#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 2.14 -3.00 3.04 0.00 -1.26 -4.05 120.51 117.38 1m9l n ALA 2 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1m9l n ALA 2 Cb 0.00 0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.79 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 -3.15 0.00 -3.18 0.00 4.81 -1.26 -4.59 118.16 110.79 1m9l n LYS 3 Ca -0.17 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.29 1m9l n LYS 3 Cb 0.65 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.69 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 -1.49 -2.41 0.00 3.14 0.00 -1.26 -4.90 121.76 114.84 1m9l s ALA 4 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1m9l s ALA 4 Cb 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.47 1m9l s ALA 4 CO 0.00 -2.05 0.00 0.25 0.00 0.00 0.00 175.76 173.96 1m9l n THR 5 N 4.86 0.00 -3.77 0.00 -2.24 -1.26 -4.49 114.28 107.38 1m9l n THR 5 Ca 0.08 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.66 1m9l n THR 5 Cb 0.56 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.77 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 1.81 4.84 0.09 4.28 2.01 -1.26 -1.79 115.64 125.62 1m9l s THR 6 Ca 0.00 -0.97 -0.35 0.00 0.31 0.00 0.00 61.69 60.68 1m9l s THR 6 Cb 0.00 -3.70 -0.16 0.00 0.01 0.00 0.00 72.50 68.65 1m9l s THR 6 CO 0.00 -0.28 1.57 -0.29 -0.69 0.00 0.00 174.62 174.94 1m9l h ILE 7 N 1.06 0.07 0.25 1.82 -0.00 -1.81 0.25 117.51 119.13 1m9l h ILE 7 Ca -0.50 0.00 0.01 0.00 -0.00 0.00 0.00 64.86 64.37 1m9l h ILE 7 Cb 1.24 0.07 -0.02 0.00 -0.00 0.00 0.00 36.82 38.10 1m9l h ILE 7 CO 0.58 0.00 -0.28 0.11 -0.00 0.00 0.00 178.15 178.56 1m9l h LYS 8 N -0.92 -0.55 0.63 2.19 1.57 -1.97 -0.57 116.57 116.96 1m9l h LYS 8 Ca -0.04 0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1m9l h LYS 8 Cb 0.82 0.13 0.01 0.00 0.08 0.00 0.00 32.23 33.26 1m9l h LYS 8 CO -0.09 -0.37 -0.30 -0.44 -0.57 0.00 0.00 179.45 177.68 1m9l h ASP 9 N -0.57 -0.72 -0.52 0.86 5.19 -1.97 -1.62 116.42 117.07 1m9l h ASP 9 Ca -0.00 0.02 0.11 0.00 -0.62 0.00 0.00 57.03 56.54 1m9l h ASP 9 Cb 0.54 0.19 -0.09 0.00 0.18 0.00 0.00 39.33 40.14 1m9l h ASP 9 CO -0.08 -0.51 -0.06 0.00 -3.12 0.00 0.00 179.24 175.47 1m9l h ALA 10 N -1.61 0.44 -0.55 3.45 0.00 -0.53 0.12 119.26 120.58 1m9l h ALA 10 Ca -0.09 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1m9l h ALA 10 Cb 0.65 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1m9l h ALA 10 CO 0.14 -0.41 0.12 0.82 0.00 0.00 0.00 179.25 179.92 1m9l h ILE 11 N 0.06 1.25 -0.91 0.00 2.04 -1.12 0.94 117.51 119.78 1m9l h ILE 11 Ca 0.26 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 65.19 1m9l h ILE 11 Cb 0.41 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1m9l h ILE 11 CO -0.49 0.33 0.50 -0.09 0.00 0.00 0.00 178.15 178.40 1m9l h ARG 12 N 0.79 1.27 -0.18 2.37 2.43 -0.68 -1.33 114.38 119.04 1m9l h ARG 12 Ca 0.17 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1m9l h ARG 12 Cb 0.37 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1m9l h ARG 12 CO 0.01 0.93 -0.10 0.82 -1.51 0.00 0.00 179.97 180.11 1m9l h ILE 13 N 1.27 1.17 0.01 1.20 2.04 -0.04 0.87 117.51 124.03 1m9l h ILE 13 Ca 0.32 -0.75 -0.21 0.00 1.00 0.00 0.00 64.86 65.22 1m9l h ILE 13 Cb 0.03 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1m9l h ILE 13 CO -0.05 0.24 -0.93 -0.26 0.00 0.00 0.00 178.15 177.15 1m9l h PHE 14 N 0.27 0.37 0.00 1.37 0.04 -0.19 0.13 116.94 118.93 1m9l h PHE 14 Ca 0.06 -0.21 -0.06 0.00 2.80 0.00 0.00 57.97 60.56 1m9l h PHE 14 Cb 0.35 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 1m9l h PHE 14 CO 0.01 1.04 -0.29 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 4.57 -0.47 0.38 114.58 120.69 1m9l h GLU 15 Ca -0.06 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.05 1m9l h GLU 15 Cb 1.57 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.15 1m9l h GLU 15 CO 0.15 0.29 -0.89 0.39 -1.18 0.00 0.00 179.01 177.77 1m9l n GLU 16 N -3.58 0.50 0.01 1.92 1.02 0.23 -3.89 120.64 116.84 1m9l n GLU 16 Ca -0.01 0.45 -0.01 0.00 -0.02 0.00 0.00 57.16 57.58 1m9l n GLU 16 Cb 0.42 -1.63 -0.00 0.00 -0.02 0.00 0.00 31.44 30.21 1m9l n GLU 16 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1m9l h ARG 17 N -1.00 -0.04 -0.57 3.49 2.43 -0.88 -3.33 114.38 114.49 1m9l h ARG 17 Ca -0.11 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.10 1m9l h ARG 17 Cb 0.83 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.35 1m9l h ARG 17 CO -0.07 -0.03 0.38 -0.22 -1.51 0.00 0.00 179.97 178.52 1m9l h LYS 18 N -0.16 0.60 -3.69 0.20 3.11 -1.63 -3.47 116.57 111.53 1m9l h LYS 18 Ca -0.00 -0.04 -0.08 0.00 -2.81 0.00 0.00 60.65 57.72 1m9l h LYS 18 Cb 0.03 -0.14 0.06 0.00 -1.00 0.00 0.00 32.23 31.18 1m9l h LYS 18 CO 0.01 0.40 -0.25 0.45 -2.81 0.00 0.00 179.45 177.24 1m9l n SER 19 N -4.47 -3.29 -4.03 4.20 2.88 0.12 -4.98 113.62 104.05 1m9l n SER 19 Ca 0.07 -0.21 -0.13 0.00 -1.33 0.00 0.00 58.87 57.27 1m9l n SER 19 Cb 0.17 -1.91 -0.09 0.00 -0.75 0.00 0.00 64.21 61.63 1m9l n SER 19 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1m9l s VAL 20 N -3.12 0.00 -0.74 2.46 -7.23 -0.69 -4.97 120.40 106.12 1m9l s VAL 20 Ca 0.13 -1.95 -0.26 0.00 -1.81 0.00 0.00 61.98 58.08 1m9l s VAL 20 Cb -0.02 -2.48 0.04 0.00 0.56 0.00 0.00 36.38 34.47 1m9l s VAL 20 CO 0.22 0.00 1.25 -0.69 -0.31 0.00 0.00 175.10 175.57 1m9l s VAL 21 N -4.01 3.80 0.00 1.32 1.01 -1.26 -4.13 120.40 117.13 1m9l s VAL 21 Ca 0.38 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1m9l s VAL 21 Cb 0.06 -4.90 0.00 0.00 0.00 0.00 0.00 36.38 31.54 1m9l s VAL 21 CO 0.15 -1.82 0.00 0.00 0.00 0.00 0.00 175.10 173.43 1m9l n ALA 22 N 9.16 0.32 -4.06 5.51 0.00 -1.26 -3.75 120.51 126.42 1m9l n ALA 22 Ca 0.04 -0.19 -0.40 0.00 0.00 0.00 0.00 53.44 52.88 1m9l n ALA 22 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1m9l n ALA 22 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1m9l n THR 23 N -2.37 -2.08 -2.35 0.00 -2.24 -1.26 -1.28 114.28 102.70 1m9l n THR 23 Ca 0.00 -0.51 -0.09 0.00 -2.27 0.00 0.00 64.05 61.18 1m9l n THR 23 Cb 0.00 -1.79 -0.02 0.00 -2.10 0.00 0.00 70.33 66.43 1m9l n THR 23 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1m9l n GLU 24 N -4.55 -1.83 -1.86 -0.78 2.13 -1.26 -4.85 120.64 107.64 1m9l n GLU 24 Ca -0.13 0.03 -0.30 0.00 0.66 0.00 0.00 57.16 57.42 1m9l n GLU 24 Cb 0.51 -2.99 0.05 0.00 0.27 0.00 0.00 31.44 29.28 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 -1.68 2.86 0.02 4.31 0.00 -0.41 -4.68 121.76 122.18 1m9l s ALA 25 Ca 0.18 -0.32 -0.19 0.00 0.00 0.00 0.00 51.96 51.63 1m9l s ALA 25 Cb -0.10 -3.04 -0.21 0.00 0.00 0.00 0.00 23.12 19.78 1m9l s ALA 25 CO 0.22 -1.15 1.17 0.93 0.00 0.00 0.00 175.76 