#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c9k s ILE 2 N 0.00 1.35 -0.17 3.17 1.01 -0.02 0.46 121.20 127.00 1c9k s ILE 2 Ca 0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 60.65 60.00 1c9k s ILE 2 Cb 0.00 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.21 1c9k s ILE 2 CO 0.00 0.41 0.01 -0.22 0.00 0.00 0.00 174.94 175.14 1c9k s LEU 3 N 0.73 3.51 -0.15 2.97 2.96 -0.81 -0.04 118.68 127.85 1c9k s LEU 3 Ca -0.13 -0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.74 1c9k s LEU 3 Cb -0.16 -1.87 0.03 0.00 0.50 0.00 0.00 46.19 44.69 1c9k s LEU 3 CO 0.03 0.15 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.40 1c9k s VAL 4 N 0.47 1.44 0.33 1.68 1.01 -0.49 -1.58 120.40 123.25 1c9k s VAL 4 Ca -0.00 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.44 1c9k s VAL 4 Cb -0.13 -1.40 -0.07 0.00 0.00 0.00 0.00 36.38 34.78 1c9k s VAL 4 CO 0.02 0.39 -0.00 0.28 0.00 0.00 0.00 175.10 175.79 1c9k s THR 5 N 1.53 1.59 -4.89 3.92 -1.32 -0.25 -1.69 115.64 114.53 1c9k s THR 5 Ca 0.04 -2.06 0.00 0.00 -1.21 0.00 0.00 61.69 58.46 1c9k s THR 5 Cb -0.13 -2.71 0.00 0.00 -1.51 0.00 0.00 72.50 68.15 1c9k s THR 5 CO -0.10 -0.12 0.00 0.61 -2.21 0.00 0.00 174.62 172.80 1c9k n GLY 6 N -0.72 -2.74 3.97 6.08 0.00 -1.24 -0.75 105.19 109.80 1c9k n GLY 6 Ca -0.04 -1.31 -0.26 0.00 0.00 0.00 0.00 46.02 44.41 1c9k n GLY 6 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1c9k s GLY 7 N 0.00 1.77 -0.06 -0.02 0.00 -1.26 0.17 107.32 107.91 1c9k s GLY 7 Ca 0.00 -1.57 -0.29 0.00 0.00 0.00 0.00 44.72 42.86 1c9k s GLY 7 CO 0.00 -0.93 2.04 0.00 0.00 0.00 0.00 173.10 174.22 1c9k s ALA 8 N -3.40 3.28 -0.86 3.20 0.00 -1.26 -2.18 121.76 120.54 1c9k s ALA 8 Ca 0.69 1.11 -0.04 0.00 0.00 0.00 0.00 51.96 53.72 1c9k s ALA 8 Cb -0.05 -3.93 0.00 0.00 0.00 0.00 0.00 23.12 19.15 1c9k s ALA 8 CO 0.47 -2.01 0.74 0.54 0.00 0.00 0.00 175.76 175.50 1c9k n ARG 9 N 7.97 -4.96 0.00 0.00 5.12 -1.26 -4.94 116.66 118.58 1c9k n ARG 9 Ca 0.23 0.55 0.12 0.00 -1.93 0.00 0.00 57.85 56.82 1c9k n ARG 9 Cb 0.43 -4.71 0.22 0.00 -1.16 0.00 0.00 32.46 27.23 1c9k n ARG 9 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1c9k n SER 10 N -1.73 1.86 -0.03 0.55 3.41 -0.93 -4.85 113.62 111.90 1c9k n SER 10 Ca -0.05 -1.44 -0.00 0.00 -0.26 0.00 0.00 58.87 57.11 1c9k n SER 10 Cb 0.56 0.20 -0.00 0.00 -0.26 0.00 0.00 64.21 64.71 1c9k n SER 10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c9k n GLY 11 N 1.34 0.37 0.14 5.00 0.00 -1.26 0.15 105.19 110.93 1c9k n GLY 11 Ca 0.13 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 1c9k n GLY 11 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1c9k h LYS 12 N 0.00 0.26 -0.05 1.61 2.10 -1.90 -2.56 116.57 116.03 1c9k h LYS 12 Ca -0.01 -0.28 -0.00 0.00 -2.00 0.00 0.00 60.65 58.36 1c9k h LYS 12 Cb 0.67 0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 32.07 1c9k h LYS 12 CO 0.01 0.99 0.02 0.77 -2.00 0.00 0.00 179.45 179.24 1c9k h SER 13 N 0.15 0.07 -0.84 7.07 0.02 -1.97 0.24 113.55 118.30 1c9k h SER 13 Ca -0.05 -0.15 0.02 0.00 -0.84 0.00 0.00 61.79 60.76 1c9k h SER 13 Cb 1.51 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.99 1c9k h SER 13 CO 0.14 0.21 0.55 -0.09 -1.14 0.00 0.00 176.83 176.50 1c9k h ARG 14 N -0.06 1.08 -0.60 3.45 9.65 -1.98 0.21 114.38 126.14 1c9k h ARG 14 Ca 0.02 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1c9k h ARG 14 Cb 0.16 -0.24 -0.03 0.00 -1.39 0.00 0.00 29.97 28.46 1c9k h ARG 14 CO -0.00 0.72 0.35 1.25 2.80 0.00 0.00 179.97 185.08 1c9k h HIS 15 N 1.12 0.80 0.39 2.20 2.76 -1.11 -0.96 115.15 120.35 1c9k h HIS 15 Ca 0.32 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.47 1c9k h HIS 15 Cb -0.09 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.60 1c9k h HIS 15 CO -0.02 0.56 -0.27 0.00 -1.30 0.00 0.00 177.93 176.91 1c9k h ALA 16 N 1.17 -0.64 -0.50 5.26 0.00 0.11 -0.35 119.26 124.31 1c9k h ALA 16 Ca 0.21 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 55.15 1c9k h ALA 16 Cb 0.01 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1c9k h ALA 16 CO -0.04 -0.88 0.41 0.93 0.00 0.00 0.00 179.25 179.68 1c9k h GLU 17 N -0.64 0.00 -0.03 0.00 5.08 -0.48 0.62 114.58 119.12 1c9k h GLU 17 Ca -0.04 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.17 1c9k h GLU 17 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1c9k h GLU 17 CO 0.02 0.00 -0.67 0.00 -1.00 0.00 0.00 179.01 177.36 1c9k h ALA 18 N 1.64 0.82 -0.09 3.43 0.00 0.30 -2.82 119.26 122.54 1c9k h ALA 18 Ca 0.24 -0.59 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 1c9k h ALA 18 Cb 1.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1c9k h ALA 18 CO -0.00 0.79 -0.66 -0.07 0.00 0.00 0.00 179.25 179.31 1c9k h LEU 19 N 0.10 0.40 -0.10 0.00 3.38 0.15 -3.17 115.31 116.07 1c9k h LEU 19 Ca -0.01 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.75 1c9k h LEU 19 Cb 1.20 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 1c9k h LEU 19 CO 0.10 0.94 -0.18 0.40 0.09 0.00 0.00 178.44 179.80 1c9k h ILE 20 N 0.25 0.55 0.00 1.22 1.08 -1.14 -3.48 117.51 115.99 1c9k h ILE 20 Ca -0.02 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 1c9k h ILE 20 Cb 1.20 0.55 0.00 0.00 -3.07 0.00 0.00 36.82 35.50 1c9k h ILE 20 CO 0.11 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.18 1c9k n GLY 21 N -1.32 0.64 1.69 5.37 0.00 -1.08 -3.72 105.19 106.76 1c9k n GLY 21 Ca -0.03 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 1c9k n GLY 21 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1c9k n ASP 22 N 0.84 4.85 -4.58 1.61 5.68 -1.26 -4.88 116.55 118.81 1c9k n ASP 22 Ca 0.00 -2.84 -0.41 0.00 -0.50 0.00 0.00 54.79 51.04 1c9k n ASP 22 Cb 0.00 -0.86 -0.03 0.00 -1.14 0.00 0.00 41.12 39.09 1c9k n ASP 22 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1c9k