#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0k s VAL 10 N 0.00 1.66 -0.23 3.15 1.01 -0.75 -2.78 120.40 122.47 3h0k s VAL 10 Ca 0.00 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 61.11 3h0k s VAL 10 Cb 0.00 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 3h0k s VAL 10 CO 0.00 0.47 0.17 -0.63 0.00 0.00 0.00 175.10 175.11 3h0k s ILE 11 N 0.73 5.36 -0.28 2.22 1.01 -0.54 0.01 121.20 129.71 3h0k s ILE 11 Ca -0.11 0.21 -0.10 0.00 0.00 0.00 0.00 60.65 60.64 3h0k s ILE 11 Cb -0.16 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 3h0k s ILE 11 CO 0.02 0.35 0.16 -0.76 0.00 0.00 0.00 174.94 174.71 3h0k s LEU 12 N 0.99 3.94 -0.18 2.97 1.43 0.45 -0.23 118.68 128.04 3h0k s LEU 12 Ca 0.08 -0.18 -0.14 0.00 -1.03 0.00 0.00 54.13 52.86 3h0k s LEU 12 Cb -0.13 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 3h0k s LEU 12 CO 0.04 -0.09 0.32 -0.63 0.23 0.00 0.00 176.35 176.22 3h0k s ILE 13 N 1.70 5.27 0.12 -0.59 1.01 0.87 0.46 121.20 130.04 3h0k s ILE 13 Ca 0.06 0.58 0.09 0.00 0.00 0.00 0.00 60.65 61.39 3h0k s ILE 13 Cb -0.16 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 3h0k s ILE 13 CO 0.08 0.34 -0.22 -0.89 0.00 0.00 0.00 174.94 174.25 3h0k s THR 14 N 0.78 1.89 -0.22 2.92 2.01 -0.57 -1.88 115.64 120.58 3h0k s THR 14 Ca 0.17 -1.67 -0.36 0.00 0.31 0.00 0.00 61.69 60.13 3h0k s THR 14 Cb -0.14 -1.73 0.15 0.00 0.01 0.00 0.00 72.50 70.79 3h0k s THR 14 CO 0.05 -0.06 1.30 -0.83 -0.69 0.00 0.00 174.62 174.40 3h0k s GLY 15 N -2.09 -0.27 0.63 4.40 0.00 -1.26 -1.47 107.32 107.26 3h0k s GLY 15 Ca 0.10 1.64 -0.14 0.00 0.00 0.00 0.00 44.72 46.32 3h0k s GLY 15 CO 0.05 0.53 1.07 1.06 0.00 0.00 0.00 173.10 175.81 3h0k s MET 16 N -2.23 3.11 0.33 2.90 -1.94 -1.26 -4.90 119.30 115.31 3h0k s MET 16 Ca 0.11 1.19 0.09 0.00 -1.71 0.00 0.00 55.69 55.37 3h0k s MET 16 Cb -0.00 -2.00 0.98 0.00 2.01 0.00 0.00 34.83 35.81 3h0k s MET 16 CO -0.04 -0.98 1.55 -2.30 -0.01 0.00 0.00 175.02 173.25 3h0k n PRO 17 N -2.37 -0.07 -0.05 2.03 -0.02 -1.26 -0.01 135.00 133.25 3h0k n PRO 17 Ca 0.09 1.43 0.12 0.00 -2.02 0.00 0.00 63.50 63.12 3h0k n PRO 17 Cb 0.53 -2.38 0.42 0.00 -0.02 0.00 0.00 33.50 32.05 3h0k n PRO 17 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h0k n GLY 18 N -1.40 0.23 0.33 -1.23 0.00 -1.26 -4.68 105.19 97.18 3h0k n GLY 18 Ca 0.29 -0.44 0.10 0.00 0.00 0.00 0.00 46.02 45.97 3h0k n GLY 18 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h0k h SER 19 N 2.36 0.31 0.00 1.61 4.64 -0.76 -3.44 113.55 118.28 3h0k h SER 19 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h0k h SER 19 Cb 0.51 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3h0k h SER 19 CO 0.00 0.20 0.00 0.61 -0.87 0.00 0.00 176.83 176.77 3h0k n GLY 20 N -1.52 0.89 0.38 -0.77 0.00 -1.26 -4.54 105.19 98.37 3h0k n GLY 20 Ca 0.07 -0.50 -0.03 0.00 