07 104.87 1m9l h GLY 110 Ca 0.04 0.38 0.08 0.00 0.00 0.00 0.00 47.33 47.83 1m9l h GLY 110 CO -0.00 -0.36 0.48 0.16 0.00 0.00 0.00 176.54 176.82 1m9l h ILE 111 N -0.93 0.96 -0.14 2.60 -0.00 -1.33 -0.98 117.51 117.69 1m9l h ILE 111 Ca -0.09 -0.29 0.04 0.00 -0.00 0.00 0.00 64.86 64.52 1m9l h ILE 111 Cb 0.73 0.05 -0.04 0.00 -0.00 0.00 0.00 36.82 37.57 1m9l h ILE 111 CO 0.12 0.15 -0.09 -0.08 -0.00 0.00 0.00 178.15 178.26 1m9l h GLU 112 N 0.83 -0.08 0.44 0.16 4.22 -0.92 -0.77 114.58 118.45 1m9l h GLU 112 Ca 0.38 0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.80 1m9l h GLU 112 Cb 0.28 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1m9l h GLU 112 CO -0.22 -0.06 -0.21 0.87 -2.18 0.00 0.00 179.01 177.22 1m9l h LYS 113 N -0.09 -0.57 -0.73 1.92 1.79 -0.75 -0.39 116.57 117.75 1m9l h LYS 113 Ca 0.08 0.04 0.14 0.00 -2.18 0.00 0.00 60.65 58.73 1m9l h LYS 113 Cb 0.21 0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 30.94 1m9l h LYS 113 CO -0.19 -0.38 0.49 1.37 -1.08 0.00 0.00 179.45 179.66 1m9l h LEU 114 N -0.83 0.38 0.02 2.94 8.10 -1.25 -0.10 115.31 124.58 1m9l h LEU 114 Ca -0.06 0.02 -0.16 0.00 0.11 0.00 0.00 57.88 57.79 1m9l h LEU 114 Cb 0.45 -0.06 0.01 0.00 -0.44 0.00 0.00 40.66 40.63 1m9l h LEU 114 CO 0.10 0.20 -0.65 0.58 -4.11 0.00 0.00 178.44 174.56 1m9l h VAL 115 N 0.41 1.44 0.00 0.15 2.07 -1.20 -3.12 116.25 116.00 1m9l h VAL 115 Ca 0.36 -2.16 0.00 0.00 0.82 0.00 0.00 66.70 65.71 1m9l h VAL 115 Cb 0.81 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 1m9l h VAL 115 CO -0.11 0.63 0.27 -1.13 0.02 0.00 0.00 177.57 177.25 1m9l h ASN 116 N -0.14 0.00 -1.20 0.57 -1.24 0.70 -3.42 115.58 110.85 1m9l h ASN 116 Ca -0.09 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 56.84 1m9l h ASN 116 Cb 1.38 0.00 0.05 0.00 0.73 0.00 0.00 38.32 40.48 1m9l h ASN 116 CO 0.13 0.00 -0.04 -0.11 -1.29 0.00 0.00 177.43 176.12 1m9l n LEU 117 N -2.75 0.00 0.00 0.34 7.94 -0.46 -4.94 117.00 117.14 1m9l n LEU 117 Ca -0.02 -0.18 0.00 0.00 -1.11 0.00 0.00 56.01 54.70 1m9l n LEU 117 Cb 0.32 -0.25 0.00 0.00 0.53 0.00 0.00 43.42 44.02 1m9l n LEU 117 CO 0.13 -1.73 0.00 0.54 -1.11 0.00 0.00 177.39 175.22 1m9l n ARG 118 N -1.98 0.00 -4.97 1.96 3.00 -1.26 -4.66 116.66 108.74 1m9l n ARG 118 Ca 0.03 0.48 -0.30 0.00 -0.01 0.00 0.00 57.85 58.05 1m9l n ARG 118 Cb 0.13 -0.98 -0.17 0.00 0.00 0.00 0.00 32.46 31.44 1m9l n ARG 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1m9l s VAL 119 N -0.99 1.82 -0.09 1.55 0.11 -0.69 -1.87 120.40 120.24 1m9l s VAL 119 Ca 0.00 -0.87 -0.06 0.00 -2.93 0.00 0.00 61.98 58.12 1m9l s VAL 119 Cb 0.00 -1.60 0.04 0.00 -1.53 0.00 0.00 36.38 33.29 1m9l s VAL 119 CO 0.00 0.51 0.23 -1.48 -3.33 0.00 0.00 175.10 171.03 1m9l s LEU 120 N 0.51 0.70 -0.18 2.54 2.34 -0.52 -1.48 118.68 122.59 1m9l s LEU 120 Ca -0.16 0.48 0.01 0.00 0.06 0.00 0.00 54.13 54.52 1m9l s LEU 120 Cb -0.17 0.72 0.02 0.00 -0.56 0.00 0.00 46.19 46.20 1m9l s LEU 120 CO 0.06 -0.13 -0.19 -0.31 -1.06 0.00 0.00 176.35 174.72 1m9l s TYR 121 N 