s ALA 23 N -1.52 2.36 0.18 2.12 0.00 -1.24 -4.81 121.76 118.84 1c9k s ALA 23 Ca 0.26 0.44 -0.28 0.00 0.00 0.00 0.00 51.96 52.38 1c9k s ALA 23 Cb 0.21 -4.17 0.01 0.00 0.00 0.00 0.00 23.12 19.17 1c9k s ALA 23 CO 0.02 -3.37 1.55 -1.35 0.00 0.00 0.00 175.76 172.61 1c9k h PRO 24 N 16.38 -0.04 -5.17 0.00 0.11 -1.90 -3.38 132.00 138.00 1c9k h PRO 24 Ca -0.34 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.10 1c9k h PRO 24 Cb 1.24 0.01 -0.34 0.00 0.11 0.00 0.00 31.00 32.02 1c9k h PRO 24 CO 1.04 -0.03 -0.87 1.14 -0.21 0.00 0.00 178.00 179.08 1c9k s GLN 25 N -5.64 3.02 -0.03 1.05 1.03 -1.26 -4.79 119.66 113.03 1c9k s GLN 25 Ca -0.13 -0.85 0.02 0.00 0.04 0.00 0.00 55.36 54.45 1c9k s GLN 25 Cb 0.13 -2.47 0.01 0.00 0.03 0.00 0.00 33.01 30.71 1c9k s GLN 25 CO 0.65 -0.06 -0.09 0.08 -2.54 0.00 0.00 175.29 173.32 1c9k s VAL 26 N 0.92 0.82 -0.17 3.63 1.01 -1.05 -1.90 120.40 123.67 1c9k s VAL 26 Ca -0.04 -0.36 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 1c9k s VAL 26 Cb -0.15 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 1c9k s VAL 26 CO -0.04 0.26 -0.03 -0.22 0.00 0.00 0.00 175.10 175.07 1c9k s LEU 27 N 0.33 3.21 -0.38 3.92 2.96 -0.18 -1.43 118.68 127.11 1c9k s LEU 27 Ca -0.06 -0.17 -0.11 0.00 -0.22 0.00 0.00 54.13 53.58 1c9k s LEU 27 Cb -0.10 -1.78 0.03 0.00 0.50 0.00 0.00 46.19 44.84 1c9k s LEU 27 CO 0.01 0.14 0.21 -0.47 -1.32 0.00 0.00 176.35 174.91 1c9k s TYR 28 N 0.56 3.25 -0.56 5.38 6.14 0.11 -1.10 117.35 131.12 1c9k s TYR 28 Ca -0.03 -1.02 -0.17 0.00 0.64 0.00 0.00 57.07 56.49 1c9k s TYR 28 Cb -0.14 -2.47 0.12 0.00 0.42 0.00 0.00 41.96 39.88 1c9k s TYR 28 CO 0.03 -0.67 0.59 0.42 0.64 0.00 0.00 175.55 176.56 1c9k s ILE 29 N 1.54 5.04 -0.48 3.14 1.01 -0.72 0.79 121.20 131.51 1c9k s ILE 29 Ca 0.02 -1.28 -0.20 0.00 0.00 0.00 0.00 60.65 59.18 1c9k s ILE 29 Cb -0.19 -4.41 0.04 0.00 0.01 0.00 0.00 42.46 37.91 1c9k s ILE 29 CO 0.06 -0.98 0.68 0.00 0.00 0.00 0.00 174.94 174.70 1c9k s ALA 30 N 2.07 3.34 -1.23 9.38 0.00 -0.88 -1.01 121.76 133.43 1c9k s ALA 30 Ca 0.07 -1.45 0.28 0.00 0.00 0.00 0.00 51.96 50.86 1c9k s ALA 30 Cb -0.27 -3.38 1.10 0.00 0.00 0.00 0.00 23.12 20.56 1c9k s ALA 30 CO 0.04 -1.97 1.81 0.25 0.00 0.00 0.00 175.76 175.89 1c9k n THR 31 N 5.79 0.00 -2.34 0.00 -2.24 -0.80 -2.98 114.28 111.71 1c9k n THR 31 Ca -0.03 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.31 1c9k n THR 31 Cb 0.47 -0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.45 1c9k n THR 31 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1c9k s SER 32 N -2.80 6.98 -0.04 3.42 1.04 -1.26 -4.62 113.70 116.41 1c9k s SER 32 Ca 0.19 2.06 -0.30 0.00 0.48 0.00 0.00 55.95 58.38 1c9k s SER 32 Cb 0.19 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.71 1c9k s SER 32 CO 0.54 -0.58 1.05 -1.10 0.98 0.00 0.00 173.24 174.13 1c9k s GLN 33 N 1.56 4.46 0.79 4.02 -0.21 -1.26 -5.00 119.66 124.02 1c9k s GLN 33 Ca 0.60 1.48 -0.08 0.00 0.02 0.00 0.00 55.36 57.39 1c9k s GLN 33 Cb -0.30 -3.49 0.12 0.00 1.00 0.00 0.00 33.01 30.33 1c9k s GLN 33 CO 0.28 -0.23 1.10 0.42 -2.12 0.00 0.00 175.29 174.73 1c9k s ILE 34 N 1.58 2.15 0.00 1.08 1.01 -1.26 -5.20 121.20 120.56 1c9k s ILE 34 Ca 0.52 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.88 1c9k s ILE 34 Cb -0.21 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.39 1c9k s ILE 34 CO 0.23 0.00 0.00 0.00 0.00 0.00 0.00 174.94 175.17 1c9k n ALA 41 N -3.15 0.00 -0.18 9.38 0.00 -1.26 -5.28 120.51 120.02 1c9k n ALA 41 Ca 0.12 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.78 1c9k n ALA 41 Cb 0.60 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.65 1c9k n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c9k h ARG 42 N 0.00 0.22 0.08 0.00 2.47 -2.06 0.81 114.38 115.91 1c9k h ARG 42 Ca 0.00 -0.01 -0.25 0.00 -1.26 0.00 0.00 59.98 58.45 1c9k h ARG 42 Cb 0.00 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.27 1c9k h ARG 42 CO 0.00 0.15 -1.14 0.82 0.56 0.00 0.00 179.97 180.36 1c9k h ILE 43 N 0.23 1.52 -0.75 2.04 1.08 -2.03 -3.29 117.51 116.31 1c9k h ILE 43 Ca 0.41 -3.01 0.17 0.00 -0.39 0.00 0.00 64.86 62.04 1c9k h ILE 43 Cb 1.25 2.83 -0.12 0.00 -3.07 0.00 0.00 36.82 37.72 1c9k h ILE 43 CO -0.10 0.88 0.15 1.56 -0.69 0.00 0.00 178.15 179.96 1c9k h GLN 44 N 0.08 0.23 -0.03 2.37 7.50 0.19 -1.72 115.11 123.73 1c9k h GLN 44 Ca -0.10 -0.01 -0.18 0.00 0.50 0.00 0.00 58.65 58.86 1c9k h GLN 44 Cb 1.85 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 29.32 1c9k h GLN 44 CO 0.18 0.15 -0.77 1.12 -1.50 0.00 0.00 178.83 178.01 1c9k h HIS 45 N 0.23 0.31 -0.21 2.96 -0.00 -1.61 -2.59 115.15 114.24 1c9k h HIS 45 Ca 0.43 -0.15 0.05 0.00 -0.00 0.00 0.00 60.37 60.69 1c9k h HIS 45 Cb 0.75 -0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 28.07 1c9k h HIS 45 CO -0.29 0.90 -0.08 1.12 -0.00 0.00 0.00 177.93 179.59 1c9k h HIS 46 N 0.14 -0.17 0.38 6.12 -0.00 -1.39 -0.66 115.15 119.57 1c9k h HIS 46 Ca -0.03 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1c9k h HIS 46 Cb 1.35 0.11 -0.03 0.00 -0.00 0.00 0.00 27.41 28.84 1c9k h HIS 46 CO 0.03 -0.12 -0.45 0.87 -0.00 0.00 0.00 177.93 178.25 1c9k h LYS 47 N -0.04 -0.83 -1.43 5.12 1.57 -1.51 -2.54 116.57 116.91 1c9k h LYS 47 Ca 0.11 0.06 0.47 0.00 -1.87 0.00 0.00 60.65 59.42 1c9k h LYS 47 Cb 0.20 0.19 -0.13 0.00 0.08 0.00 0.00 32.23 32.57 1c9k h LYS 47 CO -0.24 -0.55 0.93 -0.44 -0.57 0.00 0.00 179.45 178.58 1c9k h ASP 48 N -0.86 0.19 -0.69 0.86 3.45 -0.86 0.98 116.42 119.49 1c9k h ASP 48 Ca -0.03 0.13 -0.24 0.00 0.43 0.00 0.00 57.03 57.31 1c9k h ASP 48 Cb 0.78 0.13 -0.15 0.00 -0.56 0.00 0.00 39.33 39.53 1c9k h ASP 48 CO -0.11 -0.20 0.27 0.61 -1.57 0.00 0.00 179.24 178.24 1c9k n GLY 49 N -1.57 4.03 3.41 2.75 0.00 -0.36 -4.91 105.19 108.54 1c9k n GLY 49 Ca 0.40 