0.00 0.00 0.00 46.02 45.56 3h0k n GLY 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h0k n LYS 21 N -1.91 -0.27 -0.33 1.61 5.02 -1.26 -2.44 118.16 118.58 3h0k n LYS 21 Ca 0.00 1.50 0.13 0.00 -2.02 0.00 0.00 58.31 57.92 3h0k n LYS 21 Cb 0.09 -2.22 0.27 0.00 -0.02 0.00 0.00 35.03 33.15 3h0k n LYS 21 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3h0k h SER 22 N 0.00 -0.41 -0.53 4.39 0.02 -1.98 -0.00 113.55 115.03 3h0k h SER 22 Ca 0.31 0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 61.49 3h0k h SER 22 Cb 0.55 0.44 -0.03 0.00 0.14 0.00 0.00 62.40 63.51 3h0k h SER 22 CO -0.96 -0.31 0.25 -0.33 -1.14 0.00 0.00 176.83 174.34 3h0k h GLU 23 N 0.04 0.81 0.16 3.45 3.07 -1.90 0.67 114.58 120.88 3h0k h GLU 23 Ca 0.57 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.36 59.31 3h0k h GLU 23 Cb 1.15 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 3h0k h GLU 23 CO -0.86 0.64 -0.08 0.35 -1.40 0.00 0.00 179.01 177.67 3h0k h PHE 24 N 0.81 -0.20 -0.91 4.33 3.57 -1.12 -0.87 116.94 122.54 3h0k h PHE 24 Ca 0.20 -0.00 0.24 0.00 3.53 0.00 0.00 57.97 61.94 3h0k h PHE 24 Cb 0.12 0.07 -0.13 0.00 2.79 0.00 0.00 35.95 38.79 3h0k h PHE 24 CO 0.01 0.24 0.38 0.00 -2.23 0.00 0.00 178.31 176.71 3h0k h ALA 25 N -0.17 1.49 -0.06 2.41 0.00 -1.16 -1.05 119.26 120.72 3h0k h ALA 25 Ca -0.02 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3h0k h ALA 25 Cb 0.53 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3h0k h ALA 25 CO 0.04 -0.42 0.03 -0.22 0.00 0.00 0.00 179.25 178.67 3h0k h LYS 26 N 0.33 0.08 -0.76 0.00 3.64 0.40 -0.28 116.57 119.99 3h0k h LYS 26 Ca 0.59 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 60.04 3h0k h LYS 26 Cb 1.20 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 3h0k h LYS 26 CO -0.58 0.14 0.43 1.25 -2.27 0.00 0.00 179.45 178.42 3h0k h LEU 27 N -0.00 0.62 0.02 5.20 6.46 0.07 0.21 115.31 127.89 3h0k h LEU 27 Ca 0.02 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.82 3h0k h LEU 27 Cb 0.09 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 3h0k h LEU 27 CO -0.00 0.38 -0.01 -0.07 -0.62 0.00 0.00 178.44 178.11 3h0k h LEU 28 N 0.75 -0.03 -0.92 2.25 3.38 -1.25 -2.67 115.31 116.82 3h0k h LEU 28 Ca 0.35 -0.35 0.16 0.00 0.09 0.00 0.00 57.88 58.13 3h0k h LEU 28 Cb 0.27 0.01 -0.16 0.00 0.09 0.00 0.00 40.66 40.87 3h0k h LEU 28 CO -0.22 0.34 -0.34 0.50 0.09 0.00 0.00 178.44 178.81 3h0k h LYS 29 N -0.40 -0.03 0.00 1.13 3.64 -0.40 0.31 116.57 120.83 3h0k h LYS 29 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3h0k h LYS 29 Cb 0.37 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3h0k h LYS 29 CO 0.01 -0.02 -0.06 0.93 -2.27 0.00 0.00 179.45 178.04 3h0k h GLU 30 N -0.03 0.00 0.05 1.90 5.08 -0.54 -2.80 114.58 118.25 3h0k h GLU 30 Ca 0.36 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.72 