176.92 1m9l h GLU 26 N -0.67 0.46 -5.82 0.00 3.07 -1.88 -3.40 114.58 106.34 1m9l h GLU 26 Ca -0.45 -0.42 -0.61 0.00 -0.50 0.00 0.00 59.36 57.38 1m9l h GLU 26 Cb 1.25 0.10 -0.12 0.00 -0.84 0.00 0.00 28.75 29.14 1m9l h GLU 26 CO 0.63 1.06 1.15 0.15 -1.40 0.00 0.00 179.01 180.61 1m9l s LYS 27 N -3.47 3.46 -0.45 2.33 1.02 -1.26 0.29 119.74 121.66 1m9l s LYS 27 Ca -0.13 -1.07 -0.08 0.00 0.02 0.00 0.00 55.97 54.71 1m9l s LYS 27 Cb 0.04 -4.91 0.11 0.00 -0.52 0.00 0.00 37.83 32.56 1m9l s LYS 27 CO 0.82 -2.05 0.31 0.08 -0.92 0.00 0.00 175.35 173.59 1m9l s VAL 28 N 4.48 4.03 -1.08 3.17 1.01 -0.62 -4.81 120.40 126.59 1m9l s VAL 28 Ca 0.38 -1.80 -0.18 0.00 0.00 0.00 0.00 61.98 60.38 1m9l s VAL 28 Cb -0.05 -3.66 0.12 0.00 0.00 0.00 0.00 36.38 32.79 1m9l s VAL 28 CO -0.03 -0.73 1.37 -1.61 0.00 0.00 0.00 175.10 174.10 1m9l s GLU 29 N 1.33 3.78 0.00 2.72 0.41 -1.25 -1.56 118.70 124.14 1m9l s GLU 29 Ca 0.06 -1.88 0.00 0.00 -0.41 0.00 0.00 54.97 52.74 1m9l s GLU 29 Cb -0.25 -5.14 0.00 0.00 -1.78 0.00 0.00 34.13 26.96 1m9l s GLU 29 CO -0.01 -1.94 0.00 1.28 -0.49 0.00 0.00 175.26 174.10 1m9l n LEU 30 N 7.08 0.00 0.00 1.80 4.77 -0.40 -4.43 117.00 125.82 1m9l n LEU 30 Ca 0.33 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1m9l n LEU 30 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1m9l n LEU 30 CO 0.61 -0.12 0.00 1.57 -1.33 0.00 0.00 177.39 178.12 1m9l n HIS 31 N -0.24 0.00 -3.47 -1.77 -0.00 -1.26 -4.63 115.22 103.86 1m9l n HIS 31 Ca 0.00 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.07 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 -0.44 -0.56 -0.01 1.57 0.00 -1.26 -1.29 107.32 105.34 1m9l s GLY 32 Ca 0.00 0.47 -0.14 0.00 0.00 0.00 0.00 44.72 45.06 1m9l s GLY 32 CO 0.00 0.15 0.28 -0.29 0.00 0.00 0.00 173.10 173.25 1m9l s MET 33 N -3.70 0.65 -0.03 2.90 0.00 -0.57 0.36 119.30 118.91 1m9l s MET 33 Ca 0.02 -0.25 -0.30 0.00 0.00 0.00 0.00 55.69 55.17 1m9l s MET 33 Cb -0.01 0.29 -0.03 0.00 0.00 0.00 0.00 34.83 35.08 1m9l s MET 33 CO -0.11 -0.18 1.00 0.96 0.00 0.00 0.00 175.02 176.69 1m9l s ILE 34 N -1.43 4.80 0.27 10.11 -4.36 -1.26 -3.45 121.20 125.88 1m9l s ILE 34 Ca -0.13 2.03 -0.06 0.00 -0.26 0.00 0.00 60.65 62.22 1m9l s ILE 34 Cb -0.05 -4.30 0.38 0.00 1.25 0.00 0.00 42.46 39.74 1m9l s ILE 34 CO 0.03 0.11 1.59 -0.65 0.24 0.00 0.00 174.94 176.25 1m9l h PRO 35 N 6.91 0.02 0.00 0.37 0.11 -1.95 -2.01 132.00 135.44 1m9l h PRO 35 Ca -0.38 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1m9l h PRO 35 Cb 1.20 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1m9l h PRO 35 CO 0.79 0.01 0.00 -2.30 -0.21 0.00 0.00 178.00 176.29 1m9l n PRO 36 N -5.52 0.19 -1.74 1.05 -0.02 -1.26 -0.61 135.00 127.09 1m9l n PRO 36 Ca 0.16 0.00 -0.68 0.00 -2.02 0.00 0.00 63.50 60.97 1m9l n PRO 36 Cb 0.54 -1.06 -0.10 0.00 -0.02 0.00 0.00 33.50 32.86 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 -0.56 0.00 0.00 4.25 3.06 -0.76 -4.73 119.36 120.62 1m9l n ILE 37 Ca 0.01 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.26 1m9l n ILE 37 Cb 0.00 -0.50 0.00 0.00 0.54 0.00 0.00 39.64 39.69 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 3.98 0.00 -4.09 9.51 4.07 -1.25 -1.76 120.64 131.09 1m9l n GLU 38 Ca 0.31 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 57.06 1m9l n GLU 38 Cb -0.06 0.00 -0.11 0.00 -0.06 0.00 0.00 31.44 31.21 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 0.00 3.76 -1.01 5.31 1.02 -1.26 -1.54 119.74 126.02 1m9l s LYS 39 Ca 0.00 -0.45 -0.02 0.00 0.02 0.00 0.00 55.97 55.52 1m9l s LYS 39 Cb 0.00 -3.12 0.31 0.00 -0.52 0.00 0.00 37.83 34.50 1m9l s LYS 39 CO 0.00 0.13 1.54 -0.12 -0.92 0.00 0.00 175.35 175.97 1m9l n MET 40 N 3.93 4.65 0.24 1.68 1.56 -1.26 -3.99 117.12 123.93 1m9l n MET 40 Ca -0.17 -4.62 0.12 0.00 -0.27 0.00 0.00 57.70 52.76 1m9l n MET 40 Cb 0.52 -2.47 0.73 0.00 2.15 0.00 0.00 33.22 34.16 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 4.81 0.00 0.19 6.12 3.58 -1.72 0.36 116.42 129.77 1m9l h ASP 41 Ca 0.32 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.78 1m9l h ASP 41 Cb 0.51 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.53 1m9l h ASP 41 CO 1.23 0.00 -0.31 0.00 -2.88 0.00 0.00 179.24 177.27 1m9l h ALA 42 N 1.95 -0.58 -0.44 -0.78 0.00 -1.70 -1.56 119.26 116.15 1m9l h ALA 42 Ca 0.03 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.96 1m9l h ALA 42 Cb 0.14 0.49 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 1m9l h ALA 42 CO -0.00 -0.88 -0.08 1.15 0.00 0.00 0.00 179.25 179.45 1m9l h THR 43 N -0.58 0.59 -0.78 0.00 2.02 -1.30 0.43 112.91 113.29 1m9l h THR 43 Ca 0.01 -0.01 0.18 0.00 0.77 0.00 0.00 66.41 67.37 1m9l h THR 43 Cb 0.58 0.56 -0.12 0.00 -1.74 0.00 0.00 68.15 67.42 1m9l h THR 43 CO -0.14 0.01 0.14 -0.07 0.37 0.00 0.00 175.52 175.83 1m9l h LEU 44 N 0.03 -0.09 0.03 2.58 4.07 -0.43 0.46 115.31 121.96 1m9l h LEU 44 Ca 0.21 0.17 -0.00 0.00 0.08 0.00 0.00 57.88 58.35 1m9l h LEU 44 Cb 0.32 0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.32 1m9l h LEU 44 CO -0.42 -0.11 -0.01 0.28 -1.08 0.00 0.00 178.44 177.09 1m9l h SER 45 N 0.20 -0.03 0.00 -0.43 0.02 -0.37 -3.34 113.55 109.60 1m9l h SER 45 Ca 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1m9l h SER 45 Cb 0.83 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1m9l h SER 45 CO -0.60 0.14 0.21 1.07 -1.14 0.00 0.00 176.83 176.51 1m9l n THR 46 N -3.02 1.12 -0.35 -2.27 5.66 0.05 -1.96 114.28 113.50 1m9l n THR 46 Ca -0.01 0.54 0.03 0.00 -3.05 0.00 0.00 64.05 61.56 1m9l n THR 46 Cb 0.02 -1.54 0.09 0.00 -1.55 0.00 0.00 70.33 67.35 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 -1.42 -0.46 -0.33 1.09 0.00 0.16 -0.87 117.00 115.18 1m9l n LEU 47 Ca -0.00 1.65 0.18 0.00 0.00 0.00 0.00 56.01 57.85 1m9l n LEU 47 Cb 0.22 -0.45 0.36 0.00 0.00 0.00 0.00 43.42 43.55 1m9l n LEU 47 CO 0.01 -1.54 0.89 0.07 0.00 0.00 0.00 177.39 176.81 1m9l h LYS 48 N 0.00 0.04 0.00 1.96 2.10 -1.66 0.15 116.57 119.16 1m9l h LYS 48 Ca 0.41 -0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.79 1m9l h LYS 48 Cb 0.65 -0.01 -0.05 0.00 -0.90 0.00 0.00 32.23 31.92 1m9l h LYS 48 CO -0.97 0.03 -1.65 0.00 -2.00 0.00 0.00 179.45 174.86 1m9l n ALA 49 N -2.86 1.61 -1.62 0.07 0.00 -0.04 -5.00 120.51 112.66 1m9l n ALA 49 Ca 0.26 -0.72 -0.63 0.00 0.00 0.00 0.00 53.44 52.36 1m9l n ALA 49 Cb 0.87 -0.87 -0.09 0.00 0.00 0.00 0.00 19.45 19.37 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 3.66 0.00 -3.05 0.00 4.81 -1.24 -4.10 118.16 118.24 1m9l n LYS 51 Ca 0.29 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 57.29 1m9l n LYS 51 Cb -0.05 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.00 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 -2.48 3.85 -2.47 5.64 -0.00 0.15 -0.15 115.22 119.75 1m9l n HIS 52 Ca 0.00 -3.22 -0.42 0.00 0.46 0.00 0.00 57.72 54.54 1m9l n HIS 52 Cb 0.00 -1.63 -0.02 0.00 -0.12 0.00 0.00 29.99 28.22 1m9l n HIS 52 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 1m9l s LEU 53 N -1.36 3.51 -0.28 0.27 2.96 -0.18 -1.58 118.68 122.01 1m9l s LEU 53 Ca 0.33 0.41 -0.03 0.00 -0.22 0.00 0.00 54.13 54.62 1m9l s LEU 53 Cb -0.01 -3.30 0.03 0.00 0.50 0.00 0.00 46.19 43.40 1m9l s LEU 53 CO 0.01 -1.49 0.00 0.00 -1.32 0.00 0.00 176.35 173.55 1m9l s ALA 54 N 5.30 2.85 0.00 5.97 0.00 -0.60 -0.88 121.76 134.39 1m9l s ALA 54 Ca 0.51 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1m9l s ALA 54 Cb -0.10 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.10 1m9l s ALA 54 CO 0.28 -1.02 0.00 1.28 0.00 0.00 0.00 175.76 176.30 1m9l n LEU 55 N 4.71 0.00 0.00 0.00 7.99 -0.26 -1.28 117.00 128.16 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 0.46 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.77 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 -1.11 0.00 -4.46 -1.43 2.88 -1.16 -4.23 113.62 104.11 1m9l n SER 56 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1m9l n SER 56 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 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 0.00 4.27 0.17 2.46 -1.32 -0.41 -0.71 115.64 120.10 1m9l s THR 57 Ca 0.00 -0.28 -0.11 0.00 -1.21 0.00 0.00 61.69 60.09 1m9l s THR 57 Cb 0.00 -4.70 -0.00 0.00 -1.51 0.00 0.00 72.50 66.29 1m9l s THR 57 CO 0.00 -1.49 0.34 0.54 -2.21 0.00 0.00 174.62 171.80 1m9l s ASN 58 N 3.67 -0.03 0.04 8.08 4.22 -0.54 -1.52 114.94 128.86 1m9l s ASN 58 Ca 0.23 -0.79 0.01 0.00 -2.14 0.00 0.00 52.86 50.17 1m9l s ASN 58 Cb -0.16 0.47 -0.03 0.00 1.28 0.00 0.00 41.25 42.82 1m9l s ASN 58 CO 0.11 -0.94 -0.06 0.20 -2.04 0.00 0.00 177.10 174.37 1m9l s ASN 59 N -2.95 0.73 -0.23 3.54 -0.87 -1.22 -1.64 114.94 112.30 1m9l s ASN 59 Ca 0.16 -0.62 -0.03 0.00 -1.57 0.00 0.00 52.86 50.80 1m9l s ASN 59 Cb 0.02 0.07 0.07 0.00 -0.02 0.00 0.00 41.25 41.39 1m9l s ASN 59 CO -0.00 -0.28 0.06 -0.63 -2.57 0.00 0.00 177.10 173.68 1m9l s ILE 60 N -1.81 0.54 -0.19 0.60 1.01 -0.01 -3.80 121.20 117.54 1m9l s ILE 60 Ca -0.08 -0.75 -0.21 0.00 0.00 0.00 0.00 60.65 59.61 1m9l s ILE 60 Cb -0.07 -1.16 -0.20 0.00 0.01 0.00 0.00 42.46 41.03 1m9l s ILE 60 CO -0.01 -0.36 0.28 -0.08 0.00 0.00 0.00 174.94 174.77 1m9l h GLU 61 N 8.23 0.03 -0.98 2.79 4.81 -1.04 -3.37 114.58 125.03 1m9l h GLU 61 Ca -0.16 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 58.90 1m9l h GLU 61 Cb 1.09 0.02 -0.17 0.00 0.63 0.00 0.00 28.75 30.32 1m9l h GLU 61 CO 0.37 1.02 -0.47 0.21 -0.73 0.00 0.00 179.01 179.41 1m9l s LYS 62 N -2.37 1.00 -1.17 1.92 2.20 -0.72 -4.73 119.74 115.87 1m9l s LYS 62 Ca -0.27 -0.86 -0.17 0.00 -0.36 0.00 0.00 55.97 54.31 1m9l s LYS 62 Cb 0.05 -0.01 0.12 0.00 -1.51 0.00 0.00 37.83 36.48 1m9l s LYS 62 CO 0.62 -1.28 1.47 -1.50 -0.36 0.00 0.00 175.35 174.30 1m9l s ILE 63 N 1.11 4.59 -0.05 5.43 -1.16 -1.25 -3.83 121.20 126.05 1m9l s ILE 63 Ca 0.26 -2.03 0.30 0.00 -0.51 0.00 0.00 60.65 58.67 1m9l s ILE 63 Cb -0.01 -4.99 0.32 0.00 0.61 0.00 0.00 42.46 38.39 1m9l s ILE 63 CO -0.06 -1.76 1.90 -1.28 -2.81 0.00 0.00 174.94 170.93 1m9l h SER 64 N 7.87 0.00 0.00 4.50 0.87 -1.50 -3.37 113.55 121.92 1m9l h SER 64 Ca 0.32 0.00 -0.62 0.00 -1.23 0.00 0.00 61.79 60.25 1m9l h SER 64 Cb 0.91 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.90 1m9l h SER 64 CO 1.31 0.00 3.59 -1.54 -0.53 0.00 0.00 176.83 179.66 1m9l n SER 65 N -2.62 7.76 0.04 6.23 3.41 -1.26 -4.62 113.62 122.56 1m9l n SER 65 Ca -0.00 -2.55 -0.13 0.00 -0.26 0.00 0.00 58.87 55.93 1m9l n SER 65 Cb 0.17 -1.48 -0.09 0.00 -0.26 0.00 0.00 64.21 62.55 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 7.49 -0.10 -2.48 1.04 8.10 -1.75 -1.50 115.31 126.10 1m9l h LEU 66 Ca 0.79 -0.32 0.01 0.00 0.11 0.00 0.00 57.88 58.47 1m9l h LEU 66 Cb 0.29 0.03 -0.00 0.00 -0.44 0.00 0.00 40.66 40.53 1m9l h LEU 66 CO 1.74 0.28 0.16 -1.28 -4.11 0.00 0.00 178.44 175.23 1m9l h SER 67 N -0.50 0.00 0.00 0.17 0.87 -1.94 -0.58 113.55 111.57 1m9l h SER 67 Ca -0.01 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 1m9l h SER 67 Cb 0.42 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 1m9l h SER 67 CO 0.02 0.00 -0.23 1.23 -0.53 0.00 0.00 176.83 177.32 1m9l h GLY 68 N 0.00 0.00 1.31 5.77 0.00 -1.84 -3.33 103.07 104.98 1m9l h GLY 68 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.41 1m9l h GLY 68 CO -0.00 0.00 0.29 -0.33 0.00 0.00 0.00 176.54 176.50 1m9l h MET 69 N -1.00 0.00 0.00 4.80 2.07 -0.17 -3.30 114.93 117.33 1m9l h MET 69 Ca -0.06 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.57 1m9l h MET 69 Cb 0.85 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.58 1m9l h MET 69 CO -0.04 0.00 0.00 -1.91 1.07 0.00 0.00 176.91 176.03 1m9l n GLU 70 N -3.54 0.00 0.00 1.72 4.07 -0.34 -1.67 120.64 120.88 1m9l n GLU 70 Ca 0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 1m9l n GLU 70 Cb 0.41 -0.94 0.00 0.00 -0.06 0.00 0.00 31.44 30.85 1m9l n GLU 70 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1m9l n ASN 71 N -0.12 0.13 -4.69 4.31 5.15 -1.24 -4.67 115.26 114.12 1m9l n ASN 71 Ca 0.00 -0.45 -0.35 0.00 -0.60 0.00 0.00 54.58 53.18 1m9l n ASN 71 Cb 0.00 0.51 0.11 0.00 -0.53 0.00 0.00 39.78 39.88 1m9l n ASN 71 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1m9l n LEU 72 N -0.51 4.77 0.13 1.20 7.94 -0.67 -4.53 117.00 125.31 1m9l n LEU 72 Ca 0.00 0.65 0.00 0.00 -1.11 0.00 0.00 56.01 55.55 1m9l n LEU 72 Cb 0.02 -1.51 0.00 0.00 0.53 0.00 0.00 43.42 42.45 1m9l n LEU 72 CO 0.00 -1.55 -0.00 0.54 -1.11 0.00 0.00 177.39 175.27 1m9l n ARG 73 N -2.83 0.00 -3.48 1.96 1.74 -1.11 -3.10 116.66 109.84 1m9l n ARG 73 Ca 0.14 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.85 1m9l n ARG 73 Cb 0.50 -0.05 -0.07 0.00 -1.02 0.00 0.00 32.46 31.82 1m9l n ARG 73 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1m9l s ILE 74 N -2.00 5.27 -0.24 0.55 1.01 0.78 -1.65 121.20 124.92 1m9l s ILE 74 Ca 0.00 0.59 -0.01 0.00 0.00 0.00 0.00 60.65 61.23 1m9l s ILE 74 Cb 0.00 -3.66 0.07 0.00 0.01 0.00 0.00 42.46 38.88 1m9l s ILE 74 CO 0.00 0.33 0.01 -0.22 0.00 0.00 0.00 174.94 175.06 1m9l s LEU 75 N 0.85 2.09 -0.81 2.97 0.20 -0.60 -1.01 118.68 122.38 1m9l s LEU 75 Ca 0.17 -1.17 0.02 0.00 0.69 0.00 0.00 54.13 53.84 1m9l s LEU 75 Cb -0.14 -0.93 0.25 0.00 -0.43 0.00 0.00 46.19 44.94 1m9l s LEU 75 CO 0.06 -0.30 0.90 -1.20 -0.29 0.00 0.00 176.35 175.52 1m9l n SER 76 N 4.82 4.41 -2.22 3.68 7.64 -0.06 -0.82 113.62 131.06 1m9l n SER 76 Ca -0.08 -3.35 0.00 0.00 1.01 0.00 0.00 58.87 56.45 1m9l n