0.84 2.71 -0.43 3.48 2.02 -0.28 -1.58 117.35 124.11 1m9l s TYR 121 Ca -0.06 -1.61 0.02 0.00 -0.37 0.00 0.00 57.07 55.05 1m9l s TYR 121 Cb -0.07 -1.88 0.14 0.00 -0.40 0.00 0.00 41.96 39.75 1m9l s TYR 121 CO -0.05 -0.79 0.25 -1.64 -1.57 0.00 0.00 175.55 171.75 1m9l s MET 122 N 1.31 1.13 0.17 -0.62 -1.94 0.44 -1.59 119.30 118.21 1m9l s MET 122 Ca 0.05 -1.92 0.08 0.00 -1.71 0.00 0.00 55.69 52.19 1m9l s MET 122 Cb -0.13 -2.06 -0.02 0.00 2.01 0.00 0.00 34.83 34.63 1m9l s MET 122 CO -0.12 -1.20 1.39 0.66 -0.01 0.00 0.00 175.02 175.74 1m9l h SER 123 N 6.64 0.00 -3.43 3.03 4.64 -1.47 0.99 113.55 123.95 1m9l h SER 123 Ca 0.04 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.01 1m9l h SER 123 Cb 0.93 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.66 1m9l h SER 123 CO 0.43 0.86 -0.75 0.20 -0.87 0.00 0.00 176.83 176.71 1m9l s ASN 124 N -6.74 0.66 0.32 4.97 0.01 -0.04 -2.96 114.94 111.16 1m9l s ASN 124 Ca 0.00 0.00 -0.19 0.00 -0.71 0.00 0.00 52.86 51.97 1m9l s ASN 124 Cb 0.11 -0.21 0.04 0.00 0.41 0.00 0.00 41.25 41.60 1m9l s ASN 124 CO 0.80 -0.15 0.78 0.54 -1.51 0.00 0.00 177.10 177.56 1m9l s ASN 125 N 1.39 -0.12 -0.27 -1.22 2.20 0.19 -1.16 114.94 115.95 1m9l s ASN 125 Ca -0.05 -0.85 -0.00 0.00 -0.94 0.00 0.00 52.86 51.02 1m9l s ASN 125 Cb -0.13 0.77 0.08 0.00 -2.00 0.00 0.00 41.25 39.97 1m9l s ASN 125 CO -0.03 -1.47 0.04 -0.75 -2.94 0.00 0.00 177.10 171.95 1m9l s LYS 126 N -3.07 0.99 -0.13 3.55 2.20 -0.25 -3.83 119.74 119.21 1m9l s LYS 126 Ca 0.14 -0.98 -0.07 0.00 -0.36 0.00 0.00 55.97 54.70 1m9l s LYS 126 Cb -0.05 -2.27 0.05 0.00 -1.51 0.00 0.00 37.83 34.05 1m9l s LYS 126 CO 0.09 -0.81 0.30 0.42 -0.36 0.00 0.00 175.35 174.99 1m9l s ILE 127 N 1.55 -0.05 0.00 5.43 1.01 -1.26 -1.77 121.20 126.11 1m9l s ILE 127 Ca 0.04 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.82 1m9l s ILE 127 Cb -0.18 -0.46 0.00 0.00 0.01 0.00 0.00 42.46 41.83 1m9l s ILE 127 CO -0.15 0.05 0.05 0.35 0.00 0.00 0.00 174.94 175.25 1m9l n THR 128 N 4.29 0.00 -1.16 2.92 -2.24 -1.26 -1.57 114.28 115.26 1m9l n THR 128 Ca -0.24 -0.23 -0.27 0.00 -2.27 0.00 0.00 64.05 61.04 1m9l n THR 128 Cb 0.54 1.12 -0.09 0.00 -2.10 0.00 0.00 70.33 69.80 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 -0.36 7.19 -0.29 3.42 3.02 -1.26 -4.64 115.26 122.34 1m9l n ASN 129 Ca 0.00 -2.52 0.11 0.00 -0.03 0.00 0.00 54.58 52.14 1m9l n ASN 129 Cb 0.03 -1.48 0.25 0.00 -0.61 0.00 0.00 39.78 37.97 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 4.20 0.24 -0.49 3.10 7.01 -1.93 0.11 115.95 128.20 1m9l h TRP 130 Ca 0.58 0.05 0.05 0.00 2.11 0.00 0.00 58.89 61.68 1m9l h TRP 130 Cb 0.79 0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.82 1m9l h TRP 130 CO 1.84 -0.21 -0.28 0.41 -2.79 0.00 0.00 178.44 177.42 1m9l n GLY 131 N -1.39 -1.24 0.17 2.65 0.00 -1.26 -1.51 105.19 102.60 1m9l n GLY 131 Ca 0.19 0.58 -0.06 0.00 0.00 0.00 0.00 46.02 46.73 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 -4.62 0.35 -0.27 1.61 -0.58 -0.82 -4.73 120.64 111.59 1m9l n