3h0k h GLU 30 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3h0k h GLU 30 CO -0.93 0.06 -0.02 0.00 -1.00 0.00 0.00 179.01 177.11 3h0k h ARG 31 N 0.00 -0.06 0.00 2.33 3.08 -0.06 -3.48 114.38 116.19 3h0k h ARG 31 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3h0k h ARG 31 Cb 0.13 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3h0k h ARG 31 CO 0.01 0.36 0.00 0.41 -1.07 0.00 0.00 179.97 179.68 3h0k n GLY 32 N 0.09 0.52 3.69 0.04 0.00 -0.75 -5.11 105.19 103.67 3h0k n GLY 32 Ca -0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.50 3h0k n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h0k n ALA 33 N 0.00 1.39 -1.91 4.61 0.00 -1.21 -4.94 120.51 118.45 3h0k n ALA 33 Ca 0.00 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.41 3h0k n ALA 33 Cb 0.00 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.12 3h0k n ALA 33 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3h0k s LYS 34 N -0.79 3.98 -0.22 0.00 2.47 -1.26 -4.29 119.74 119.63 3h0k s LYS 34 Ca 0.64 2.16 -0.06 0.00 -1.56 0.00 0.00 55.97 57.15 3h0k s LYS 34 Cb -0.60 -4.08 -0.03 0.00 -1.46 0.00 0.00 37.83 31.66 3h0k s LYS 34 CO 0.53 -1.10 0.04 0.08 0.16 0.00 0.00 175.35 175.05 3h0k s VAL 35 N 4.82 4.18 -0.22 4.02 1.01 -1.26 -1.29 120.40 131.67 3h0k s VAL 35 Ca 0.79 -0.23 -0.14 0.00 0.00 0.00 0.00 61.98 62.41 3h0k s VAL 35 Cb -0.34 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 3h0k s VAL 35 CO 0.33 0.39 0.32 -0.63 0.00 0.00 0.00 175.10 175.52 3h0k s ILE 36 N 1.21 5.25 -0.49 2.22 1.09 0.13 -4.98 121.20 125.63 3h0k s ILE 36 Ca 0.04 0.54 -0.21 0.00 -1.10 0.00 0.00 60.65 59.92 3h0k s ILE 36 Cb -0.14 -3.66 0.04 0.00 -1.06 0.00 0.00 42.46 37.64 3h0k s ILE 36 CO 0.02 0.28 0.70 -0.69 -0.10 0.00 0.00 174.94 175.15 3h0k s VAL 37 N 1.26 4.75 0.16 2.92 1.01 -1.26 -1.46 120.40 127.79 3h0k s VAL 37 Ca 0.15 -0.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.88 3h0k s VAL 37 Cb -0.14 -4.31 0.05 0.00 0.00 0.00 0.00 36.38 31.97 3h0k s VAL 37 CO 0.07 -0.79 1.73 0.24 0.00 0.00 0.00 175.10 176.35 3h0k h MET 38 N 9.02 0.21 -0.11 2.72 2.86 0.25 0.57 114.93 130.44 3h0k h MET 38 Ca -0.26 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.40 3h0k h MET 38 Cb 1.09 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.70 3h0k h MET 38 CO 0.96 0.14 0.10 0.77 1.06 0.00 0.00 176.91 179.94 3h0k h SER 39 N 0.21 0.00 -0.07 1.22 0.02 -1.89 0.69 113.55 113.73 3h0k h SER 39 Ca 0.18 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.92 3h0k h SER 39 Cb 0.21 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.76 3h0k h SER 39 CO -0.24 0.00 -0.76 0.44 -1.14 0.00 0.00 176.83 175.13 3h0k h ASP 40 N 0.00 0.86 -0.09 3.07 3.32 -1.30 -1.92 116.42 120.36 3h0k h ASP 40 Ca 0.05 -0.56 0.02 0.00 0.02 0.00 0.00 57.03 56.57 3h0k h ASP 40 Cb 0.24 