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 1c9k n GLY 49 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1c9k s ARG 50 N -3.07 3.55 1.02 1.61 3.52 0.34 -5.04 118.95 120.87 1c9k s ARG 50 Ca 0.53 -0.55 -0.18 0.00 -0.13 0.00 0.00 55.73 55.40 1c9k s ARG 50 Cb 0.43 -3.06 -0.01 0.00 -1.56 0.00 0.00 34.95 30.76 1c9k s ARG 50 CO 0.11 -0.05 -0.24 -0.35 -0.81 0.00 0.00 175.30 173.96 1c9k n PRO 51 N 4.40 -0.62 -0.08 5.12 -0.04 -1.26 -4.94 135.00 137.58 1c9k n PRO 51 Ca -0.17 -0.16 -0.14 0.00 -0.04 0.00 0.00 63.50 62.98 1c9k n PRO 51 Cb 0.52 -1.52 -0.05 0.00 -0.04 0.00 0.00 33.50 32.41 1c9k n PRO 51 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1c9k h ALA 52 N -1.54 0.42 -0.24 0.55 0.00 -1.98 -3.22 119.26 113.24 1c9k h ALA 52 Ca -0.46 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 53.93 1c9k h ALA 52 Cb 1.33 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1c9k h ALA 52 CO 0.32 0.54 0.07 -2.39 0.00 0.00 0.00 179.25 177.79 1c9k n HIS 53 N -4.15 0.79 -4.08 0.00 1.44 -1.26 -4.72 115.22 103.25 1c9k n HIS 53 Ca -0.05 -0.48 -0.32 0.00 -2.01 0.00 0.00 57.72 54.87 1c9k n HIS 53 Cb 0.56 -0.32 -0.16 0.00 0.12 0.00 0.00 29.99 30.19 1c9k n HIS 53 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1c9k s TRP 54 N -1.40 2.76 0.12 -1.40 0.52 -1.22 -2.52 118.94 115.80 1c9k s TRP 54 Ca 0.18 -1.74 0.01 0.00 0.02 0.00 0.00 56.10 54.57 1c9k s TRP 54 Cb 0.14 -1.84 -0.04 0.00 -1.15 0.00 0.00 33.47 30.58 1c9k s TRP 54 CO 0.05 -0.80 0.27 -0.98 0.02 0.00 0.00 176.95 175.51 1c9k s ARG 55 N 1.29 3.46 -0.12 4.98 1.70 -0.51 -4.87 118.95 124.87 1c9k s ARG 55 Ca 0.01 -0.49 0.00 0.00 -0.47 0.00 0.00 55.73 54.79 1c9k s ARG 55 Cb -0.15 -2.98 -0.02 0.00 -0.57 0.00 0.00 34.95 31.24 1c9k s ARG 55 CO -0.10 0.54 -0.14 0.99 -1.08 0.00 0.00 175.30 175.51 1c9k s THR 56 N -1.66 3.00 -0.31 4.99 2.01 -1.26 0.04 115.64 122.45 1c9k s THR 56 Ca 0.35 -0.69 -0.01 0.00 0.31 0.00 0.00 61.69 61.65 1c9k s THR 56 Cb -0.12 -2.24 0.06 0.00 0.01 0.00 0.00 72.50 70.21 1c9k s THR 56 CO 0.28 0.53 0.02 0.00 -0.69 0.00 0.00 174.62 174.77 1c9k s ALA 57 N 0.23 2.84 -1.06 7.40 0.00 0.24 -4.94 121.76 126.47 1c9k s ALA 57 Ca -0.09 -1.90 -0.21 0.00 0.00 0.00 0.00 51.96 49.76 1c9k s ALA 57 Cb -0.15 -1.97 0.08 0.00 0.00 0.00 0.00 23.12 21.07 1c9k s ALA 57 CO 0.05 -1.36 1.44 -1.21 0.00 0.00 0.00 175.76 174.68 1c9k s GLU 58 N 1.21 3.69 -0.02 0.00 2.02 -1.26 -2.06 118.70 122.28 1c9k s GLU 58 Ca -0.03 -1.48 -0.23 0.00 0.02 0.00 0.00 54.97 53.25 1c9k s GLU 58 Cb -0.20 -5.29 0.05 0.00 0.10 0.00 0.00 34.13 28.79 1c9k s GLU 58 CO -0.02 -2.11 0.49 0.00 0.02 0.00 0.00 175.26 173.64 1c9k n TRP 60 N 0.99 0.00 -3.98 0.00 4.27 -1.26 -4.20 117.44 113.26 1c9k n TRP 60 Ca -0.20 -0.46 -0.09 0.00 -3.89 0.00 0.00 57.50 52.86 1c9k n TRP 60 Cb 0.57 -0.09 -0.11 0.00 -1.36 0.00 0.00 31.31 30.32 1c9k n TRP 60 CO 0.00 0.00 0.00 1.03 -2.29 0.00 0.00 177.69 176.43 1c9k s ARG 61 N -1.32 0.32 -0.83 -2.67 0.52 -1.26 -4.95 118.95 108.76 1c9k s ARG 61 Ca 0.14 -0.62 -0.01 0.00 -0.52 0.00 0.00 55.73 54.72 1c9k s ARG 61 Cb 0.13 0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.71 1c9k s ARG 61 CO 0.01 -0.05 0.61 0.72 0.02 0.00 0.00 175.30 176.61 1c9k n HIS 62 N 1.57 -2.05 0.19 -0.53 8.25 -1.26 -4.83 115.22 116.56 1c9k n HIS 62 Ca -0.24 0.83 0.08 0.00 -0.26 0.00 0.00 57.72 58.13 1c9k n HIS 62 Cb 0.55 -2.81 0.22 0.00 1.12 0.00 0.00 29.99 29.08 1c9k n HIS 62 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1c9k h LEU 63 N -0.32 0.00 -2.45 2.41 3.38 -1.93 -1.63 115.31 114.77 1c9k h LEU 63 Ca -0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1c9k h LEU 63 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1c9k h LEU 63 CO 0.37 0.25 0.02 -2.24 0.09 0.00 0.00 178.44 176.93 1c9k h ASP 64 N 0.00 0.00 1.34 -0.43 -0.00 -1.88 1.23 116.42 116.69 1c9k h ASP 64 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1c9k h ASP 64 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.38 1c9k h ASP 64 CO 0.03 0.00 0.00 0.74 -0.00 0.00 0.00 179.24 180.01 1c9k h THR 65 N 0.00 0.00 0.00 1.15 2.02 -1.64 -3.33 112.91 111.11 1c9k h THR 65 Ca 0.00 -0.51 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 1c9k h THR 65 Cb 0.03 1.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1c9k h THR 65 CO 0.00 0.00 -1.08 0.18 0.37 0.00 0.00 175.52 174.99 1c9k n LEU 66 N -2.48 0.00 -4.39 2.58 4.77 0.31 -4.83 117.00 112.97 1c9k n LEU 66 Ca 0.04 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.57 1c9k n LEU 66 Cb 0.39 0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.49 1c9k n LEU 66 CO 0.28 0.03 0.88 -0.63 -1.33 0.00 0.00 177.39 176.62 1c9k s ILE 67 N -2.03 5.36 0.16 -0.08 1.01 0.34 -5.00 121.20 120.96 1c9k s ILE 67 Ca -0.01 -2.53 -0.03 0.00 0.00 0.00 0.00 60.65 58.08 1c9k s ILE 67 Cb 0.00 -4.69 -0.05 0.00 0.01 0.00 0.00 42.46 37.74 1c9k s ILE 67 CO 0.05 -1.33 0.37 -0.89 0.00 0.00 0.00 174.94 173.14 1c9k s THR 68 N 0.76 5.19 0.28 2.92 2.01 -1.26 -4.69 115.64 120.85 1c9k s THR 68 Ca 0.31 -0.09 0.23 0.00 0.31 0.00 0.00 61.69 62.45 1c9k s THR 68 Cb -0.07 -3.65 0.22 0.00 0.01 0.00 0.00 72.50 69.01 1c9k s THR 68 CO -0.07 -0.02 1.91 0.00 -0.69 0.00 0.00 174.62 175.75 1c9k h ALA 69 N 2.61 1.16 0.00 7.40 0.00 -1.91 -2.51 119.26 126.01 1c9k h ALA 69 Ca -0.46 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1c9k h ALA 69 Cb 1.