GLU 132 Ca 0.01 0.14 0.13 0.00 -0.42 0.00 0.00 57.16 57.02 1m9l n GLU 132 Cb 0.13 -1.09 0.26 0.00 -0.57 0.00 0.00 31.44 30.17 1m9l n GLU 132 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1m9l n ILE 133 N -3.86 -0.32 -0.29 -3.67 5.41 0.32 -1.00 119.36 115.94 1m9l n ILE 133 Ca -0.09 1.68 0.12 0.00 1.00 0.00 0.00 62.75 65.46 1m9l n ILE 133 Cb 0.34 -2.49 0.27 0.00 -0.71 0.00 0.00 39.64 37.05 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 -0.04 0.00 4.38 3.58 -1.43 -1.45 116.42 121.45 1m9l h ASP 134 Ca 0.49 0.20 -0.17 0.00 0.42 0.00 0.00 57.03 57.97 1m9l h ASP 134 Cb 1.07 0.28 -0.02 0.00 1.72 0.00 0.00 39.33 42.37 1m9l h ASP 134 CO -0.71 -0.16 -1.54 0.29 -2.88 0.00 0.00 179.24 174.25 1m9l n LYS 135 N -5.24 0.54 -0.62 0.28 5.02 -0.59 -4.57 118.16 112.98 1m9l n LYS 135 Ca 0.20 0.22 0.47 0.00 -2.02 0.00 0.00 58.31 57.19 1m9l n LYS 135 Cb 0.66 -1.42 0.72 0.00 -0.02 0.00 0.00 35.03 34.97 1m9l n LYS 135 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1m9l n LEU 136 N -4.35 0.00 -1.29 -0.35 7.94 -0.17 -1.42 117.00 117.36 1m9l n LEU 136 Ca -0.28 0.88 -0.02 0.00 -1.11 0.00 0.00 56.01 55.48 1m9l n LEU 136 Cb 0.64 -0.44 0.01 0.00 0.53 0.00 0.00 43.42 44.16 1m9l n LEU 136 CO 0.14 -0.88 0.77 0.00 -1.11 0.00 0.00 177.39 176.31 1m9l n ALA 137 N -2.80 3.35 -3.25 1.96 0.00 -0.55 -4.76 120.51 114.46 1m9l n ALA 137 Ca 0.39 -0.18 -0.22 0.00 0.00 0.00 0.00 53.44 53.43 1m9l n ALA 137 Cb 1.79 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 20.21 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 0.85 -1.03 0.48 0.00 0.00 -0.51 -4.36 120.51 115.95 1m9l n ALA 138 Ca 0.03 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.71 1m9l n ALA 138 Cb 0.54 -2.88 0.46 0.00 0.00 0.00 0.00 19.45 17.57 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 -3.72 0.62 -2.03 0.00 7.94 -0.70 -1.77 117.00 117.34 1m9l n LEU 139 Ca -0.04 0.62 -0.10 0.00 -1.11 0.00 0.00 56.01 55.39 1m9l n LEU 139 Cb 0.56 -0.51 0.28 0.00 0.53 0.00 0.00 43.42 44.28 1m9l n LEU 139 CO 0.48 -0.42 1.09 0.47 -1.11 0.00 0.00 177.39 177.90 1m9l n ASP 140 N -2.15 4.55 0.00 1.96 8.00 -1.26 -4.65 116.55 123.00 1m9l n ASP 140 Ca 0.03 -3.32 0.00 0.00 0.71 0.00 0.00 54.79 52.21 1m9l n ASP 140 Cb 0.28 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 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 -0.40 0.00 -0.34 -1.24 2.85 -1.15 -4.95 118.16 112.93 1m9l n LYS 141 Ca 0.45 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.59 1m9l n LYS 141 Cb 1.44 -0.01 0.01 0.00 -0.65 0.00 0.00 35.03 35.83 1m9l n LYS 141 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1m9l n LEU 142 N -2.41 -1.79 0.00 -5.58 4.77 -0.73 -1.74 117.00 109.51 1m9l n LEU 142 Ca 0.00 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1m9l n LEU 142 Cb 0.00 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1m9l n LEU 142 CO 0.00 -1.88 0.00 -0.62 -1.33 0.00 0.00 177.39 173.56 1m9l n GLU 143 N 0.74 0.00 -4.02 3.23 4.71 -1.26 -2.67 120.64 121.37 1m9l n GLU 143 Ca 0.00 0.04 -0.32 0.00 -0.01 0.00 0.00 57.16 56.87 1m9l n GLU 143 Cb 0.18 -0.43 -0.15 0.00 -1.01 0.00 0.00 31.44 30.02 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 -3.24 4.68 -0.15 1.62 1.11 -0.78 -1.55 116.67 118.35 1m9l s ASP 144 Ca 0.00 -1.83 -0.02 0.00 0.18 0.00 0.00 52.55 50.87 1m9l s ASP 144 Cb 0.00 -1.61 0.05 0.00 1.07 0.00 0.00 42.92 42.43 1m9l s ASP 144 CO 0.00 -0.31 0.02 -1.48 1.18 0.00 0.00 175.17 174.58 1m9l s LEU 145 N 1.00 0.97 -0.29 1.23 2.34 -0.58 -1.44 118.68 121.91 1m9l s LEU 145 Ca 0.03 -0.57 -0.07 0.00 0.06 0.00 0.00 54.13 53.58 1m9l s LEU 145 Cb -0.20 -0.55 0.01 0.00 -0.56 0.00 0.00 46.19 44.89 1m9l s LEU 145 CO -0.06 -0.27 0.08 -0.22 -1.06 0.00 0.00 176.35 174.82 1m9l s LEU 146 N 1.90 3.81 -0.44 1.48 2.96 -0.62 -0.14 118.68 127.63 1m9l s LEU 146 Ca 0.01 -0.67 0.09 0.00 -0.22 0.00 0.00 54.13 53.34 1m9l s LEU 146 Cb -0.15 -1.88 0.39 0.00 0.50 0.00 0.00 46.19 45.04 1m9l s LEU 146 CO -0.07 -0.18 0.94 0.18 -1.32 0.00 0.00 176.35 175.90 1m9l n LEU 147 N 4.87 3.05 -4.83 -0.68 4.32 -1.24 -0.42 117.00 122.06 1m9l n LEU 147 Ca -0.15 -4.97 -0.35 0.00 -0.02 0.00 0.00 56.01 50.52 1m9l n LEU 147 Cb 0.48 -0.02 -0.06 0.00 -1.62 0.00 0.00 43.42 42.20 1m9l n LEU 147 CO 0.31 2.14 0.39 0.00 -1.22 0.00 0.00 177.39 179.01 1m9l s ALA 148 N -3.18 3.41 0.00 -1.18 0.00 0.34 -4.65 121.76 116.50 1m9l s ALA 148 Ca 0.42 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1m9l s ALA 148 Cb 0.37 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.73 1m9l s ALA 148 CO -0.10 0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.42 1m9l n GLY 149 N 0.33 -0.99 0.00 0.00 0.00 -1.16 -2.65 105.19 100.73 1m9l n GLY 149 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1m9l n GLY 149 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1m9l n ASN 150 N -0.36 0.00 -0.32 1.61 0.23 -1.25 0.56 115.26 115.72 1m9l n ASN 150 Ca 0.00 0.00 0.22 0.00 -0.53 0.00 0.00 54.58 54.27 1m9l n ASN 150 Cb 0.00 0.00 0.44 0.00 -2.08 0.00 0.00 39.78 38.14 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 0.20 -0.01 -0.53 0.11 -1.81 -0.78 132.00 129.19 1m9l h PRO 151 Ca 0.00 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.10 1m9l h PRO 151 Cb 0.00 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 1m9l h PRO 151 CO 0.00 0.13 -0.12 1.25 -0.21 0.00 0.00 178.00 179.05 1m9l h LEU 152 N 0.21 -0.38 -0.69 2.35 7.12 -1.57 0.40 115.31 122.75 1m9l h LEU 152 Ca 0.70 0.04 0.07 0.00 0.13 0.00 0.00 57.88 58.82 1m9l h LEU 152 Cb 1.62 0.15 -0.06 0.00 -0.53 0.00 0.00 40.66 41.84 1m9l h LEU 152 CO -0.68 -0.11 0.38 0.22 -0.13 0.00 0.00 178.44 178.12 1m9l h TYR 153 N -0.14 0.70 0.00 1.25 5.03 -1.64 -0.06 116.97 122.10 1m9l h TYR 153 Ca 0.00 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.31 1m9l h TYR 153 Cb 0.16 -0.21 -0.00 0.00 1.55 0.00 0.00 36.73 38.22 1m9l h TYR 153 CO -0.43 0.32 -0.15 -0.91 -1.32 0.00 0.00 178.16 175.67 1m9l h ASN 154 N 0.69 0.00 0.04 -2.11 4.21 -1.02 -1.48 115.58 115.90 1m9l h ASN 154 Ca 0.31 