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3h0k h ASP 40 CO -0.00 1.35 -0.05 0.58 -1.72 0.00 0.00 179.24 179.40 3h0k h VAL 41 N 0.50 0.85 -0.35 -1.35 2.07 0.18 -1.48 116.25 116.67 3h0k h VAL 41 Ca -0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.52 3h0k h VAL 41 Cb 1.38 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 3h0k h VAL 41 CO 0.15 0.00 0.09 0.58 0.02 0.00 0.00 177.57 178.41 3h0k h VAL 42 N -0.04 0.86 -0.22 2.57 2.07 -1.08 -2.53 116.25 117.87 3h0k h VAL 42 Ca 0.05 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.55 3h0k h VAL 42 Cb 0.12 0.62 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 3h0k h VAL 42 CO -0.12 0.04 -0.44 0.03 0.02 0.00 0.00 177.57 177.11 3h0k h ARG 43 N 0.22 -0.43 -1.04 1.57 3.08 -0.86 0.21 114.38 117.13 3h0k h ARG 43 Ca 0.16 0.03 0.32 0.00 0.07 0.00 0.00 59.98 60.56 3h0k h ARG 43 Cb 0.17 0.10 -0.14 0.00 0.08 0.00 0.00 29.97 30.17 3h0k h ARG 43 CO -0.19 -0.29 0.61 0.87 -1.07 0.00 0.00 179.97 179.90 3h0k h LYS 44 N -0.45 0.32 -0.18 0.04 1.57 -0.88 0.42 116.57 117.42 3h0k h LYS 44 Ca 0.09 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.70 3h0k h LYS 44 Cb 0.62 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3h0k h LYS 44 CO -0.46 0.21 -0.54 -0.09 -0.57 0.00 0.00 179.45 178.01 3h0k h ARG 45 N 0.33 0.52 -1.00 3.15 1.12 -0.32 -2.83 114.38 115.35 3h0k h ARG 45 Ca 0.72 -0.32 0.13 0.00 -1.11 0.00 0.00 59.98 59.40 3h0k h ARG 45 Cb 1.70 0.03 -0.15 0.00 -0.01 0.00 0.00 29.97 31.55 3h0k h ARG 45 CO -0.55 0.92 -0.46 -0.92 -3.11 0.00 0.00 179.97 175.85 3h0k h TYR 46 N 0.40 -1.39 -1.22 2.20 3.20 0.17 0.26 116.97 120.59 3h0k h TYR 46 Ca 0.01 0.11 0.35 0.00 3.14 0.00 0.00 58.73 62.35 3h0k h TYR 46 Cb 1.07 0.75 -0.09 0.00 1.54 0.00 0.00 36.73 40.00 3h0k h TYR 46 CO 0.04 -0.39 0.82 0.77 -1.64 0.00 0.00 178.16 177.76 3h0k h SER 47 N -0.00 0.24 0.00 -2.11 0.02 -1.29 -0.71 113.55 109.70 3h0k h SER 47 Ca 0.28 0.07 -0.15 0.00 -0.84 0.00 0.00 61.79 61.14 3h0k h SER 47 Cb 0.53 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 3h0k h SER 47 CO -0.97 -0.01 -1.28 -0.38 -1.14 0.00 0.00 176.83 173.04 3h0k n ILE 48 N -4.47 1.49 0.05 3.27 5.41 -0.34 -4.83 119.36 119.95 3h0k n ILE 48 Ca 0.30 0.01 -0.22 0.00 1.00 0.00 0.00 62.75 63.83 3h0k n ILE 48 Cb 1.21 -2.20 -0.14 0.00 -0.71 0.00 0.00 39.64 37.80 3h0k n ILE 48 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 3h0k h GLU 49 N -1.00 0.34 -7.42 0.38 4.57 -0.17 -3.47 114.58 107.81 3h0k h GLU 49 Ca -0.23 -0.58 -0.47 0.00 -1.18 0.00 0.00 59.36 56.90 3h0k h GLU 49 Cb 1.07 0.22 0.13 0.00 -0.16 0.00 0.00 28.75 30.01 3h0k h GLU 49 CO -0.14 1.28 0.28 0.00 -1.18 0.00 0.00 179.01 179.25 3h0k s ALA 50 N -2.55 1.69 0.08 2.92 0.00 -0.31 -5.03 121.76 118.57 3h0k s ALA 50 Ca -0.18 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.46 