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1c9k h ALA 69 CO 0.72 0.29 -0.30 0.38 0.00 0.00 0.00 179.25 180.33 1c9k h ASP 70 N 0.00 0.00 -2.09 0.00 2.03 -1.95 -3.38 116.42 111.02 1c9k h ASP 70 Ca -0.00 -0.06 -0.63 0.00 -0.73 0.00 0.00 57.03 55.60 1c9k h ASP 70 Cb 0.60 0.00 0.09 0.00 -0.83 0.00 0.00 39.33 39.19 1c9k h ASP 70 CO 0.03 0.03 0.27 0.18 -1.03 0.00 0.00 179.24 178.72 1c9k n LEU 71 N -2.45 1.69 -4.69 0.15 7.99 -0.94 -4.90 117.00 113.84 1c9k n LEU 71 Ca 0.04 1.15 -0.42 0.00 -0.01 0.00 0.00 56.01 56.77 1c9k n LEU 71 Cb 0.47 -1.25 -0.03 0.00 -0.11 0.00 0.00 43.42 42.51 1c9k n LEU 71 CO 0.34 -1.26 1.14 0.00 -1.51 0.00 0.00 177.39 176.10 1c9k s ALA 72 N -0.34 3.60 0.23 -1.18 0.00 -1.26 -3.80 121.76 119.01 1c9k s ALA 72 Ca 0.70 0.99 -0.09 0.00 0.00 0.00 0.00 51.96 53.56 1c9k s ALA 72 Cb -0.81 -3.60 0.37 0.00 0.00 0.00 0.00 23.12 19.09 1c9k s ALA 72 CO 0.53 -0.88 1.64 -1.00 0.00 0.00 0.00 175.76 176.05 1c9k h PRO 73 N 7.69 0.08 0.00 0.00 0.13 -1.91 0.45 132.00 138.44 1c9k h PRO 73 Ca -0.40 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1c9k h PRO 73 Cb 1.19 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1c9k h PRO 73 CO 0.90 0.05 0.00 -0.25 -0.23 0.00 0.00 178.00 178.47 1c9k n ASP 74 N -5.36 0.00 -4.94 1.44 8.00 -1.26 -3.64 116.55 110.79 1c9k n ASP 74 Ca 0.12 -0.58 -0.20 0.00 0.71 0.00 0.00 54.79 54.83 1c9k n ASP 74 Cb 0.42 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.50 1c9k n ASP 74 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1c9k s ASP 75 N -2.00 5.94 0.10 -2.24 -0.00 0.16 -4.41 116.67 114.22 1c9k s ASP 75 Ca 0.28 -0.14 -0.01 0.00 -0.00 0.00 0.00 52.55 52.67 1c9k s ASP 75 Cb 0.13 -1.45 -0.04 0.00 -0.00 0.00 0.00 42.92 41.55 1c9k s ASP 75 CO 0.21 -0.23 0.03 0.00 -0.00 0.00 0.00 175.17 175.18 1c9k s ALA 76 N -2.11 0.68 -0.03 5.23 0.00 -0.80 -1.22 121.76 123.51 1c9k s ALA 76 Ca 0.39 -1.34 0.05 0.00 0.00 0.00 0.00 51.96 51.06 1c9k s ALA 76 Cb -0.09 0.63 -0.01 0.00 0.00 0.00 0.00 23.12 23.66 1c9k s ALA 76 CO 0.29 -0.45 -0.20 0.42 0.00 0.00 0.00 175.76 175.82 1c9k s ILE 77 N -3.99 1.58 -0.22 0.00 1.01 0.34 -1.01 121.20 118.91 1c9k s ILE 77 Ca 0.17 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 60.00 1c9k s ILE 77 Cb 0.07 -1.33 0.05 0.00 0.01 0.00 0.00 42.46 41.26 1c9k s ILE 77 CO -0.03 0.45 -0.09 -0.22 0.00 0.00 0.00 174.94 175.05 1c9k s LEU 78 N -0.25 2.57 -0.19 2.97 0.20 -0.26 -1.36 118.68 122.36 1c9k s LEU 78 Ca 0.02 -1.06 -0.09 0.00 0.69 0.00 0.00 54.13 53.69 1c9k s LEU 78 Cb -0.10 -1.27 -0.05 0.00 -0.43 0.00 0.00 46.19 44.34 1c9k s LEU 78 CO 0.01 -0.18 0.11 -0.22 -0.29 0.00 0.00 176.35 175.78 1c9k s LEU 79 N 1.34 4.08 -0.22 -0.68 0.20 0.28 -1.75 118.68 121.93 1c9k s LEU 79 Ca -0.04 0.18 -0.03 0.00 0.69 0.00 0.00 54.13 54.93 1c9k s LEU 79 Cb -0.18 -2.05 0.11 0.00 -0.43 0.00 0.00 46.19 43.65 1c9k s LEU 79 CO -0.07 0.18 0.29 -0.70 -0.29 0.00 0.00 176.35 175.76 1c9k s GLU 80 N 0.37 0.26 0.11 1.98 2.12 -0.18 -0.50 118.70 122.87 1c9k s GLU 80 Ca 0.06 0.33 -0.02 0.00 0.36 0.00 0.00 54.97 55.70 1c9k s GLU 80 Cb -0.11 -0.89 -0.03 0.00 0.26 0.00 0.00 34.13 33.35 1c9k s GLU 80 CO -0.01 -0.66 0.07 0.00 -0.54 0.00 0.00 175.26 174.11 1c9k h ILE 82 N 2.90 0.86 -0.55 0.00 1.08 -0.48 -2.62 117.51 118.70 1c9k h ILE 82 Ca -0.34 -0.20 -0.04 0.00 -0.39 0.00 0.00 64.86 63.89 1c9k h ILE 82 Cb 1.19 0.24 -0.03 0.00 -3.07 0.00 0.00 36.82 35.15 1c9k h ILE 82 CO 0.60 0.10 0.19 0.71 -0.69 0.00 0.00 178.15 179.06 1c9k h THR 83 N 0.57 1.21 0.17 -0.27 1.35 -1.94 -1.34 112.91 112.66 1c9k h THR 83 Ca 0.32 -0.70 -0.01 0.00 -0.55 0.00 0.00 66.41 65.47 1c9k h THR 83 Cb 0.33 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 67.34 1c9k h THR 83 CO -0.25 0.27 -0.08 0.74 -0.25 0.00 0.00 175.52 175.94 1c9k h THR 84 N 0.80 0.90 -0.86 6.82 2.02 -1.91 -0.39 112.91 120.29 1c9k h THR 84 Ca 0.19 -0.32 0.14 0.00 0.77 0.00 0.00 66.41 67.18 1c9k h THR 84 Cb 0.21 1.10 -0.09 0.00 -1.74 0.00 0.00 68.15 67.62 1c9k h THR 84 CO -0.01 0.08 0.45 -0.03 0.37 0.00 0.00 175.52 176.38 1c9k h MET 85 N -0.39 0.64 0.28 6.66 -1.53 -1.08 0.15 114.93 119.66 1c9k h MET 85 Ca -0.02 -0.04 -0.01 0.00 -3.44 0.00 0.00 59.70 56.19 1c9k h MET 85 Cb 0.30 -0.14 -0.00 0.00 -0.55 0.00 0.00 31.60 31.21 1c9k h MET 85 CO 0.04 0.42 -0.17 0.28 0.14 0.00 0.00 176.91 177.62 1c9k h VAL 86 N 0.66 0.63 -0.32 -5.77 2.07 -0.97 -0.28 116.25 112.28 1c9k h VAL 86 Ca 0.46 0.00 0.07 0.00 0.82 0.00 0.00 66.70 68.05 1c9k h VAL 86 Cb 0.62 0.63 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 1c9k h VAL 86 CO -0.34 0.00 -0.13 0.74 0.02 0.00 0.00 177.57 177.85 1c9k h THR 87 N -0.44 0.57 -0.61 2.57 2.02 0.53 -0.41 112.91 117.15 1c9k h THR 87 Ca -0.03 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1c9k h THR 87 Cb 0.37 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 1c9k h THR 87 CO 0.03 0.00 0.31 0.78 0.37 0.00 0.00 175.52 177.01 1c9k h ASN 88 N -0.07 0.76 0.07 4.18 2.35 -0.85 -1.70 115.58 120.32 1c9k h ASN 88 Ca 0.16 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1c9k h ASN 88 Cb 0.32 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 1c9k h ASN 88 CO -0.37 0.63 -0.04 -0.07 -1.65 0.00 0.00 177.43 175.93 1c9k h LEU 89 N 0.85 -0.10 -0.35 1.61 3.38 0.55 0.17 115.31 121.42 1c9k h LEU 89 Ca 0.21 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.23 1c9k h LEU 89 Cb 0.06 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1c9k h LEU 89 CO -0.03 -0.07 0.12 -0.07 0.09 0.00 0.00 178.44 178.48 1c9k h LEU 90 N -0.11 0.14 -1.96 1.67 3.38 -1.02 0.16 115.31 117.57 1c9k h LEU 90 Ca -0.01 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1c9k h LEU 90 Cb 0.09 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1c9k h LEU 90 CO 0.01 0.12 -0.10 -0.26 0.09 0.00 0.00 178.44 178.29 1c9k h PHE 91 N 0.27 0.00 0.53 1.13 -1.00 -1.06 -2.78 116.94 114.04 1c9k h PHE 91 Ca 0.16 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.91 1c9k h PHE 91 Cb 0.13 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.69 1c9k h PHE 91 CO -0.14 0.10 -0.25 0.00 -1.61 0.00 0.00 178.31 176.41 1c9k h ALA 92 N 1.90 -0.71 -0.92 2.45 0.00 0.13 -3.51 119.26 118.60 1c9k h ALA 92 Ca -0.00 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1c9k