SER 76 Cb 0.45 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 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 1.38 0.00 0.23 -3.43 0.00 0.20 -1.11 117.00 114.28 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 0.38 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.80 1m9l n LEU 77 CO 0.46 -0.42 0.00 0.61 0.00 0.00 0.00 177.39 178.04 1m9l n GLY 78 N 4.88 -1.78 2.74 -3.96 0.00 -1.25 -4.52 105.19 101.30 1m9l n GLY 78 Ca 0.00 0.36 -0.26 0.00 0.00 0.00 0.00 46.02 46.12 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 0.61 0.26 1.61 3.00 0.11 -0.07 118.95 122.47 1m9l s ARG 79 Ca 0.00 -0.25 -0.16 0.00 -1.00 0.00 0.00 55.73 54.33 1m9l s ARG 79 Cb 0.00 -1.76 0.01 0.00 0.00 0.00 0.00 34.95 33.19 1m9l s ARG 79 CO 0.00 -0.54 0.58 0.54 0.00 0.00 0.00 175.30 175.87 1m9l s ASN 80 N 1.91 -0.14 -0.06 -2.12 6.03 -0.34 -1.47 114.94 118.75 1m9l s ASN 80 Ca 0.01 -0.82 0.05 0.00 -1.03 0.00 0.00 52.86 51.07 1m9l s ASN 80 Cb -0.16 0.65 -0.00 0.00 -3.03 0.00 0.00 41.25 38.71 1m9l s ASN 80 CO -0.07 -1.23 -0.20 -0.76 -2.03 0.00 0.00 177.10 172.81 1m9l s LEU 81 N -2.98 1.95 -0.02 3.54 1.02 -0.65 -0.95 118.68 120.59 1m9l s LEU 81 Ca 0.18 -0.42 0.01 0.00 0.02 0.00 0.00 54.13 53.92 1m9l s LEU 81 Cb -0.03 -1.13 0.01 0.00 0.02 0.00 0.00 46.19 45.07 1m9l s LEU 81 CO 0.08 0.17 -0.04 -0.63 0.02 0.00 0.00 176.35 175.95 1m9l s ILE 82 N 0.08 0.38 0.13 -0.59 1.01 -0.06 -0.83 121.20 121.32 1m9l s ILE 82 Ca -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.46 1m9l s ILE 82 Cb -0.13 -0.38 0.00 0.00 0.01 0.00 0.00 42.46 41.95 1m9l s ILE 82 CO 0.04 0.15 0.00 0.29 0.00 0.00 0.00 174.94 175.42 1m9l n LYS 83 N 3.52 0.00 -4.24 2.79 5.02 -1.26 -4.09 118.16 119.89 1m9l n LYS 83 Ca -0.20 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.77 1m9l n LYS 83 Cb 0.54 -0.35 -0.08 0.00 -0.02 0.00 0.00 35.03 35.12 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 -1.88 2.85 -0.22 1.97 3.01 -1.26 -4.45 119.74 119.75 1m9l s LYS 84 Ca 0.00 -0.58 -0.20 0.00 -1.01 0.00 0.00 55.97 54.19 1m9l s LYS 84 Cb 0.00 -2.71 -0.03 0.00 -1.01 0.00 0.00 37.83 34.08 1m9l s LYS 84 CO 0.00 0.63 0.58 -1.50 0.51 0.00 0.00 175.35 175.57 1m9l s ILE 85 N -1.11 5.04 0.00 2.17 -1.16 -1.26 -4.82 121.20 120.07 1m9l s ILE 85 Ca 0.20 1.06 0.00 0.00 -0.51 0.00 0.00 60.65 61.40 1m9l s ILE 85 Cb -0.12 -3.89 0.00 0.00 0.61 0.00 0.00 42.46 39.06 1m9l s ILE 85 CO 0.11 0.10 0.68 1.21 -2.81 0.00 0.00 174.94 174.23 1m9l n GLU 86 N 5.24 0.00 0.00 3.50 2.13 -1.26 -4.96 120.64 125.29 1m9l n GLU 86 Ca -0.03 -0.37 0.00 0.00 0.66 0.00 0.00 57.16 57.43 1m9l n GLU 86 Cb 0.50 0.18 0.00 0.00 0.27 0.00 0.00 31.44 32.39 1m9l n GLU 86 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1m9l n ASN 87 N 0.00 0.00 -0.30 4.31 6.94 -1.26 -4.31 115.26 120.63 1m9l n ASN 87 Ca -0.10 0.00 0.12 0.00 -0.02 0.00 0.00 54.58 54.57 1m9l n ASN 87 Cb 0.57 0.00 0.35 0.00 -2.36 0.00 0.00 39.78 38.34 1m9l n ASN 87 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1m9l h LEU 88 N 0.00 0.71 -0.26 -4.53 3.38 -1.93 -1.19 115.31 111.50 1m9l h LEU 88 Ca 0.00 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1m9l h LEU 88 Cb 0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1m9l h LEU 88 CO 0.00 0.34 -0.03 0.44 0.09 0.00 0.00 178.44 179.28 1m9l h ASP 89 N 0.75 0.48 0.53 -0.43 3.32 -1.90 0.29 116.42 119.45 1m9l h ASP 89 Ca 0.48 -0.34 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1m9l h ASP 89 Cb 0.74 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 40.17 1m9l h ASP 89 CO -0.24 0.70 -0.26 0.00 -1.72 0.00 0.00 179.24 177.72 1m9l h ALA 90 N 0.79 -0.71 -0.79 3.45 0.00 -1.69 0.22 119.26 120.54 1m9l h ALA 90 Ca 0.07 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.88 1m9l h ALA 90 Cb 0.47 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 1m9l h ALA 90 CO 0.02 -0.77 0.44 -0.39 0.00 0.00 0.00 179.25 178.55 1m9l h VAL 91 N -0.98 0.90 -0.03 0.00 -1.51 -1.32 -0.84 116.25 112.47 1m9l h VAL 91 Ca -0.07 -0.26 -0.06 0.00 -1.23 0.00 0.00 66.70 65.08 1m9l h VAL 91 Cb 0.62 0.09 -0.01 0.00 -2.13 0.00 0.00 31.29 29.87 1m9l h VAL 91 CO 0.12 0.14 -0.26 0.00 -1.23 0.00 0.00 177.57 176.34 1m9l h ALA 92 N 1.44 1.52 -0.23 5.19 0.00 -0.28 0.49 119.26 127.39 1m9l h ALA 92 Ca 0.38 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1m9l h ALA 92 Cb 0.35 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1m9l h ALA 92 CO -0.25 0.36 -0.23 0.22 0.00 0.00 0.00 179.25 179.35 1m9l h ASP 93 N 0.04 0.61 0.77 0.00 3.58 0.46 -3.29 116.42 118.58 1m9l h ASP 93 Ca 0.01 -0.48 0.00 0.00 0.42 0.00 0.00 57.03 56.98 1m9l h ASP 93 Cb 0.48 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.36 1m9l h ASP 93 CO 0.03 0.96 -0.86 1.07 -2.88 0.00 0.00 179.24 177.56 1m9l n THR 94 N -4.37 0.37 -0.91 2.25 5.66 -0.79 -4.99 114.28 111.50 1m9l n THR 94 Ca -0.05 -0.34 -0.29 0.00 -3.05 0.00 0.00 64.05 60.32 1m9l n THR 94 Cb 0.43 -0.09 0.22 0.00 -1.55 0.00 0.00 70.33 69.34 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 -4.46 0.86 0.09 1.09 1.43 0.17 -4.38 118.68 113.48 1m9l s LEU 95 Ca 0.03 1.09 0.00 0.00 -1.03 0.00 0.00 54.13 54.23 1m9l s LEU 95 Cb 0.13 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 43.33 1m9l s LEU 95 CO 0.76 -3.90 0.00 1.21 0.23 0.00 0.00 176.35 174.65 1m9l n GLU 96 N -4.67 0.00 -3.56 1.70 2.13 -1.01 -4.86 120.64 110.37 1m9l n GLU 96 Ca 0.07 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.52 1m9l n GLU 96 Cb 0.57 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.23 1m9l n GLU 96 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1m9l n GLU 97 N -2.68 2.85 -2.23 5.31 1.02 -0.66 -1.85 120.64 122.40 1m9l n GLU 97 Ca 0.00 -4.50 -0.43 0.00 -0.02 0.00 0.00 57.16 52.22 1m9l n GLU 97 Cb 0.00 -2.42 0.00 0.00 -0.02 0.00 0.00 31.44 29.00 1m9l n GLU 97 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1m9l n LEU 98 N 2.18 5.82 -4.39 -4.62 4.77 -0.39 -1.55 117.00 118.82 1m9l n LEU 98 Ca 0.23 -4.06 -0.45 0.00 -0.03 0.00 0.00 56.01 51.70 1m9l n LEU 98 Cb 0.37 -1.70 -0.03 0.00 -2.33 0.00 0.00 43.42 39.73 1m9l n LEU 98 CO 0.40 0.62 0.58 0.26 -1.33 0.00 0.00 177.39 177.92 1m9l s TRP 99 N 3.54 3.20 -0.34 -1.77 0.51 -0.00 -0.96 118.94 123.13 1m9l s TRP 99 Ca 0.50 -1.32 0.16 0.00 -2.12 0.00 0.00 56.10 53.33 1m9l s TRP 99 Cb 0.08 -4.05 0.43 0.00 -0.81 0.00 0.00 33.47 29.11 1m9l s TRP 99 CO 0.00 -1.29 0.88 0.44 -0.51 0.00 0.00 176.95 176.48 1m9l n ILE 100 N 5.17 0.62 0.00 2.03 -5.35 -0.54 -0.63 119.36 120.66 1m9l n ILE 100 Ca 0.06 -3.53 0.00 0.00 -0.27 0.00 0.00 62.75 59.01 1m9l n ILE 100 Cb 0.45 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.73 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 0.05 0.00 -4.36 