3h0k s ALA 50 Cb 0.05 -3.09 -0.00 0.00 0.00 0.00 0.00 23.12 20.07 3h0k s ALA 50 CO 0.82 -2.27 0.09 1.63 0.00 0.00 0.00 175.76 176.04 3h0k n LYS 51 N -3.78 0.14 0.00 0.00 5.02 -1.26 -4.84 118.16 113.43 3h0k n LYS 51 Ca 0.06 -0.77 0.00 0.00 -2.02 0.00 0.00 58.31 55.58 3h0k n LYS 51 Cb 0.57 0.68 0.00 0.00 -0.02 0.00 0.00 35.03 36.26 3h0k n LYS 51 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3h0k n PRO 52 N -0.15 0.00 0.00 1.97 -0.02 -1.26 -3.37 135.00 132.17 3h0k n PRO 52 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 3h0k n PRO 52 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.63 3h0k n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h0k n GLY 53 N 0.00 1.00 3.89 -1.23 0.00 -1.26 -4.99 105.19 102.61 3h0k n GLY 53 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3h0k n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h0k n GLU 54 N -0.97 -0.72 -1.50 1.61 1.02 -1.22 -4.74 120.64 114.12 3h0k n GLU 54 Ca 0.00 0.25 -0.41 0.00 -0.02 0.00 0.00 57.16 56.99 3h0k n GLU 54 Cb 0.00 -2.00 -0.14 0.00 -0.02 0.00 0.00 31.44 29.28 3h0k n GLU 54 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3h0k n ARG 55 N -3.72 0.07 0.00 3.49 3.00 -1.26 -4.39 116.66 113.86 3h0k n ARG 55 Ca -0.18 -0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.67 3h0k n ARG 55 Cb 0.54 -1.64 0.00 0.00 0.00 0.00 0.00 32.46 31.37 3h0k n ARG 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3h0k n LEU 56 N 10.88 0.00 -0.14 6.15 -0.00 -1.26 0.48 117.00 133.11 3h0k n LEU 56 Ca 0.64 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.77 3h0k n LEU 56 Cb 0.07 0.00 0.22 0.00 -0.00 0.00 0.00 43.42 43.71 3h0k n LEU 56 CO 0.92 0.00 0.43 0.80 -0.00 0.00 0.00 177.39 179.54 3h0k n MET 57 N 0.00 -0.03 -0.30 1.96 1.56 -1.26 0.28 117.12 119.34 3h0k n MET 57 Ca 0.00 0.61 0.09 0.00 -0.27 0.00 0.00 57.70 58.13 3h0k n MET 57 Cb 0.00 -1.06 0.24 0.00 2.15 0.00 0.00 33.22 34.55 3h0k n MET 57 CO 0.00 0.00 0.00 -0.44 -0.73 0.00 0.00 175.97 174.80 3h0k h ASP 58 N 0.00 0.46 0.68 6.12 5.19 -0.25 0.18 116.42 128.80 3h0k h ASP 58 Ca 0.34 0.11 -0.26 0.00 -0.62 0.00 0.00 57.03 56.59 3h0k h ASP 58 Cb 0.86 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.40 3h0k h ASP 58 CO -0.35 0.15 -1.34 0.15 -3.12 0.00 0.00 179.24 174.73 3h0k h PHE 59 N 0.55 0.21 -0.95 4.55 3.04 0.39 -3.01 116.94 121.72 3h0k h PHE 59 Ca 0.49 -0.15 0.02 0.00 3.98 0.00 0.00 57.97 62.31 3h0k h PHE 59 Cb 0.76 -0.01 -0.05 0.00 2.56 0.00 0.00 35.95 39.21 3h0k h PHE 59 CO -0.11 1.16 0.63 0.00 -2.02 0.00 0.00 178.31 177.97 3h0k h ALA 60 N 0.78 1.36 -0.16 2.41 0.00 -0.83 -1.36 119.26 121.46 3h0k h ALA 60 Ca -0.15 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3h0k h ALA 60 Cb 1.92 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 3h0k h ALA 60 CO 0.14 0.57 -0.04 1.57 0.00 