h ALA 92 Cb 0.32 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1c9k h ALA 92 CO 0.01 -0.69 0.61 -0.07 0.00 0.00 0.00 179.25 179.12 1c9k h LEU 93 N -1.13 1.05 -8.61 0.00 3.38 -1.00 -3.51 115.31 105.49 1c9k h LEU 93 Ca -0.07 -0.02 -0.74 0.00 0.09 0.00 0.00 57.88 57.13 1c9k h LEU 93 Cb 0.59 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1c9k h LEU 93 CO 0.12 0.75 1.17 -0.67 0.09 0.00 0.00 178.44 179.90 1c9k n ASP 98 N -4.40 1.73 0.03 -0.43 2.03 -1.26 -5.02 116.55 109.22 1c9k n ASP 98 Ca 0.11 0.76 0.00 0.00 0.52 0.00 0.00 54.79 56.18 1c9k n ASP 98 Cb 0.04 -1.09 0.00 0.00 -0.72 0.00 0.00 41.12 39.35 1c9k n ASP 98 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1c9k n PRO 99 N 6.77 0.00 -0.01 -0.67 -0.02 -1.26 0.71 135.00 140.53 1c9k n PRO 99 Ca 0.40 0.08 -0.21 0.00 -2.02 0.00 0.00 63.50 61.74 1c9k n PRO 99 Cb 0.09 -0.60 -0.14 0.00 -0.02 0.00 0.00 33.50 32.84 1c9k n PRO 99 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1c9k h GLU 100 N 0.00 0.21 -1.36 -0.52 4.81 -2.04 -3.35 114.58 112.34 1c9k h GLU 100 Ca 0.00 -0.37 -0.10 0.00 -0.13 0.00 0.00 59.36 58.76 1c9k h GLU 100 Cb 0.36 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.82 1c9k h GLU 100 CO 0.00 1.17 0.13 0.00 -0.73 0.00 0.00 179.01 179.59 1c9k n GLN 101 N -3.93 1.25 -3.82 1.92 10.64 0.22 -4.87 117.38 118.80 1c9k n GLN 101 Ca -0.27 -0.54 -0.36 0.00 -1.83 0.00 0.00 57.00 54.00 1c9k n GLN 101 Cb 0.89 -1.21 -0.07 0.00 -0.86 0.00 0.00 30.24 28.99 1c9k n GLN 101 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 1c9k s TRP 102 N -0.61 3.49 -1.20 2.61 0.52 -1.25 -4.83 118.94 117.66 1c9k s TRP 102 Ca 0.10 0.41 -0.12 0.00 0.02 0.00 0.00 56.10 56.52 1c9k s TRP 102 Cb 0.09 -2.05 0.20 0.00 -1.15 0.00 0.00 33.47 30.55 1c9k s TRP 102 CO 0.01 0.49 1.46 -3.47 0.02 0.00 0.00 176.95 175.46 1c9k n ASP 103 N 2.81 5.32 -0.33 2.95 4.64 -1.26 -4.87 116.55 125.80 1c9k n ASP 103 Ca -0.18 -3.03 0.05 0.00 -1.38 0.00 0.00 54.79 50.25 1c9k n ASP 103 Cb 0.53 -1.51 0.14 0.00 -1.04 0.00 0.00 41.12 39.24 1c9k n ASP 103 CO 0.00 0.00 0.00 1.88 -0.82 0.00 0.00 177.20 178.26 1c9k h TYR 104 N 6.71 -0.45 -0.91 -0.67 -1.99 -1.97 0.57 116.97 118.26 1c9k h TYR 104 Ca 0.30 0.08 0.13 0.00 2.00 0.00 0.00 58.73 61.25 1c9k h TYR 104 Cb 0.81 0.34 -0.09 0.00 2.00 0.00 0.00 36.73 39.80 1c9k h TYR 104 CO 1.06 -0.40 0.53 0.00 -0.00 0.00 0.00 178.16 179.36 1c9k h ALA 105 N 1.92 1.39 -0.14 3.88 0.00 -1.99 0.14 119.26 124.45 1c9k h ALA 105 Ca 0.45 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 55.26 1c9k h ALA 105 Cb 0.71 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1c9k h ALA 105 CO -0.94 0.05 -0.51 0.00 0.00 0.00 0.00 179.25 177.85 1c9k h ALA 106 N 1.54 0.25 0.24 0.00 0.00 -1.48 -2.77 119.26 117.04 1c9k h ALA 106 Ca 0.48 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1c9k h ALA 106 Cb 0.58 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1c9k h ALA 106 CO -0.31 0.44 -0.23 0.52 0.00 0.00 0.00 179.25 179.67 1c9k h MET 107 N 0.25 -0.48 -0.80 0.00 2.07 0.12 -2.60 114.93 113.48 1c9k h MET 107 Ca -0.02 0.03 0.16 0.00 -2.07 0.00 0.00 59.70 57.80 1c9k h MET 107 Cb 1.14 0.11 -0.10 0.00 -1.87 0.00 0.00 31.60 30.88 1c9k h MET 107 CO 0.11 -0.32 0.34 1.49 1.07 0.00 0.00 176.91 179.59 1c9k h GLU 108 N -0.50 0.45 -0.78 1.72 4.81 -0.83 -0.64 114.58 118.81 1c9k h GLU 108 Ca -0.00 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1c9k h GLU 108 Cb 0.46 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 1c9k h GLU 108 CO -0.05 0.30 0.41 0.00 -0.73 0.00 0.00 179.01 178.94 1c9k h ARG 109 N 0.47 1.09 -0.36 1.92 3.08 -1.18 0.59 114.38 119.99 1c9k h ARG 109 Ca 0.45 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 60.32 1c9k h ARG 109 Cb 0.71 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1c9k h ARG 109 CO -0.42 0.82 0.04 0.00 -1.07 0.00 0.00 179.97 179.33 1c9k h ALA 110 N 1.35 0.48 -0.19 0.04 0.00 -0.80 -1.18 119.26 118.96 1c9k h ALA 110 Ca 0.27 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1c9k h ALA 110 Cb 0.06 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1c9k h ALA 110 CO -0.04 0.21 -0.15 0.82 0.00 0.00 0.00 179.25 180.09 1c9k h ILE 111 N 0.45 0.59 -0.08 0.00 1.08 -0.76 0.11 117.51 118.88 1c9k h ILE 111 Ca 0.11 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.56 1c9k h ILE 111 Cb 0.40 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 34.73 1c9k h ILE 111 CO 0.01 0.00 -0.02 -0.78 -0.69 0.00 0.00 178.15 176.67 1c9k h ASP 112 N -0.15 0.10 -0.94 1.72 3.58 -0.64 -1.31 116.42 118.77 1c9k h ASP 112 Ca 0.11 -0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.58 1c9k h ASP 112 Cb 0.32 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.29 1c9k h ASP 112 CO -0.28 0.15 0.62 0.44 -2.88 0.00 0.00 179.24 177.29 1c9k h ASP 113 N 0.12 1.04 0.67 2.28 3.45 0.46 0.10 116.42 124.54 1c9k h ASP 113 Ca 0.03 -0.01 -0.07 0.00 0.43 0.00 0.00 57.03 57.40 1c9k h ASP 113 Cb 0.13 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.64 1c9k h ASP 113 CO 0.00 0.72 -0.35 -0.08 -1.57 0.00 0.00 179.24 177.97 1c9k h GLU 114 N 1.22 0.00 0.03 3.56 4.57 -0.72 -2.37 114.58 120.86 1c9k h GLU 114 Ca 0.37 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 58.28 1c9k h GLU 114 Cb -0.04 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1c9k h GLU 114 CO -0.11 0.35 -1.07 0.82 -1.18 0.00 0.00 179.01 177.82 1c9k h ILE 115 N 0.00 1.32 -0.62 2.32 1.08 -0.13 -2.37 117.51 119.11 1c9k h ILE 115 Ca -0.00 -2.38 -0.10 0.00 -0.39 0.00 0.00 64.86 61.99 1c9k h ILE 115 Cb 0.78 2.48 -0.02 0.00 -3.07 0.00 0.00 36.82 36.99 1c9k h ILE 115 CO 0.05 0.73 0.01 1.56 -0.69 0.00 0.00 178.15 179.80 1c9k h GLN 116 N 0.31 1.09 0.47 2.37 1.08 -0.72 0.59 115.11 120.30 1c9k h GLN 116 Ca -0.13 -0.34 -0.01 0.00 -1.45 0.00 0.00 58.65 