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.69 1m9l h ASN 154 Cb 0.22 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.43 1m9l h ASN 154 CO -0.20 0.15 -0.56 0.44 -1.29 0.00 0.00 177.43 175.98 1m9l h ASP 155 N 0.00 0.43 0.14 5.81 5.19 0.16 -3.24 116.42 124.92 1m9l h ASP 155 Ca -0.00 -0.82 0.01 0.00 -0.62 0.00 0.00 57.03 55.60 1m9l h ASP 155 Cb 0.44 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.79 1m9l h ASP 155 CO 0.02 1.20 -0.25 0.22 -3.12 0.00 0.00 179.24 177.31 1m9l h TYR 156 N -0.30 -0.67 0.00 4.55 3.20 -1.10 -3.47 116.97 119.18 1m9l h TYR 156 Ca -0.08 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1m9l h TYR 156 Cb 1.32 0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.87 1m9l h TYR 156 CO 0.17 -0.36 0.00 1.63 -1.64 0.00 0.00 178.16 177.97 1m9l n LYS 157 N -5.37 0.00 -0.13 1.82 5.02 -0.61 -4.67 118.16 114.23 1m9l n LYS 157 Ca -0.07 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.32 1m9l n LYS 157 Cb 0.28 0.00 0.15 0.00 -0.02 0.00 0.00 35.03 35.44 1m9l n LYS 157 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1m9l n GLU 158 N 0.00 -0.00 -0.64 1.97 0.00 -0.91 -1.33 120.64 119.73 1m9l n GLU 158 Ca 0.00 0.20 -0.00 0.00 0.00 0.00 0.00 57.16 57.36 1m9l n GLU 158 Cb 0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 31.44 30.99 1m9l n GLU 158 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1m9l n ASN 159 N -2.38 0.02 0.00 -1.84 5.15 -1.26 -4.63 115.26 110.32 1m9l n ASN 159 Ca 0.08 -1.64 0.00 0.00 -0.60 0.00 0.00 54.58 52.42 1m9l n ASN 159 Cb 0.36 -0.10 0.00 0.00 -0.53 0.00 0.00 39.78 39.51 1m9l n ASN 159 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1m9l n ASN 160 N 0.05 2.66 -0.10 1.20 4.05 -0.44 -4.67 115.26 118.01 1m9l n ASN 160 Ca -0.02 0.00 -0.12 0.00 0.45 0.00 0.00 54.58 54.90 1m9l n ASN 160 Cb 0.67 0.00 -0.12 0.00 1.23 0.00 0.00 39.78 41.56 1m9l n ASN 160 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1m9l n ALA 161 N -2.21 1.55 -0.05 5.20 0.00 -0.53 -4.08 120.51 120.39 1m9l n ALA 161 Ca 0.00 -1.05 -0.16 0.00 0.00 0.00 0.00 53.44 52.23 1m9l n ALA 161 Cb 0.34 -0.07 -0.06 0.00 0.00 0.00 0.00 19.45 19.66 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 1.28 -0.69 0.00 2.02 -1.80 0.12 112.91 113.85 1m9l h THR 162 Ca -0.48 -1.84 -0.02 0.00 0.77 0.00 0.00 66.41 64.84 1m9l h THR 162 Cb 1.93 1.86 -0.03 0.00 -1.74 0.00 0.00 68.15 70.16 1m9l h THR 162 CO -0.02 0.59 0.35 -1.28 0.37 0.00 0.00 175.52 175.52 1m9l h SER 163 N 0.54 0.88 -0.40 4.18 0.87 -1.82 -1.11 113.55 116.69 1m9l h SER 163 Ca -0.02 -0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.39 1m9l h SER 163 Cb 1.27 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.98 1m9l h SER 163 CO 0.14 0.73 0.03 -0.08 -0.53 0.00 0.00 176.83 177.12 1m9l h GLU 164 N 0.97 0.77 0.26 2.24 4.22 -1.64 -1.02 114.58 120.39 1m9l h GLU 164 Ca 0.24 -0.19 -0.01 0.00 0.08 0.00 0.00 59.36 59.48 1m9l h GLU 164 Cb 0.08 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1m9l h GLU 164 CO -0.03 0.76 -0.13 1.88 -2.18 0.00 0.00 