0.00 0.00 179.25 181.49 3h0k h LYS 61 N 1.24 0.30 0.00 0.00 -0.00 -0.74 -3.11 116.57 114.26 3h0k h LYS 61 Ca 0.36 -0.11 -0.01 0.00 -0.00 0.00 0.00 60.65 60.89 3h0k h LYS 61 Cb -0.06 -0.02 -0.00 0.00 -0.00 0.00 0.00 32.23 32.15 3h0k h LYS 61 CO -0.10 0.58 -0.06 0.07 -0.00 0.00 0.00 179.45 179.94 3h0k h ARG 62 N 0.00 0.00 -0.03 0.07 -0.00 -1.36 0.18 114.38 113.25 3h0k h ARG 62 Ca 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 60.01 3h0k h ARG 62 Cb 0.47 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.44 3h0k h ARG 62 CO 0.02 0.06 -0.01 -0.07 -0.00 0.00 0.00 179.97 179.96 3h0k h LEU 63 N 0.00 0.07 -0.73 0.08 3.38 -1.23 -1.81 115.31 115.08 3h0k h LEU 63 Ca -0.00 -0.40 -0.09 0.00 0.09 0.00 0.00 57.88 57.47 3h0k h LEU 63 Cb 0.12 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3h0k h LEU 63 CO 0.01 0.46 -0.05 0.03 0.09 0.00 0.00 178.44 178.97 3h0k h ARG 64 N -0.31 0.92 -0.11 1.13 3.08 -1.29 0.17 114.38 117.97 3h0k h ARG 64 Ca 0.01 -0.30 0.03 0.00 0.07 0.00 0.00 59.98 59.79 3h0k h ARG 64 Cb 0.43 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 3h0k h ARG 64 CO 0.00 0.95 0.08 0.93 -1.07 0.00 0.00 179.97 180.86 3h0k h GLU 65 N 0.84 0.00 0.00 0.04 4.39 -0.61 0.36 114.58 119.59 3h0k h GLU 65 Ca 0.15 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.63 3h0k h GLU 65 Cb 0.57 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.18 3h0k h GLU 65 CO 0.03 0.00 -2.16 -0.89 -1.16 0.00 0.00 179.01 174.83 3h0k n ILE 66 N -4.43 0.87 -0.43 3.13 5.41 -0.53 -4.51 119.36 118.86 3h0k n ILE 66 Ca -0.00 -0.71 0.00 0.00 1.00 0.00 0.00 62.75 63.03 3h0k n ILE 66 Cb 0.20 -0.32 0.00 0.00 -0.71 0.00 0.00 39.64 38.81 3h0k n ILE 66 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 3h0k n TYR 67 N -2.58 0.00 0.00 1.39 4.01 0.49 -5.09 117.16 115.38 3h0k n TYR 67 Ca -0.20 -0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.34 3h0k n TYR 67 Cb 0.92 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.93 3h0k n TYR 67 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h0k n GLY 68 N -0.19 -2.84 0.00 2.72 0.00 0.13 -4.45 105.19 100.56 3h0k n GLY 68 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 3h0k n GLY 68 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3h0k n ASP 69 N -0.95 0.00 0.12 1.61 5.68 -1.20 -1.11 116.55 120.70 3h0k n ASP 69 Ca 0.00 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.33 3h0k n ASP 69 Cb 0.00 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.00 3h0k n ASP 69 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3h0k h GLY 70 N 0.00 0.00 -1.00 6.12 0.00 -1.81 -3.37 103.07 103.01 3h0k h GLY 70 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.46 3h0k h GLY 70 CO 0.00 0.00 -0.45 -0.62 0.00 0.00 0.00 176.54 175.47 3h0k n VAL 71 N -3.07 -0.57 -0.27 4.60 0.31 -0.27 -1.85 118.33 