56.72 1c9k h GLN 116 Cb 1.73 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 29.03 1c9k h GLN 116 CO 0.20 1.05 -0.44 0.82 -0.95 0.00 0.00 178.83 179.51 1c9k h ILE 117 N 0.99 0.12 -0.55 2.54 2.04 -1.39 0.48 117.51 121.75 1c9k h ILE 117 Ca 0.18 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.15 1c9k h ILE 117 Cb 0.55 0.12 -0.11 0.00 -0.74 0.00 0.00 36.82 36.64 1c9k h ILE 117 CO 0.03 0.00 -0.18 0.25 0.00 0.00 0.00 178.15 178.25 1c9k h LEU 118 N -0.91 -0.66 0.48 1.44 5.85 -1.25 0.43 115.31 120.69 1c9k h LEU 118 Ca -0.05 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1c9k h LEU 118 Cb 0.80 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1c9k h LEU 118 CO -0.05 -0.22 -0.30 0.40 -0.34 0.00 0.00 178.44 177.93 1c9k h ILE 119 N -0.05 0.38 -0.90 4.05 2.04 0.96 -0.27 117.51 123.72 1c9k h ILE 119 Ca 0.26 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.20 1c9k h ILE 119 Cb 0.45 0.38 -0.07 0.00 -0.74 0.00 0.00 36.82 36.84 1c9k h ILE 119 CO -0.59 0.00 0.55 0.00 0.00 0.00 0.00 178.15 178.11 1c9k h ALA 120 N -0.29 1.27 -0.29 1.87 0.00 0.72 -1.73 119.26 120.81 1c9k h ALA 120 Ca -0.06 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1c9k h ALA 120 Cb 0.62 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 1c9k h ALA 120 CO 0.05 0.25 -0.14 0.00 0.00 0.00 0.00 179.25 179.41 1c9k h ALA 121 N 1.45 0.09 0.00 0.00 0.00 0.25 0.31 119.26 121.36 1c9k h ALA 121 Ca 0.41 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1c9k h ALA 121 Cb 0.27 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1c9k h ALA 121 CO -0.21 -0.54 0.00 0.00 0.00 0.00 0.00 179.25 178.51 1c9k h GLN 123 N 0.00 0.00 0.00 0.00 7.50 0.27 -3.31 115.11 119.57 1c9k h GLN 123 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1c9k h GLN 123 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.73 1c9k h GLN 123 CO 0.00 0.32 0.00 0.54 -1.50 0.00 0.00 178.83 178.19 1c9k n ARG 124 N -3.23 1.99 -3.10 1.46 1.74 -0.82 -4.98 116.66 109.71 1c9k n ARG 124 Ca 0.02 -1.24 -0.40 0.00 -0.77 0.00 0.00 57.85 55.46 1c9k n ARG 124 Cb 0.62 -0.99 -0.05 0.00 -1.02 0.00 0.00 32.46 31.01 1c9k n ARG 124 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1c9k n PRO 126 N 4.56 0.08 -2.44 0.00 -0.02 -1.25 -4.86 135.00 131.07 1c9k n PRO 126 Ca -0.02 -0.01 -0.26 0.00 -2.02 0.00 0.00 63.50 61.20 1c9k n PRO 126 Cb 0.50 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.51 1c9k n PRO 126 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1c9k s ALA 127 N -2.93 3.34 -0.03 3.55 0.00 -1.25 -3.85 121.76 120.60 1c9k s ALA 127 Ca 0.16 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 51.08 1c9k s ALA 127 Cb 0.19 -2.56 -0.05 0.00 0.00 0.00 0.00 23.12 20.70 1c9k s ALA 127 CO 0.53 -0.79 1.43 0.21 0.00 0.00 0.00 175.76 177.15 1c9k s LYS 128 N -4.96 4.26 -0.22 0.00 2.20 -0.35 -4.88 119.74 115.77 1c9k s LYS 128 Ca 0.54 1.97 0.00 0.00 -0.36 0.00 0.00 55.97 58.12 1c9k s LYS 128 Cb -0.10 -3.67 0.03 0.00 -1.51 0.00 0.00 37.83 32.57 1c9k s LYS 128 CO 0.44 -0.64 -0.12 0.08 -0.36 0.00 0.00 175.35 174.75 1c9k s VAL 129 N 2.83 2.45 -0.12 4.02 1.01 -1.26 0.13 120.40 129.46 1c9k s VAL 129 Ca 0.64 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1c9k s VAL 129 Cb -0.31 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1c9k s VAL 129 CO 0.26 0.30 -0.22 -0.69 0.00 0.00 0.00 175.10 174.75 1c9k s VAL 130 N 1.28 2.18 -0.06 2.92 1.01 -0.46 -0.84 120.40 126.42 1c9k s VAL 130 Ca 0.01 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.07 1c9k s VAL 130 Cb -0.16 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 1c9k s VAL 130 CO -0.08 0.55 -0.20 -0.76 0.00 0.00 0.00 175.10 174.61 1c9k s LEU 131 N 0.56 2.36 -0.12 3.92 1.43 0.94 1.00 118.68 128.76 1c9k s LEU 131 Ca -0.13 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.56 1c9k s LEU 131 Cb -0.17 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 1c9k s LEU 131 CO 0.04 0.27 -0.06 -0.69 0.23 0.00 0.00 176.35 176.14 1c9k s VAL 132 N -0.28 3.75 0.30 -1.59 1.01 0.35 -1.40 120.40 122.53 1c9k s VAL 132 Ca 0.01 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.60 1c9k s VAL 132 Cb -0.13 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1c9k s VAL 132 CO 0.03 0.53 0.19 0.28 0.00 0.00 0.00 175.10 176.13 1c9k s THR 133 N -0.04 0.16 0.22 3.92 -1.32 -0.68 0.25 115.64 118.15 1c9k s THR 133 Ca 0.01 -2.00 0.09 0.00 -1.21 0.00 0.00 61.69 58.57 1c9k s THR 133 Cb -0.13 -2.50 -0.05 0.00 -1.51 0.00 0.00 72.50 68.31 1c9k s THR 133 CO 0.03 0.00 -0.15 0.20 -2.21 0.00 0.00 174.62 172.48 1c9k s ASN 134 N -3.34 2.79 -0.13 8.08 -0.87 -1.26 -3.62 114.94 116.58 1c9k s ASN 134 Ca 0.37 -1.03 -0.18 0.00 -1.57 0.00 0.00 52.86 50.46 1c9k s ASN 134 Cb 0.04 -0.17 -0.04 0.00 -0.02 0.00 0.00 41.25 41.06 1c9k s ASN 134 CO 0.20 -0.13 0.48 -1.61 -2.57 0.00 0.00 177.10 173.46 1c9k s GLU 135 N -3.62 4.32 0.00 -0.60 0.41 0.13 -4.73 118.70 114.60 1c9k s GLU 135 Ca 0.24 0.44 0.00 0.00 -0.41 0.00 0.00 54.97 55.24 1c9k s GLU 135 Cb -0.01 -3.45 0.00 0.00 -1.78 0.00 0.00 34.13 28.88 1c9k s GLU 135 CO 0.09 0.12 0.21 1.33 -0.49 0.00 0.00 175.26 176.51 1c9k n VAL 136 N 3.79 0.04 -1.26 2.63 0.24 -1.26 -4.57 118.33 117.94 1c9k n VAL 136 Ca -0.07 -0.10 -0.03 0.00 -2.04 0.00 0.00 64.34 62.10 1c9k n VAL 136 Cb 0.51 1.60 0.22 0.00 -1.47 0.00 0.00 33.84 34.71 1c9k n VAL 136 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1c9k n GLY 137 N -0.02 4.51 1.35 7.63 0.00 -1.26 -4.57 105.19 112.82 1c9k n GLY 137 Ca 0.00 -1.14 0.08 0.00 0.00 0.00 0.00 46.02 44.96 1c9k n GLY 137 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1c9k n MET 138 N -0.87 3.81 -0.94 1.61 1.56 -1.26 -4.94 117.12 116.10 1c9k n MET 138 Ca 0.33 -2.95 0.00 0.00 -0.27 0.00 0.00 57.70 54.81 1c9k n MET 138 Cb 1.09 -2.00 0.00 0.00 2.15 0.00 