179.01 179.31 1m9l h TYR 165 N 0.73 -0.33 -0.87 0.92 0.05 0.44 0.08 116.97 117.99 1m9l h TYR 165 Ca 0.15 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.99 1m9l h TYR 165 Cb 0.40 0.11 -0.06 0.00 1.01 0.00 0.00 36.73 38.19 1m9l h TYR 165 CO 0.02 -0.16 0.54 -0.09 -1.05 0.00 0.00 178.16 177.42 1m9l h ARG 166 N -0.42 0.95 -0.58 4.88 1.12 -1.02 0.12 114.38 119.43 1m9l h ARG 166 Ca -0.04 -0.06 0.02 0.00 -1.11 0.00 0.00 59.98 58.80 1m9l h ARG 166 Cb 0.32 -0.21 -0.04 0.00 -0.01 0.00 0.00 29.97 30.03 1m9l h ARG 166 CO 0.06 0.63 0.36 0.82 -3.11 0.00 0.00 179.97 178.72 1m9l h ILE 167 N 0.98 1.08 0.00 1.20 2.04 -0.95 -0.70 117.51 121.16 1m9l h ILE 167 Ca 0.38 -0.24 -0.05 0.00 1.00 0.00 0.00 64.86 65.95 1m9l h ILE 167 Cb 0.19 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1m9l h ILE 167 CO -0.18 0.13 -0.26 -0.33 0.00 0.00 0.00 178.15 177.51 1m9l h GLU 168 N 0.71 0.00 0.00 2.37 5.08 0.28 0.04 114.58 123.06 1m9l h GLU 168 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1m9l h GLU 168 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1m9l h GLU 168 CO -0.09 0.26 0.00 0.28 -1.00 0.00 0.00 179.01 178.46 1m9l n VAL 169 N -4.05 0.00 0.01 3.13 0.31 0.29 -0.42 118.33 117.59 1m9l n VAL 169 Ca -0.02 0.90 0.22 0.00 -0.01 0.00 0.00 64.34 65.43 1m9l n VAL 169 Cb 0.33 -1.73 0.73 0.00 -0.91 0.00 0.00 33.84 32.26 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 0.46 0.00 2.52 3.04 -1.25 -0.64 116.25 120.38 1m9l h VAL 170 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1m9l h VAL 170 Cb 0.00 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 29.90 1m9l h VAL 170 CO 0.00 0.00 -0.21 0.50 -1.01 0.00 0.00 177.57 176.85 1m9l h LYS 171 N 0.00 0.00 0.00 4.17 3.64 -1.06 -3.46 116.57 119.86 1m9l h LYS 171 Ca 0.26 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.34 1m9l h LYS 171 Cb 1.26 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.03 1m9l h LYS 171 CO -0.00 0.00 -2.13 -2.13 -2.27 0.00 0.00 179.45 172.92 1m9l n ARG 172 N -4.21 1.17 -3.86 1.90 0.63 0.44 -4.99 116.66 107.74 1m9l n ARG 172 Ca -0.03 0.02 -0.36 0.00 -0.92 0.00 0.00 57.85 56.56 1m9l n ARG 172 Cb 0.11 -1.42 -0.08 0.00 0.45 0.00 0.00 32.46 31.53 1m9l n ARG 172 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1m9l s LEU 173 N -5.42 4.19 0.18 6.15 1.43 -0.24 -4.99 118.68 119.98 1m9l s LEU 173 Ca -0.12 0.30 0.23 0.00 -1.03 0.00 0.00 54.13 53.50 1m9l s LEU 173 Cb 0.05 -2.05 0.14 0.00 0.03 0.00 0.00 46.19 44.36 1m9l s LEU 173 CO 0.62 0.28 1.17 1.55 0.23 0.00 0.00 176.35 180.20 1m9l h PRO 174 N 5.95 0.00 0.00 1.29 0.13 -1.93 -3.43 132.00 134.02 1m9l h PRO 174 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1m9l h PRO 174 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1m9l h PRO 174 CO 0.67 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.53 1m9l n ASN 175 N -2.47 0.00 0.00 1.44 3.02 -1.26 -4.95 115.26 111.04 1m9l n ASN 175 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1m9l n ASN 175 Cb 0.51 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 