7.28 7.64 -1.12 -3.92 113.62 119.19 1m9l n SER 101 Ca 0.14 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.64 1m9l n SER 101 Cb 0.77 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.85 1m9l n SER 101 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1m9l s TYR 102 N -3.54 3.18 -0.01 1.43 6.14 0.90 -0.54 117.35 124.90 1m9l s TYR 102 Ca 0.00 -0.94 -0.11 0.00 0.64 0.00 0.00 57.07 56.66 1m9l s TYR 102 Cb 0.00 -2.30 0.01 0.00 0.42 0.00 0.00 41.96 40.09 1m9l s TYR 102 CO 0.00 -0.58 0.22 0.54 0.64 0.00 0.00 175.55 176.37 1m9l s ASN 103 N 1.52 -0.09 -0.28 4.32 2.20 -0.51 -1.20 114.94 120.90 1m9l s ASN 103 Ca 0.02 -0.02 -0.03 0.00 -0.94 0.00 0.00 52.86 51.90 1m9l s ASN 103 Cb -0.18 0.28 0.03 0.00 -2.00 0.00 0.00 41.25 39.38 1m9l s ASN 103 CO 0.04 -0.38 -0.01 -1.10 -2.94 0.00 0.00 177.10 172.71 1m9l s GLN 104 N -1.22 2.74 0.18 3.55 -0.21 -0.12 0.26 119.66 124.85 1m9l s GLN 104 Ca -0.13 -1.06 0.03 0.00 0.02 0.00 0.00 55.36 54.22 1m9l s GLN 104 Cb -0.06 -3.13 -0.05 0.00 1.00 0.00 0.00 33.01 30.77 1m9l s GLN 104 CO 0.03 -0.49 -0.03 0.42 -2.12 0.00 0.00 175.29 173.10 1m9l s ILE 105 N 1.33 0.90 0.00 1.08 1.01 -0.69 -0.88 121.20 123.95 1m9l s ILE 105 Ca -0.01 -2.01 0.00 0.00 0.00 0.00 0.00 60.65 58.62 1m9l s ILE 105 Cb -0.18 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.18 1m9l s ILE 105 CO -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 174.94 174.42 1m9l n ALA 106 N -0.28 0.00 -2.23 9.38 0.00 -1.26 -4.34 120.51 121.78 1m9l n ALA 106 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.96 1m9l n ALA 106 Cb 0.63 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.03 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 7.46 0.04 0.00 0.01 -1.26 -5.00 113.70 114.95 1m9l s SER 107 Ca 0.00 1.84 -0.22 0.00 1.31 0.00 0.00 55.95 58.89 1m9l s SER 107 Cb 0.00 -2.59 -0.15 0.00 0.21 0.00 0.00 66.02 63.49 1m9l s SER 107 CO 0.00 -0.09 1.40 -0.07 0.41 0.00 0.00 173.24 174.89 1m9l h LEU 108 N 5.52 0.25 -0.43 2.44 -0.00 -1.98 -1.51 115.31 119.58 1m9l h LEU 108 Ca -0.43 -0.40 -0.01 0.00 -0.00 0.00 0.00 57.88 57.04 1m9l h LEU 108 Cb 1.21 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 41.78 1m9l h LEU 108 CO 0.72 0.59 0.23 -1.28 -0.00 0.00 0.00 178.44 178.70 1m9l h SER 109 N -0.10 0.55 0.27 -0.43 0.87 -1.99 -0.94 113.55 111.77 1m9l h SER 109 Ca 0.03 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1m9l h SER 109 Cb 0.49 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1m9l h SER 109 CO 0.02 0.49 -0.19 1.23 -0.53 0.00 0.00 176.83 177.85 1m9l h GLY 110 N 0.57 -0.75 0.13 5.77 0.00 -1.92 -1.80 103.07 105.07 1m9l h GLY 110 Ca 0.15 0.32 0.18 0.00 0.00 0.00 0.00 47.33 47.99 1m9l h GLY 110 CO -0.02 -0.26 0.57 0.16 0.00 0.00 0.00 176.54 176.99 1m9l h ILE 111 N -0.43 0.70 0.21 2.60 -0.00 -1.30 0.74 117.51 120.02 1m9l h ILE 111 Ca -0.04 -0.25 0.01 0.00 -0.00 0.00 0.00 64.86 64.58 1m9l h ILE 111 Cb 0.35 -0.09 -0.02 0.00 -0.00 0.00 0.00 36.82 37.06 1m9l h ILE 111 CO 0.02 0.13 -0.24 -0.08 -0.00 0.00 0.00 178.15 177.99 1m9l h GLU 112 N 0.73 -0.47 0.14 0.16 4.81 -0.97 -0.43 114.58 118.54 1m9l h GLU 112 Ca 0.56 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.82 1m9l h GLU 112 Cb 0.87 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.35 1m9l h GLU 112 CO -0.39 -0.31 -0.07 0.87 -0.73 0.00 0.00 179.01 178.38 1m9l h LYS 113 N -0.49 -0.18 -0.84 1.92 1.57 -0.58 -1.27 116.57 116.70 1m9l h LYS 113 Ca 0.00 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.94 1m9l h LYS 113 Cb 0.47 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.76 1m9l h LYS 113 CO -0.07 0.19 0.55 1.37 -0.57 0.00 0.00 179.45 180.92 1m9l h LEU 114 N -0.96 0.56 0.12 2.94 8.10 -0.97 -1.12 115.31 123.99 1m9l h LEU 114 Ca -0.02 0.03 -0.17 0.00 0.11 0.00 0.00 57.88 57.83 1m9l h LEU 114 Cb 0.45 -0.08 0.02 0.00 -0.44 0.00 0.00 40.66 40.61 1m9l h LEU 114 CO 0.03 0.28 -0.74 0.58 -4.11 0.00 0.00 178.44 174.48 1m9l h VAL 115 N 0.59 1.53 -1.24 0.15 2.07 -1.17 -3.28 116.25 114.89 1m9l h VAL 115 Ca 0.42 -2.50 0.36 0.00 0.82 0.00 0.00 66.70 65.80 1m9l h VAL 115 Cb 0.77 3.19 -0.05 0.00 -1.52 0.00 0.00 31.29 33.67 1m9l h VAL 115 CO -0.17 0.70 0.92 -1.13 0.02 0.00 0.00 177.57 177.91 1m9l h ASN 116 N -0.40 0.00 -0.89 0.57 -1.24 -0.05 -3.43 115.58 110.14 1m9l h ASN 116 Ca -0.13 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.88 1m9l h ASN 116 Cb 1.58 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.63 1m9l h ASN 116 CO 0.14 0.00 0.00 -0.11 -1.29 0.00 0.00 177.43 176.17 1m9l n LEU 117 N -4.10 0.00 -0.02 0.34 7.94 -0.61 -4.59 117.00 115.96 1m9l n LEU 117 Ca 0.27 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 55.17 1m9l n LEU 117 Cb 1.32 -0.44 -0.00 0.00 0.53 0.00 0.00 43.42 44.83 1m9l n LEU 117 CO 0.40 -1.79 0.01 0.03 -1.11 0.00 0.00 177.39 174.92 1m9l h ARG 118 N 0.00 -0.01 -4.60 1.96 2.47 -1.84 -3.40 114.38 108.96 1m9l h ARG 118 Ca 0.00 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 58.20 1m9l h ARG 118 Cb 0.00 0.00 -0.33 0.00 -1.65 0.00 0.00 29.97 27.99 1m9l h ARG 118 CO 0.00 -0.01 -0.82 0.54 0.56 0.00 0.00 179.97 180.25 1m9l s VAL 119 N -1.28 1.17 -0.08 2.04 0.11 -0.77 -1.69 120.40 119.89 1m9l s VAL 119 Ca -0.00 -0.50 -0.04 0.00 -2.93 0.00 0.00 61.98 58.50 1m9l s VAL 119 Cb 0.00 -1.06 0.04 0.00 -1.53 0.00 0.00 36.38 33.83 1m9l s VAL 119 CO 0.00 0.36 0.18 -1.48 -3.33 0.00 0.00 175.10 170.83 1m9l s LEU 120 N 0.62 0.76 -0.23 2.54 2.34 -0.63 -1.26 118.68 122.82 1m9l s LEU 120 Ca -0.14 0.37 -0.01 0.00 0.06 0.00 0.00 54.13 54.41 1m9l s LEU 120 Cb -0.16 0.52 0.02 0.00 -0.56 0.00 0.00 46.19 46.02 1m9l s LEU 120 CO 0.04 -0.13 -0.09 -0.31 -1.06 0.00 0.00 176.35 174.80 1m9l s TYR 121 N 0.97 3.01 -0.38 3.48 2.02 -0.13 -0.94 117.35 125.39 1m9l s TYR 121 Ca -0.07 -1.55 0.01 0.00 -0.37 0.00 0.00 57.07 55.09 1m9l s TYR 121 Cb -0.09 -2.03 0.14 0.00 -0.40 0.00 0.00 41.96 39.58 1m9l s TYR 121 CO -0.05 -0.73 0.24 -1.64 -1.57 0.00 0.00 175.55 171.79 1m9l s MET 122 N 1.32 0.71 0.31 -0.62 -1.94 0.11 -1.46 119.30 117.73 1m9l s MET 122 Ca 0.01 -1.56 0.16 0.00 -1.71 0.00 0.00 55.69 52.59 1m9l s MET 122 Cb -0.16 -1.46 0.30 0.00 2.01 0.00 0.00 34.83 35.52 1m9l s MET 122 CO -0.06 -1.23 1.55 0.66 -0.01 0.00 0.00 175.02 175.93 1m9l h SER 123 N 6.73 0.00 -2.03 3.03 4.64 -1.69 0.67 113.55 124.91 1m9l h SER 123 Ca 0.09 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.88 1m9l h SER 123 Cb 0.95 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.64 1m9l h SER 123 CO 0.31 0.48 -1.10 0.59 -0.87 0.00 0.00 176.83 176.24 1m9l n ASN 124 N -3.35 0.97 -4.94 4.97 3.02 0.30 -0.35 115.26 115.89 1m9l n ASN 124 Ca 0.01 -2.96 -0.23 0.00 -0.03 0.00 0.00 54.58 51.37 1m9l n ASN 124 Cb 0.66 -0.63 0.05 0.00 -0.61 0.00 0.00 39.78 39.26 1m9l n ASN 124 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1m9l s ASN 125 N -2.04 5.02 -0.23 6.41 2.20 0.16 -1.42 114.94 125.05 1m9l s ASN 125 Ca 0.39 0.17 -0.01 0.00 -0.94 0.00 0.00 52.86 52.46 1m9l s ASN 125 Cb 0.27 -0.92 0.07 0.00 -2.00 0.00 0.00 41.25 38.66 1m9l s ASN 125 CO -0.09 -1.38 0.01 -0.54 -2.94 0.00 0.00 177.10 172.17 1m9l s LYS 126 N -4.99 1.04 -0.17 3.55 -0.14 0.14 -3.58 119.74 115.59 1m9l s LYS 126 Ca 0.59 -0.78 -0.19 0.00 -1.36 0.00 0.00 55.97 54.23 1m9l s LYS 126 Cb -0.10 -2.29 0.05 0.00 -1.68 0.00 0.00 37.83 33.81 1m9l s LYS 126 CO 0.41 -0.69 0.52 0.42 -0.76 0.00 0.00 175.35 175.25 1m9l s ILE 127 N 1.62 0.00 0.00 2.17 1.01 -1.26 -1.70 121.20 123.05 1m9l s ILE 127 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.61 1m9l s ILE 127 Cb -0.18 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.55 1m9l s ILE 127 CO -0.10 -0.02 0.07 0.35 0.00 0.00 0.00 174.94 175.24 1m9l n THR 128 N 2.56 0.00 -1.19 2.92 -2.24 -1.26 -1.66 114.28 113.41 1m9l n THR 128 Ca -0.14 -0.08 -0.23 0.00 -2.27 0.00 0.00 64.05 61.33 1m9l n THR 128 Cb 0.56 1.77 -0.11 0.00 -2.10 0.00 0.00 70.33 70.45 1m9l n THR 128 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1m9l n ASN 129 N -0.01 6.55 -0.26 3.42 2.85 -1.26 -4.63 115.26 121.91 1m9l n ASN 129 Ca 0.00 -2.61 0.07 0.00 -0.11 0.00 0.00 54.58 51.92 1m9l n ASN 129 Cb 0.19 -1.44 0.20 0.00 1.24 0.00 0.00 39.78 39.98 1m9l n ASN 129 CO 0.00 0.00 0.00 -0.25 -2.11 0.00 0.00 177.26 174.90 1m9l h TRP 130 N 3.67 0.47 -0.72 1.20 7.01 -1.94 0.24 115.95 125.88 1m9l h TRP 130 Ca 0.44 0.04 0.13 0.00 2.11 0.00 0.00 58.89 61.61 1m9l h TRP 130 Cb 1.01 -0.09 -0.13 0.00 -2.10 0.00 0.00 29.16 27.86 1m9l h TRP 130 CO 1.78 0.01 -0.23 0.41 -2.79 0.00 0.00 178.44 177.62 1m9l n GLY 131 N -1.34 -1.34 0.21 2.65 0.00 -1.26 -1.53 105.19 102.58 1m9l n GLY 131 Ca 0.16 0.79 -0.02 0.00 0.00 0.00 0.00 46.02 46.95 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 -5.13 0.09 -0.26 1.61 1.02 -0.83 -4.77 120.64 112.37 1m9l n GLU 132 Ca 0.10 0.04 0.17 0.00 -0.02 0.00 0.00 57.16 57.44 1m9l n GLU 132 Cb 0.33 -0.58 0.32 0.00 -0.02 0.00 0.00 31.44 31.49 1m9l n GLU 132 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1m9l n ILE 133 N -2.87 -0.32 -0.29 -3.67 5.41 0.78 -1.22 119.36 117.17 1m9l n ILE 133 Ca -0.02 1.63 0.11 0.00 1.00 0.00 0.00 62.75 65.46 1m9l n ILE 133 Cb 0.09 -2.49 0.25 0.00 -0.71 0.00 0.00 39.64 36.78 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 -0.12 0.00 4.38 3.58 -1.43 -1.38 116.42 121.46 1m9l h ASP 134 Ca 0.55 0.20 -0.31 0.00 0.42 0.00 0.00 57.03 57.88 1m9l h ASP 134 Cb 1.29 0.30 -0.05 0.00 1.72 0.00 0.00 39.33 42.59 1m9l h ASP 134 CO -0.66 -0.17 -2.03 0.29 -2.88 0.00 0.00 179.24 173.79 1m9l n LYS 135 N -5.27 0.57 0.05 0.28 5.02 -0.75 -4.61 118.16 113.45 1m9l n LYS 135 Ca 0.19 0.25 0.17 0.00 -2.02 0.00 0.00 58.31 56.90 1m9l n LYS 135 Cb 0.62 -1.47 0.39 0.00 -0.02 0.00 0.00 35.03 34.55 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 -1.00 0.00 -0.75 -0.35 5.85 -1.08 -0.65 115.31 117.33 1m9l h LEU 136 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1m9l h LEU 136 Cb 1.41 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.44 1m9l h LEU 136 CO -0.29 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 177.81 1m9l n ALA 137 N -2.00 2.03 -3.53 1.25 0.00 -0.53 -4.65 120.51 113.08 1m9l n ALA 137 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.35 1m9l n ALA 137 Cb 1.12 -1.00 0.08 0.00 0.00 0.00 0.00 19.45 19.65 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 0.01 -1.71 0.28 0.00 0.00 -0.33 -3.37 120.51 115.39 1m9l n ALA 138 Ca 0.00 0.13 -0.17 0.00 0.00 0.00 0.00 53.44 53.40 1m9l n ALA 138 Cb 0.12 -3.74 -0.09 0.00 0.00 0.00 0.00 19.45 15.74 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 -2.24 -1.33 -1.76 0.00 7.12 -1.60 -1.58 115.31 113.92 1m9l h LEU 139 Ca -0.58 0.11 0.15 0.00 0.13 0.00 0.00 57.88 57.68 1m9l h LEU 139 Cb 1.35 0.44 -0.04 0.00 -0.53 0.00 0.00 40.66 41.88 1m9l h LEU 139 CO 0.53 -0.64 0.45 -0.78 -0.13 0.00 0.00 178.44 177.87 1m9l h ASP 140 N -0.97 0.22 0.00 1.25 3.58 -1.92 -3.28 116.42 115.30 1m9l h ASP 140 Ca -0.06 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1m9l h ASP 140 Cb 0.84 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.86 1m9l h ASP 140 CO -0.06 0.12 0.00 1.17 -2.88 0.00 0.00 179.24 177.59 1m9l n LYS 141 N -4.43 0.00 -0.06 0.28 4.81 -1.05 -3.43 118.16 114.27 1m9l n LYS 141 Ca 0.12 0.43 -0.02 0.00 -0.87 0.00 0.00 58.31 57.97 1m9l n LYS 141 Cb 0.55 -0.93 -0.00 0.00 0.02 0.00 0.00 35.03 34.67 1m9l n LYS 141 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1m9l n LEU 142 N -2.00 -0.09 -0.08 3.14 0.00 -0.62 -1.40 117.00 115.95 1m9l n LEU 142 Ca 0.00 0.04 -0.08 0.00 0.00 0.00 0.00 56.01 55.98 1m9l n LEU 142 Cb 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 43.42 43.35 1m9l n LEU 142 CO 0.00 -0.16 -0.58 -0.62 0.00 0.00 0.00 177.39 176.04 1m9l n GLU 143 N 0.05 0.47 -3.97 1.96 4.71 -1.26 -3.32 120.64 119.28 1m9l n GLU 143 Ca 0.01 0.22 -0.33 0.00 -0.01 0.00 0.00 57.16 57.05 1m9l n GLU 143 Cb 0.01 -1.36 -0.14 0.00 -1.01 0.00 0.00 31.44 28.94 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 -5.69 4.82 -0.05 1.62 1.01 -0.68 -1.47 116.67 116.22 1m9l s ASP 144 Ca -0.25 -1.88 0.04 0.00 0.71 0.00 0.00 52.55 51.17 1m9l s ASP 144 Cb 0.03 -1.66 0.00 0.00 1.01 0.00 0.00 42.92 42.30 1m9l s ASP 144 CO 0.36 -0.36 -0.16 -1.48 0.21 0.00 0.00 175.17 173.74 1m9l s LEU 145 N 1.03 1.87 -0.15 1.23 2.34 -0.71 -1.61 118.68 122.68 1m9l s LEU 145 Ca 0.05 -0.35 -0.02 0.00 0.06 0.00 0.00 54.13 53.87 1m9l s LEU 145 Cb -0.20 -0.95 0.05 0.00 -0.56 0.00 0.00 46.19 44.52 1m9l s LEU 145 CO -0.06 0.13 -0.00 -0.22 -1.06 0.00 0.00 176.35 175.14 1m9l s LEU 146 N 0.18 1.16 -0.38 1.48 2.96 -0.11 -0.16 118.68 123.82 1m9l s LEU 146 Ca -0.07 -0.57 0.12 0.00 -0.22 0.00 0.00 54.13 53.39 1m9l s LEU 146 Cb -0.13 -0.66 0.38 0.00 0.50 0.00 0.00 46.19 46.29 1m9l s LEU 146 CO 0.03 -0.24 0.93 0.00 -1.32 0.00 0.00 176.35 175.75 1m9l n LEU 147 N 5.02 0.11 0.48 -0.68 -0.00 -1.20 0.06 117.00 120.79 1m9l n LEU 147 Ca -0.09 -4.26 -0.19 0.00 -0.00 0.00 0.00 56.01 51.47 1m9l n LEU 147 Cb 0.48 0.61 -0.09 0.00 -0.00 0.00 0.00 43.42 44.42 1m9l n LEU 147 CO 0.13 2.01 0.49 0.00 -0.00 0.00 0.00 177.39 180.02 1m9l h ALA 148 N 2.89 -1.23 -2.14 1.47 0.00 -1.04 -3.43 119.26 115.78 1m9l h ALA 148 Ca -0.03 -0.27 -0.62 0.00 0.00 0.00 0.00 54.91 53.99 1m9l h ALA 148 Cb 1.09 0.48 -0.12 0.00 0.00 0.00 0.00 17.79 19.23 1m9l h ALA 148 CO 0.37 -1.14 0.36 0.20 0.00 0.00 0.00 179.25 179.04 1m9l s GLY 149 N -2.15 1.64 0.00 0.00 0.00 0.53 -4.50 