0.00 33.22 34.46 1c9k n MET 138 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1c9k n GLY 139 N 0.12 5.63 3.85 -5.12 0.00 -1.26 -5.14 105.19 103.27 1c9k n GLY 139 Ca 0.24 -2.12 -0.31 0.00 0.00 0.00 0.00 46.02 43.83 1c9k n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c9k s ILE 140 N 0.17 4.40 -0.01 -0.61 1.09 -1.26 -5.00 121.20 119.98 1c9k s ILE 140 Ca 0.00 0.78 -0.30 0.00 -1.10 0.00 0.00 60.65 60.03 1c9k s ILE 140 Cb 0.00 -3.66 -0.05 0.00 -1.06 0.00 0.00 42.46 37.68 1c9k s ILE 140 CO 0.00 -1.02 1.42 -0.69 -0.10 0.00 0.00 174.94 174.55 1c9k s VAL 141 N -3.12 3.71 0.42 2.92 1.01 -1.26 -4.96 120.40 119.11 1c9k s VAL 141 Ca 0.56 1.07 -0.24 0.00 0.00 0.00 0.00 61.98 63.37 1c9k s VAL 141 Cb -0.12 -3.69 -0.08 0.00 0.00 0.00 0.00 36.38 32.49 1c9k s VAL 141 CO 0.54 -0.01 1.13 -2.84 0.00 0.00 0.00 175.10 173.92 1c9k s PRO 142 N 2.57 4.01 0.29 2.72 0.02 -1.26 -4.93 135.00 138.42 1c9k s PRO 142 Ca 0.64 1.73 0.16 0.00 0.02 0.00 0.00 61.00 63.55 1c9k s PRO 142 Cb -0.31 -2.57 0.17 0.00 0.02 0.00 0.00 34.50 31.81 1c9k s PRO 142 CO 0.26 -0.33 1.49 1.05 -0.33 0.00 0.00 177.00 179.14 1c9k h GLU 143 N 2.44 0.00 -6.19 5.54 9.09 -1.99 -3.44 114.58 120.03 1c9k h GLU 143 Ca -0.49 0.00 -0.56 0.00 0.05 0.00 0.00 59.36 58.36 1c9k h GLU 143 Cb 1.23 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.29 1c9k h GLU 143 CO 0.62 0.48 0.41 1.21 0.05 0.00 0.00 179.01 181.78 1c9k s ASN 144 N -6.45 7.17 0.39 3.06 3.04 -1.26 -4.95 114.94 115.95 1c9k s ASN 144 Ca 0.03 1.43 0.10 0.00 0.04 0.00 0.00 52.86 54.47 1c9k s ASN 144 Cb 0.08 -2.52 0.78 0.00 -1.54 0.00 0.00 41.25 38.06 1c9k s ASN 144 CO 0.73 -0.34 1.90 -0.09 -3.04 0.00 0.00 177.10 176.26 1c9k h ARG 145 N 7.02 0.17 0.18 0.43 2.43 -1.96 -1.44 114.38 121.21 1c9k h ARG 145 Ca -0.35 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.77 1c9k h ARG 145 Cb 1.17 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1c9k h ARG 145 CO 0.81 0.37 -0.09 1.25 -1.51 0.00 0.00 179.97 180.80 1c9k h LEU 146 N 0.16 -0.21 -1.69 3.80 5.85 -1.92 -2.70 115.31 118.60 1c9k h LEU 146 Ca 0.03 -0.29 0.40 0.00 0.84 0.00 0.00 57.88 58.86 1c9k h LEU 146 Cb 0.44 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.43 1c9k h LEU 146 CO 0.03 0.34 0.92 0.00 -0.34 0.00 0.00 178.44 179.39 1c9k h ALA 147 N -0.50 2.96 -0.18 1.25 0.00 -1.96 1.98 119.26 122.81 1c9k h ALA 147 Ca -0.02 0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1c9k h ALA 147 Cb 0.48 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1c9k h ALA 147 CO 0.04 -1.44 -0.65 -0.09 0.00 0.00 0.00 179.25 177.10 1c9k h ARG 148 N 0.11 0.76 0.06 0.00 2.43 -1.24 0.81 114.38 117.31 1c9k h ARG 148 Ca 0.71 -0.58 -0.27 0.00 -0.81 0.00 0.00 59.98 59.03 1c9k h ARG 148 Cb 2.48 0.11 0.02 0.00 -0.42 0.00 0.00 29.97 32.15 1c9k h ARG 148 CO -0.19 1.20 -1.12 0.45 -1.51 0.00 0.00 179.97 178.79 1c9k h HIS 149 N 0.49 0.94 0.08 2.20 3.86 0.20 -1.58 115.15 121.34 1c9k h HIS 149 Ca -0.03 -0.55 0.02 0.00 -1.16 0.00 0.00 60.37 58.65 1c9k h HIS 149 Cb 1.28 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 29.63 1c9k h HIS 149 CO 0.09 1.39 -0.20 0.35 0.86 0.00 0.00 177.93 180.42 1c9k h PHE 150 N 0.31 -0.54 -0.95 2.45 3.04 0.25 0.60 116.94 122.10 1c9k h PHE 150 Ca -0.15 0.01 0.09 0.00 3.98 0.00 0.00 57.97 61.91 1c9k h PHE 150 Cb 1.78 0.23 -0.07 0.00 2.56 0.00 0.00 35.95 40.45 1c9k h PHE 150 CO 0.10 -0.29 0.61 -0.09 -2.02 0.00 0.00 178.31 176.61 1c9k h ARG 151 N -0.37 0.96 -0.19 1.11 2.43 -0.89 0.27 114.38 117.69 1c9k h ARG 151 Ca 0.04 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1c9k h ARG 151 Cb 0.40 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1c9k h ARG 151 CO -0.14 0.63 -0.08 -0.44 -1.51 0.00 0.00 179.97 178.44 1c9k h ASP 152 N 0.98 0.40 -0.40 -3.80 3.32 0.04 -2.94 116.42 114.02 1c9k h ASP 152 Ca 0.44 -0.40 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1c9k h ASP 152 Cb 0.37 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1c9k h ASP 152 CO -0.20 0.71 0.12 0.40 -1.72 0.00 0.00 179.24 178.56 1c9k h ILE 153 N 0.09 1.22 -0.59 0.35 2.04 0.63 -2.88 117.51 118.37 1c9k h ILE 153 Ca 0.04 -0.72 0.12 0.00 1.00 0.00 0.00 64.86 65.31 1c9k h ILE 153 Cb 0.55 0.92 -0.11 0.00 -0.74 0.00 0.00 36.82 37.44 1c9k h ILE 153 CO 0.03 0.25 -0.19 0.00 0.00 0.00 0.00 178.15 178.24 1c9k h ALA 154 N 0.97 0.30 -0.13 1.87 0.00 -0.52 -0.42 119.26 121.34 1c9k h ALA 154 Ca 0.13 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1c9k h ALA 154 Cb 0.26 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1c9k h ALA 154 CO -0.00 -0.48 0.05 0.78 0.00 0.00 0.00 179.25 179.60 1c9k h GLY 155 N -0.04 0.22 0.73 0.00 0.00 -1.39 -1.80 103.07 100.78 1c9k h GLY 155 Ca 0.28 -0.12 0.06 0.00 0.00 0.00 0.00 47.33 47.54 1c9k h GLY 155 CO -0.62 0.12 0.47 3.21 0.00 0.00 0.00 176.54 179.71 1c9k h ARG 156 N 0.05 0.84 -0.78 4.80 3.08 -1.22 -0.65 114.38 120.49 1c9k h ARG 156 Ca 0.04 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.11 1c9k h ARG 156 Cb 0.19 -0.19 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 1c9k h ARG 156 CO -0.00 0.55 0.46 0.28 -1.07 0.00 0.00 179.97 180.19 1c9k h VAL 157 N 0.86 0.98 -0.73 2.04 2.07 -0.92 -2.21 116.25 118.34 1c9k h VAL 157 Ca 0.34 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 1c9k h VAL 157 Cb 0.15 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 1c9k h VAL 157 CO -0.17 0.15 0.25 0.78 0.02 0.00 0.00 177.57 178.60 1c9k h ASN 158 N 0.82 1.05 -0.17 0.57 2.35 -0.26 -2.38 115.58 117.56 1c9k h ASN 158 Ca 0.35 -0.20 0.03 0.00 -0.55 0.00 0.00 56.30 55.94 1c9k h ASN 158 Cb 0.23 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 1c9k h ASN 158 CO -0.20 0.97 -0.05 1.56 -1.65 0.00 0.00 177.43 178.06 1c9k h GLN 159 N 1.07 -0.01 -0.04 0.81 4.20 -0.72 0.15 115.11 120.57 1c9k h GLN 