1m9l n ASN 175 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1m9l n LEU 176 N 0.00 0.00 -0.13 3.41 4.32 -0.71 -4.96 117.00 118.93 1m9l n LEU 176 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 56.01 55.72 1m9l n LEU 176 Cb 0.00 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 41.71 1m9l n LEU 176 CO 0.00 0.00 -1.32 0.29 -1.22 0.00 0.00 177.39 175.14 1m9l n LYS 177 N 0.00 0.58 -3.58 3.23 4.01 -0.89 -4.76 118.16 116.75 1m9l n LYS 177 Ca 0.00 0.27 -0.27 0.00 -0.51 0.00 0.00 58.31 57.79 1m9l n LYS 177 Cb 0.00 -1.49 -0.09 0.00 -0.51 0.00 0.00 35.03 32.93 1m9l n LYS 177 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1m9l n LYS 178 N -4.29 2.21 -1.97 1.97 4.76 -0.59 -4.95 118.16 115.30 1m9l n LYS 178 Ca -0.49 -4.55 -0.40 0.00 -2.87 0.00 0.00 58.31 50.00 1m9l n LYS 178 Cb 0.83 -2.23 -0.02 0.00 -1.84 0.00 0.00 35.03 31.77 1m9l n LYS 178 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1m9l n LEU 179 N 1.28 5.07 -3.32 -0.35 7.94 -1.26 -1.53 117.00 124.83 1m9l n LEU 179 Ca 0.26 -3.68 -0.14 0.00 -1.11 0.00 0.00 56.01 51.34 1m9l n LEU 179 Cb 0.39 -1.61 0.03 0.00 0.53 0.00 0.00 43.42 42.77 1m9l n LEU 179 CO 0.35 0.02 0.10 -0.67 -1.11 0.00 0.00 177.39 176.07 1m9l n ASP 180 N 8.55 -6.63 0.20 1.96 -0.08 0.80 -4.34 116.55 117.01 1m9l n ASP 180 Ca 0.49 -0.57 0.14 0.00 -1.51 0.00 0.00 54.79 53.34 1m9l n ASP 180 Cb 0.43 -4.55 0.70 0.00 2.34 0.00 0.00 41.12 40.04 1m9l n ASP 180 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1m9l h GLY 181 N -0.64 0.00 -0.32 0.27 0.00 -1.78 -3.35 103.07 97.25 1m9l h GLY 181 Ca -0.41 0.00 0.26 0.00 0.00 0.00 0.00 47.33 47.18 1m9l h GLY 181 CO 0.39 0.00 0.47 1.98 0.00 0.00 0.00 176.54 179.38 1m9l h MET 182 N 0.00 0.38 0.00 4.80 -1.53 -1.94 -1.59 114.93 115.06 1m9l h MET 182 Ca 0.00 -0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.24 1m9l h MET 182 Cb 0.07 -0.09 0.00 0.00 -0.55 0.00 0.00 31.60 31.03 1m9l h MET 182 CO 0.00 0.25 0.00 -2.30 0.14 0.00 0.00 176.91 175.01 1m9l n PRO 183 N -5.03 0.00 -0.33 0.39 -0.02 -1.26 -4.23 135.00 124.52 1m9l n PRO 183 Ca 0.26 0.40 -0.09 0.00 -2.02 0.00 0.00 63.50 62.06 1m9l n PRO 183 Cb 0.78 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.68 1m9l n PRO 183 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1m9l n VAL 184 N -1.40 -0.53 -2.07 -1.45 0.24 -0.60 -4.75 118.33 107.77 1m9l n VAL 184 Ca 0.00 1.96 0.00 0.00 -2.04 0.00 0.00 64.34 64.26 1m9l n VAL 184 Cb 0.00 -2.43 0.00 0.00 -1.47 0.00 0.00 33.84 29.94 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 -4.90 -0.72 0.00 -1.34 8.00 -1.26 -1.49 116.55 114.83 1m9l n ASP 185 Ca 0.02 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.88 1m9l n ASP 185 Cb 0.20 -0.85 0.00 0.00 -0.02 0.00 0.00 41.12 40.46 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 -2.05 0.00 0.27 2.53 3.14 -1.26 -4.91 118.33 116.05 1m9l n VAL 186 Ca 0.00 0.00 0.14 0.00 -2.96 0.00 0.00 64.34 61.52 1m9l n VAL 186 Cb 0.36 0.00 0.43 0.00 -1.06 0.00 0.00 33.84 33.57 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 0.65 6.55 3.58 -1.60 -2.55 116.42 123.05 1m9l h ASP 187 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 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 0.00 -0.04 -0.33 -2.88 0.00 0.00 179.24 175.99 1m9l h GLU 188 N 0.00 0.00 -0.04 0.28 4.39 -1.91 0.41 114.58 117.71 1m9l h GLU 188 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1m9l h GLU 188 Cb 0.