107.32 102.85 1m9l s GLY 149 Ca -0.18 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 43.77 1m9l s GLY 149 CO 0.54 1.76 0.00 1.16 0.00 0.00 0.00 173.10 176.56 1m9l n ASN 150 N 6.50 0.00 -0.34 1.64 0.23 -1.23 0.39 115.26 122.44 1m9l n ASN 150 Ca 0.03 0.00 0.27 0.00 -0.53 0.00 0.00 54.58 54.34 1m9l n ASN 150 Cb 0.48 0.00 0.52 0.00 -2.08 0.00 0.00 39.78 38.70 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 0.23 0.00 -0.53 0.11 -1.81 -1.62 132.00 128.37 1m9l h PRO 151 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1m9l h PRO 151 Cb 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1m9l h PRO 151 CO 0.00 0.15 0.00 1.28 -0.21 0.00 0.00 178.00 179.22 1m9l n LEU 152 N -5.06 0.00 -0.18 2.35 4.77 -0.66 -0.61 117.00 117.61 1m9l n LEU 152 Ca 0.34 0.81 -0.04 0.00 -0.03 0.00 0.00 56.01 57.09 1m9l n LEU 152 Cb 1.09 -0.31 0.06 0.00 -2.33 0.00 0.00 43.42 41.94 1m9l n LEU 152 CO 0.09 -0.31 1.03 0.22 -1.33 0.00 0.00 177.39 177.09 1m9l h TYR 153 N 0.00 0.49 -0.55 -1.77 5.03 -1.75 -1.08 116.97 117.34 1m9l h TYR 153 Ca 0.00 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.38 1m9l h TYR 153 Cb 0.00 -0.14 -0.03 0.00 1.55 0.00 0.00 36.73 38.11 1m9l h TYR 153 CO -0.23 0.23 0.37 -0.91 -1.32 0.00 0.00 178.16 176.30 1m9l h ASN 154 N 0.52 0.48 -0.10 -2.11 -0.26 -1.32 -1.68 115.58 111.12 1m9l h ASN 154 Ca 0.24 -0.00 -0.20 0.00 -0.56 0.00 0.00 56.30 55.78 1m9l h ASN 154 Cb 0.16 -0.11 0.01 0.00 -1.06 0.00 0.00 38.32 37.33 1m9l h ASN 154 CO -0.18 0.32 -0.73 0.44 -1.06 0.00 0.00 177.43 176.22 1m9l h ASP 155 N 0.56 0.82 -0.29 5.81 5.19 0.36 -3.13 116.42 125.73 1m9l h ASP 155 Ca 0.23 -0.66 0.06 0.00 -0.62 0.00 0.00 57.03 56.04 1m9l h ASP 155 Cb 0.22 -0.24 -0.06 0.00 0.18 0.00 0.00 39.33 39.42 1m9l h ASP 155 CO -0.06 1.36 -0.09 0.22 -3.12 0.00 0.00 179.24 177.54 1m9l h TYR 156 N 0.34 -0.20 0.00 4.55 3.20 -0.64 -3.47 116.97 120.75 1m9l h TYR 156 Ca -0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1m9l h TYR 156 Cb 1.38 0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.78 1m9l h TYR 156 CO 0.10 -0.15 0.00 1.17 -1.64 0.00 0.00 178.16 177.65 1m9l n LYS 157 N -5.26 0.00 0.00 1.82 3.00 -0.70 -4.69 118.16 112.33 1m9l n LYS 157 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1m9l n LYS 157 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.21 1m9l n LYS 157 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1m9l n GLU 158 N 0.00 0.00 -0.21 1.64 0.28 -1.22 -1.31 120.64 119.82 1m9l n GLU 158 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1m9l n GLU 158 Cb 0.00 -1.47 0.00 0.00 1.43 0.00 0.00 31.44 31.40 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 -0.60 0.00 0.00 -1.84 5.15 -1.26 -4.81 115.26 111.91 1m9l n ASN 159 Ca 0.00 -1.33 0.00 0.00 -0.60 0.00 0.00 54.58 52.65 1m9l n ASN 159 Cb 0.00 -0.07 0.00 0.00 -0.53 0.00 0.00 39.78 39.18 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 0.00 0.00 -0.19 1.20 5.15 -0.56 -4.90 115.26 115.96 1m9l n ASN 160 Ca 0.00 0.00 0.09 0.00 -0.60 0.00 0.00 54.58 54.07 1m9l n ASN 160 Cb 0.57 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.75 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 -0.73 4.02 0.17 5.20 0.00 -0.43 -4.19 120.51 124.55 1m9l n ALA 161 Ca 0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 53.44 52.78 1m9l n ALA 161 Cb 0.00 -0.69 -0.06 0.00 0.00 0.00 0.00 19.45 18.70 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 0.92 0.26 -0.35 0.00 2.02 -1.87 0.20 112.91 114.08 1m9l h THR 162 Ca 0.00 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1m9l h THR 162 Cb 0.54 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1m9l h THR 162 CO 0.00 0.06 0.23 -1.28 0.37 0.00 0.00 175.52 174.90 1m9l h SER 163 N -1.05 0.41 -0.41 4.18 0.87 -1.80 -0.59 113.55 115.17 1m9l h SER 163 Ca -0.05 -0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.41 1m9l h SER 163 Cb 0.49 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 1m9l h SER 163 CO 0.08 0.30 -0.07 -0.08 -0.53 0.00 0.00 176.83 176.54 1m9l h GLU 164 N 0.48 0.77 0.31 2.24 4.81 -1.72 -1.49 114.58 119.98 1m9l h GLU 164 Ca 0.13 -0.28 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1m9l h GLU 164 Cb -0.05 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1m9l h GLU 164 CO -0.03 0.88 -0.27 1.88 -0.73 0.00 0.00 179.01 180.74 1m9l h TYR 165 N 0.59 -0.72 -0.49 0.92 0.05 0.59 -0.15 116.97 117.77 1m9l h TYR 165 Ca 0.11 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.77 1m9l h TYR 165 Cb 0.58 0.27 -0.02 0.00 1.01 0.00 0.00 36.73 38.58 1m9l h TYR 165 CO 0.05 -0.40 -0.16 -0.09 -1.05 0.00 0.00 178.16 176.51 1m9l h ARG 166 N -0.59 0.94 -0.93 4.88 1.12 -1.33 0.25 114.38 118.72 1m9l h ARG 166 Ca -0.02 -0.36 0.11 0.00 -1.11 0.00 0.00 59.98 58.60 1m9l h ARG 166 Cb 0.53 -0.05 -0.07 0.00 -0.01 0.00 0.00 29.97 30.37 1m9l h ARG 166 CO -0.03 1.02 0.59 0.82 -3.11 0.00 0.00 179.97 179.26 1m9l h ILE 167 N 0.83 0.95 -0.08 1.20 2.04 -1.16 0.16 117.51 121.44 1m9l h ILE 167 Ca 0.12 -0.31 -0.13 0.00 1.00 0.00 0.00 64.86 65.54 1m9l h ILE 167 Cb 0.70 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1m9l h ILE 167 CO 0.05 0.17 -0.55 -0.33 0.00 0.00 0.00 178.15 177.49 1m9l h GLU 168 N 0.91 0.24 0.00 2.37 5.08 -0.44 -1.02 114.58 121.72 1m9l h GLU 168 Ca 0.44 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1m9l h GLU 168 Cb 0.45 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1m9l h GLU 168 CO -0.20 0.73 0.00 0.28 -1.00 0.00 0.00 179.01 178.82 1m9l n VAL 169 N -3.92 0.00 -0.22 3.13 0.31 0.45 0.02 118.33 118.11 1m9l n VAL 169 Ca -0.02 1.40 0.01 0.00 -0.01 0.00 0.00 64.34 65.72 1m9l n VAL 169 Cb 0.58 -2.40 0.12 0.00 -0.91 0.00 0.00 33.84 31.23 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 0.77 -0.03 2.52 3.04 -1.31 0.13 116.25 121.36 1m9l h VAL 170 Ca 0.00 -0.15 -0.05 0.00 -1.01 0.00 0.00 66.70 65.48 1m9l h VAL 170 Cb 0.00 0.29 0.00 0.00 -2.01 0.00 0.00 31.29 29.57 1m9l h VAL 170 CO 0.00 0.08 -0.19 0.50 -1.01 0.00 0.00 177.57 176.95 1m9l h LYS 171 N 0.44 0.19 0.00 4.17 3.64 -1.26 -3.42 116.57 120.32 1m9l h LYS 171 Ca 0.33 -0.15 -0.40 0.00 -1.27 0.00 0.00 60.65 59.15 1m9l h LYS 171 Cb 0.40 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.19 1m9l h LYS 171 CO -0.31 0.82 -2.43 -2.13 -2.27 0.00 0.00 179.45 173.13 1m9l n ARG 172 N -4.57 0.58 -3.26 1.90 0.63 0.10 -5.05 116.66 107.00 1m9l n ARG 172 Ca -0.09 0.19 -0.34 0.00 -0.92 0.00 0.00 57.85 56.69 1m9l n ARG 172 Cb 0.43 -1.46 -0.06 0.00 0.45 0.00 0.00 32.46 31.82 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 -6.90 4.24 0.00 6.15 1.43 0.44 -5.00 118.68 119.04 1m9l s LEU 173 Ca -0.35 1.