159 Ca 0.24 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.99 1c9k h GLN 159 Cb 0.28 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 1c9k h GLN 159 CO -0.01 -0.01 -0.28 0.00 -0.67 0.00 0.00 178.83 177.86 1c9k h ARG 160 N -0.01 -0.39 0.11 1.46 3.08 -1.17 0.86 114.38 118.32 1c9k h ARG 160 Ca 0.08 0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.18 1c9k h ARG 160 Cb 0.14 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 1c9k h ARG 160 CO -0.18 -0.26 -0.22 -0.07 -1.07 0.00 0.00 179.97 178.17 1c9k h LEU 161 N -0.41 -0.63 -0.63 3.04 3.38 -1.26 0.61 115.31 119.41 1c9k h LEU 161 Ca 0.07 0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.22 1c9k h LEU 161 Cb 0.51 0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.43 1c9k h LEU 161 CO -0.27 -0.31 0.24 0.00 0.09 0.00 0.00 178.44 178.19 1c9k h ALA 162 N 0.37 0.81 -0.05 1.53 0.00 -0.31 2.60 119.26 124.22 1c9k h ALA 162 Ca 0.03 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1c9k h ALA 162 Cb 0.44 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1c9k h ALA 162 CO -0.13 -0.19 -0.20 0.00 0.00 0.00 0.00 179.25 178.73 1c9k h ALA 163 N 1.43 1.58 0.11 0.00 0.00 0.16 -2.88 119.26 119.66 1c9k h ALA 163 Ca 0.32 -0.21 -0.29 0.00 0.00 0.00 0.00 54.91 54.73 1c9k h ALA 163 Cb 0.40 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1c9k h ALA 163 CO -0.32 0.31 -1.38 0.00 0.00 0.00 0.00 179.25 177.86 1c9k h ALA 164 N 1.73 0.23 -2.54 0.00 0.00 0.58 -3.47 119.26 115.79 1c9k h ALA 164 Ca 0.01 -1.02 -0.54 0.00 0.00 0.00 0.00 54.91 53.37 1c9k h ALA 164 Cb 0.40 0.15 0.19 0.00 0.00 0.00 0.00 17.79 18.52 1c9k h ALA 164 CO 0.03 1.10 0.21 0.00 0.00 0.00 0.00 179.25 180.59 1c9k n ALA 165 N -2.59 -0.37 -0.02 0.00 0.00 0.82 -4.81 120.51 113.53 1c9k n ALA 165 Ca -0.12 -0.37 -0.10 0.00 0.00 0.00 0.00 53.44 52.85 1c9k n ALA 165 Cb 1.03 -2.19 -0.14 0.00 0.00 0.00 0.00 19.45 18.15 1c9k n ALA 165 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1c9k n ASP 166 N -3.05 1.01 -3.94 0.00 8.00 0.17 -4.89 116.55 113.84 1c9k n ASP 166 Ca 0.13 0.36 -0.16 0.00 0.71 0.00 0.00 54.79 55.83 1c9k n ASP 166 Cb 0.51 -0.12 -0.15 0.00 -0.02 0.00 0.00 41.12 41.34 1c9k n ASP 166 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1c9k s GLU 167 N -2.59 0.43 -0.05 -1.24 2.02 -1.15 -4.96 118.70 111.17 1c9k s GLU 167 Ca -0.08 -0.16 0.02 0.00 0.02 0.00 0.00 54.97 54.78 1c9k s GLU 167 Cb 0.08 -0.43 0.02 0.00 0.10 0.00 0.00 34.13 33.89 1c9k s GLU 167 CO 0.82 0.08 -0.09 0.08 0.02 0.00 0.00 175.26 176.16 1c9k s VAL 168 N 0.04 0.87 -0.07 2.63 1.01 -1.26 -1.92 120.40 121.71 1c9k s VAL 168 Ca -0.00 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.67 1c9k s VAL 168 Cb -0.04 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.53 1c9k s VAL 168 CO -0.00 0.29 -0.14 0.26 0.00 0.00 0.00 175.10 175.52 1c9k s TRP 169 N 0.69 1.57 -0.19 5.22 0.52 -0.62 -0.43 118.94 125.71 1c9k s TRP 169 Ca -0.12 -0.58 -0.08 0.00 0.02 0.00 0.00 56.10 55.34 1c9k s TRP 169 Cb -0.15 -1.13 -0.04 0.00 -1.15 0.00 0.00 33.47 31.00 1c9k s TRP 169 CO 0.02 -0.28 0.08 -1.17 0.02 0.00 0.00 176.95 175.61 1c9k s LEU 170 N 0.60 3.85 -0.22 2.99 2.96 0.19 -1.10 118.68 127.95 1c9k s LEU 170 Ca -0.14 0.08 -0.06 0.00 -0.22 0.00 0.00 54.13 53.78 1c9k s LEU 170 Cb -0.16 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 1c9k s LEU 170 CO 0.04 0.15 0.02 -0.69 -1.32 0.00 0.00 176.35 174.55 1c9k s VAL 171 N 0.52 4.00 -0.19 1.68 1.01 0.07 0.82 120.40 128.31 1c9k s VAL 171 Ca 0.04 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1c9k s VAL 171 Cb -0.13 -2.83 0.04 0.00 0.00 0.00 0.00 36.38 33.46 1c9k s VAL 171 CO 0.01 0.40 -0.12 0.54 0.00 0.00 0.00 175.10 175.93 1c9k s VAL 172 N 1.24 1.68 -1.42 2.92 0.11 0.65 -4.37 120.40 121.22 1c9k s VAL 172 Ca 0.04 -0.97 -0.10 0.00 -2.93 0.00 0.00 61.98 58.02 1c9k s VAL 172 Cb -0.15 -1.71 0.04 0.00 -1.53 0.00 0.00 36.38 33.03 1c9k s VAL 172 CO 0.02 0.23 1.09 -1.20 -3.33 0.00 0.00 175.10 171.91 1c9k n SER 173 N 4.68 -5.46 0.00 3.54 7.64 -1.24 0.06 113.62 122.85 1c9k n SER 173 Ca -0.15 -0.64 0.00 0.00 1.01 0.00 0.00 58.87 59.08 1c9k n SER 173 Cb 0.47 -4.58 0.00 0.00 -1.01 0.00 0.00 64.21 59.09 1c9k n SER 173 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1c9k n GLY 174 N -1.85 1.49 3.71 0.23 0.00 0.40 -4.95 105.19 104.23 1c9k n GLY 174 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1c9k n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c9k s ILE 175 N -3.41 5.39 -0.13 -0.61 -1.09 0.11 -4.92 121.20 116.54 1c9k s ILE 175 Ca 0.00 0.21 -0.21 0.00 -2.23 0.00 0.00 60.65 58.42 1c9k s ILE 175 Cb 0.00 -3.49 -0.04 0.00 -1.58 0.00 0.00 42.46 37.36 1c9k s ILE 175 CO 0.00 0.41 0.59 -0.83 -1.23 0.00 0.00 174.94 173.88 1c9k s GLY 176 N 0.57 2.36 -0.26 6.18 0.00 -1.26 0.24 107.32 115.15 1c9k s GLY 176 Ca 0.08 -0.12 -0.00 0.00 0.00 0.00 0.00 44.72 44.68 1c9k s GLY 176 CO 0.00 1.06 -0.07 0.14 0.00 0.00 0.00 173.10 174.22 1c9k s VAL 177 N 1.06 2.64 -0.60 1.40 1.01 0.24 -4.96 120.40 121.19 1c9k s VAL 177 Ca 0.30 -1.26 -0.28 0.00 0.00 0.00 0.00 61.98 60.75 1c9k s VAL 177 Cb -0.16 -2.42 0.03 0.00 0.00 0.00 0.00 36.38 33.83 1c9k s VAL 177 CO 0.13 0.10 1.19 -0.75 0.00 0.00 0.00 175.10 175.77 1c9k s LYS 178 N 1.25 3.45 0.14 2.72 2.20 -1.26 0.56 119.74 128.80 1c9k s LYS 178 Ca -0.03 0.13 0.20 0.00 -0.36 0.00 0.00 55.97 55.92 1c9k s LYS 178 Cb -0.18 -4.04 -0.06 0.00 -1.51 0.00 0.00 37.83 32.04 1c9k s LYS 178 CO -0.05 -1.74 0.94 0.44 -0.36 0.00 0.00 175.35 174.58 1c9k n ILE 179 N 6.59 0.80 -1.11 5.43 -5.35 0.43 -4.97 119.36 121.18 1c9k n ILE 179 Ca 0.07 -0.60 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 1c9k n ILE 179 Cb 0.49 -0.47 0.00 0.00 -1.74 0.00 0.00 39.64 37.92 1c9k n ILE 179 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96