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 1m9l h GLU 188 CO 0.00 0.04 0.00 -2.13 -1.16 0.00 0.00 179.01 175.76 1m9l n ARG 189 N -3.20 1.86 0.02 2.33 3.00 -0.96 -3.22 116.66 116.48 1m9l n ARG 189 Ca -0.01 -1.26 -0.00 0.00 -0.00 0.00 0.00 57.85 56.58 1m9l n ARG 189 Cb 0.25 -1.47 -0.00 0.00 0.00 0.00 0.00 32.46 31.24 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 0.52 0.00 0.02 -0.14 2.13 -0.28 -4.45 120.64 118.45 1m9l n GLU 190 Ca 0.18 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.87 1m9l n GLU 190 Cb 0.42 -0.18 -0.09 0.00 0.27 0.00 0.00 31.44 31.86 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 -0.06 0.00 5.31 4.15 -0.50 0.37 115.11 124.38 1m9l h GLN 191 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1m9l h GLN 191 Cb 0.00 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.71 1m9l h GLN 191 CO 0.00 0.30 0.00 0.00 -1.93 0.00 0.00 178.83 177.20 1m9l h ALA 192 N 0.49 1.00 0.12 3.38 0.00 -1.56 -0.53 119.26 122.16 1m9l h ALA 192 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 1m9l h ALA 192 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1m9l h ALA 192 CO 0.01 0.00 -1.76 -0.97 0.00 0.00 0.00 179.25 176.53 1m9l h ASN 193 N 0.00 0.41 -0.11 0.00 -1.24 -1.48 -1.05 115.58 112.10 1m9l h ASN 193 Ca 0.00 -0.71 -0.18 0.00 0.71 0.00 0.00 56.30 56.12 1m9l h ASN 193 Cb 0.30 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.22 1m9l h ASN 193 CO 0.00 1.61 -0.60 0.58 -1.29 0.00 0.00 177.43 177.73 1m9l h VAL 194 N 0.07 1.30 -0.07 2.57 2.07 -0.68 -1.26 116.25 120.25 1m9l h VAL 194 Ca -0.33 -1.83 -0.05 0.00 0.82 0.00 0.00 66.70 65.31 1m9l h VAL 194 Cb 2.04 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 33.59 1m9l h VAL 194 CO 0.13 0.58 -0.16 0.00 0.02 0.00 0.00 177.57 178.14 1m9l h ALA 195 N 0.78 0.11 -0.46 1.67 0.00 -1.21 -1.81 119.26 118.34 1m9l h ALA 195 Ca -0.00 -0.36 0.09 0.00 0.00 0.00 0.00 54.91 54.64 1m9l h ALA 195 Cb 1.19 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 1m9l h ALA 195 CO 0.12 0.03 -0.09 -0.09 0.00 0.00 0.00 179.25 179.22 1m9l h ARG 196 N -0.26 0.02 0.00 0.00 9.65 -1.18 -3.43 114.38 119.18 1m9l h ARG 196 Ca -0.00 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1m9l h ARG 196 Cb 0.76 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.34 1m9l h ARG 196 CO 0.04 0.01 0.00 0.41 2.80 0.00 0.00 179.97 183.23 1m9l n GLY 197 N -1.33 -1.85 0.00 2.80 0.00 -0.50 -5.06 105.19 99.24 1m9l n GLY 197 Ca 0.04 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.90 1m9l n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93