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 1m9l s LEU 173 Cb 0.11 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.71 1m9l s LEU 173 CO 0.52 -0.02 0.00 -0.81 0.23 0.00 0.00 176.35 176.26 1m9l n PRO 174 N 0.31 0.00 0.00 1.29 -0.04 -1.26 -4.68 135.00 130.62 1m9l n PRO 174 Ca -0.01 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1m9l n PRO 174 Cb 0.52 -0.90 0.00 0.00 -0.04 0.00 0.00 33.50 33.08 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 -1.89 0.00 0.00 3.54 4.13 -1.26 -4.90 115.26 114.88 1m9l n ASN 175 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1m9l n ASN 175 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1m9l n ASN 175 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1m9l n LEU 176 N 0.00 0.00 -0.01 3.41 7.94 -0.49 -4.96 117.00 122.89 1m9l n LEU 176 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.89 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 -0.54 0.29 -1.11 0.00 0.00 177.39 176.03 1m9l n LYS 177 N 0.00 0.03 -3.60 1.96 5.02 -1.22 -4.86 118.16 115.48 1m9l n LYS 177 Ca 0.00 0.01 -0.40 0.00 -2.02 0.00 0.00 58.31 55.90 1m9l n LYS 177 Cb 0.00 -0.86 -0.08 0.00 -0.02 0.00 0.00 35.03 34.07 1m9l n LYS 177 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1m9l s LYS 178 N -2.02 2.59 -0.62 1.97 -0.14 -0.54 -4.94 119.74 116.03 1m9l s LYS 178 Ca -0.02 -2.10 -0.16 0.00 -1.36 0.00 0.00 55.97 52.33 1m9l s LYS 178 Cb 0.00 -3.89 0.15 0.00 -1.68 0.00 0.00 37.83 32.42 1m9l s LYS 178 CO 0.03 -1.18 0.60 -1.17 -0.76 0.00 0.00 175.35 172.86 1m9l s LEU 179 N 0.73 6.20 0.00 3.17 2.96 -1.26 -1.74 118.68 128.74 1m9l s LEU 179 Ca 0.11 -1.97 0.00 0.00 -0.22 0.00 0.00 54.13 52.06 1m9l s LEU 179 Cb -0.22 -2.23 0.00 0.00 0.50 0.00 0.00 46.19 44.25 1m9l s LEU 179 CO -0.03 -0.83 0.00 -0.67 -1.32 0.00 0.00 176.35 173.50 1m9l n ASP 180 N 5.11 0.00 0.00 3.68 2.03 0.78 -4.52 116.55 123.63 1m9l n ASP 180 Ca -0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1m9l n ASP 180 Cb 0.42 -1.73 0.00 0.00 -0.72 0.00 0.00 41.12 39.10 1m9l n ASP 180 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1m9l n GLY 181 N -2.00 0.11 0.14 0.27 0.00 -1.26 -4.54 105.19 97.91 1m9l n GLY 181 Ca 0.00 -0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.03 -0.38 1.61 2.81 -1.26 -1.76 117.12 118.10 1m9l n MET 182 Ca 0.00 0.61 0.37 0.00 -1.81 0.00 0.00 57.70 56.87 1m9l n MET 182 Cb 0.00 -0.94 0.64 0.00 -0.71 0.00 0.00 33.22 32.21 1m9l n MET 182 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1m9l h PRO 183 N 0.00 0.00 0.00 0.03 0.11 -1.80 -3.10 132.00 127.24 1m9l h PRO 183 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1m9l h PRO 183 Cb 0.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.53 1m9l h PRO 183 CO -0.39 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 178.73 1m9l n VAL 184 N -3.64 0.00 -0.45 3.15 0.24 -0.72 -4.30 118.33 112.60 1m9l n VAL 184 Ca 0.30 1.49 -0.01 0.00 -2.04 0.00 0.00 64.34 64.08 1m9l n VAL 184 Cb 1.60 -1.99 -0.00 0.00 -1.47 0.00 0.00 33.84 31.97 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 -2.95 -2.16 0.00 -1.34 8.00 -1.18 -0.93 116.55 115.99 1m9l n ASP 185 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1m9l n ASP 185 Cb 0.00 -1.64 0.00 0.00 -0.02 0.00 0.00 41.12 39.46 1m9l n ASP 185 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1m9l n VAL 186 N -0.81 0.00 0.01 2.53 3.14 -1.26 -4.87 118.33 117.07 1m9l n VAL 186 Ca -0.01 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.26 1m9l n VAL 186 Cb 0.19 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 32.83 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 0.11 -0.09 6.55 3.58 -1.32 -3.34 116.42 121.91 1m9l h ASP 187 Ca 0.00 -0.20 0.03 0.00 0.42 0.00 0.00 57.03 57.27 1m9l h ASP 187 Cb 0.00 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.01 1m9l h ASP 187 CO 0.00 1.18 0.19 -0.33 -2.88 0.00 0.00 179.24 177.40 1m9l h GLU 188 N 0.02 0.00 -0.16 0.28 4.39 -1.63 0.31 114.58 117.79 1m9l h GLU 188 Ca -0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1m9l h GLU 188 Cb 1.98 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.63 1m9l h GLU 188 CO 0.10 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.49 1m9l n ARG 189 N -3.36 2.17 0.02 2.33 5.12 -1.25 -2.96 116.66 118.73 1m9l n ARG 189 Ca -0.00 -1.74 -0.00 0.00 -1.93 0.00 0.00 57.85 54.18 1m9l n ARG 189 Cb 0.28 -1.47 -0.00 0.00 -1.16 0.00 0.00 32.46 30.11 1m9l n ARG 189 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1m9l n GLU 190 N 1.02 0.00 0.18 5.56 -0.58 0.55 -4.45 120.64 122.92 1m9l n GLU 190 Ca 0.17 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.79 1m9l n GLU 190 Cb 0.51 -0.25 -0.07 0.00 -0.57 0.00 0.00 31.44 31.07 1m9l n GLU 190 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1m9l h GLN 191 N -0.00 -0.49 -0.00 3.49 4.15 -0.78 -0.82 115.11 120.65 1m9l h GLN 191 Ca 0.00 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1m9l h GLN 191 Cb 0.00 0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.81 1m9l h GLN 191 CO 0.00 -0.19 0.00 0.00 -1.93 0.00 0.00 178.83 176.71 1m9l h ALA 192 N -0.71 1.12 0.20 3.38 0.00 -1.59 0.67 119.26 122.32 1m9l h ALA 192 Ca -0.05 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.52 1m9l h ALA 192 Cb 0.53 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.33 1m9l h ALA 192 CO 0.09 -0.00 -1.65 -0.97 0.00 0.00 0.00 179.25 176.72 1m9l h ASN 193 N 0.00 0.65 0.07 0.00 -1.24 -1.45 0.43 115.58 114.03 1m9l h ASN 193 Ca 0.00 -0.87 -0.12 0.00 0.71 0.00 0.00 56.30 56.03 1m9l h ASN 193 Cb 0.00 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 38.83 1m9l h ASN 193 CO -0.00 1.72 -0.38 0.58 -1.29 0.00 0.00 177.43 178.06 1m9l h VAL 194 N 0.11 1.30 0.20 2.57 2.07 -0.21 -0.98 116.25 121.30 1m9l h VAL 194 Ca -0.31 -1.50 -0.32 0.00 0.82 0.00 0.00 66.70 65.40 1m9l h VAL 194 Cb 2.11 1.57 0.02 0.00 -1.52 0.00 0.00 31.29 33.47 1m9l h VAL 194 CO 0.20 0.46 -1.43 0.00 0.02 0.00 0.00 177.57 176.83 1m9l h ALA 195 N 1.24 -0.01 -0.31 1.67 0.00 -0.98 -2.81 119.26 118.06 1m9l h ALA 195 Ca 0.04 -0.91 -0.00 0.00 0.00 0.00 0.00 54.91 54.03 1m9l h ALA 195 Cb 0.83 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1m9l h ALA 195 CO 0.07 0.85 0.19 -0.09 0.00 0.00 0.00 179.25 180.27 1m9l h ARG 196 N 0.11 0.42 0.00 0.00 2.43 -0.83 -3.45 114.38 113.06 1m9l h ARG 196 Ca -0.22 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1m9l h ARG 196 Cb 2.09 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.55 1m9l h ARG 196 CO 0.24 0.32 0.00 0.41 -1.51 0.00 0.00 179.97 179.43 1m9l n GLY 197 N -1.06 -1.75 2.61 2.80 0.00 -0.43 -5.06 105.19 102.30 1m9l n GLY 197 Ca -0.01 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1m9l n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93