117.21 3h0k n VAL 71 Ca -0.01 2.36 0.08 0.00 -0.01 0.00 0.00 64.34 66.76 3h0k n VAL 71 Cb 0.71 -3.06 0.22 0.00 -0.91 0.00 0.00 33.84 30.80 3h0k n VAL 71 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3h0k h VAL 72 N 0.00 0.53 -0.62 2.52 2.07 -1.86 0.24 116.25 119.13 3h0k h VAL 72 Ca 0.29 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.69 3h0k h VAL 72 Cb 0.54 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 3h0k h VAL 72 CO -0.97 0.06 0.37 0.00 0.02 0.00 0.00 177.57 177.05 3h0k h ALA 73 N 1.63 0.79 -0.58 1.67 0.00 -1.70 -0.60 119.26 120.46 3h0k h ALA 73 Ca 0.46 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.33 3h0k h ALA 73 Cb 0.80 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3h0k h ALA 73 CO -0.50 0.27 0.38 -0.09 0.00 0.00 0.00 179.25 179.32 3h0k h ARG 74 N 0.84 0.62 0.00 0.00 2.43 -0.57 0.28 114.38 117.98 3h0k h ARG 74 Ca 0.22 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.23 3h0k h ARG 74 Cb -0.01 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 3h0k h ARG 74 CO -0.04 0.41 -0.60 -0.07 -1.51 0.00 0.00 179.97 178.17 3h0k h LEU 75 N 0.64 0.00 -0.25 3.80 3.38 -0.65 -1.78 115.31 120.44 3h0k h LEU 75 Ca 0.24 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.00 3h0k h LEU 75 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3h0k h LEU 75 CO -0.07 0.60 -0.89 0.00 0.09 0.00 0.00 178.44 178.17 3h0k h VAL 77 N 0.16 0.91 -0.18 0.00 2.07 -0.57 -1.84 116.25 116.80 3h0k h VAL 77 Ca -0.06 -1.67 -0.14 0.00 0.82 0.00 0.00 66.70 65.66 3h0k h VAL 77 Cb 1.51 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 33.29 3h0k h VAL 77 CO 0.14 0.40 -0.46 -0.08 0.02 0.00 0.00 177.57 177.59 3h0k h GLU 78 N 0.00 0.46 0.00 1.57 4.57 -1.06 -3.30 114.58 116.82 3h0k h GLU 78 Ca -0.00 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 3h0k h GLU 78 Cb 0.99 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.59 3h0k h GLU 78 CO 0.05 0.83 0.00 -1.91 -1.18 0.00 0.00 179.01 176.80 3h0k n GLU 79 N -3.99 0.00 -1.00 1.92 4.07 -0.64 -4.65 120.64 116.35 3h0k n GLU 79 Ca -0.02 0.23 -0.44 0.00 -0.06 0.00 0.00 57.16 56.87 3h0k n GLU 79 Cb 0.54 -1.02 -0.10 0.00 -0.06 0.00 0.00 31.44 30.80 3h0k n GLU 79 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 3h0k n LEU 80 N -1.20 0.53 -4.54 4.31 -0.00 -0.71 -4.54 117.00 110.84 3h0k n LEU 80 Ca 0.00 0.47 -0.32 0.00 -0.00 0.00 0.00 56.01 56.16 3h0k n LEU 80 Cb 0.00 -0.70 -0.06 0.00 -0.00 0.00 0.00 43.42 42.66 3h0k n LEU 80 CO 0.00 -0.59 1.90 0.61 -0.00 0.00 0.00 177.39 179.30 3h0k n GLY 81 N 5.69 0.02 2.26 -3.96 0.00 -1.26 -4.73 105.19 103.21 3h0k n GLY 81 Ca 0.44 0.62 0.00 0.00 0.00 0.00 0.00 46.02 47.08 3h0k n GLY 81 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h0k n THR 82 N 8.03 0.00 0.00 2.61 -2.24 -1.26 0.72 114.28 122.14 3h0k n THR 82 Ca 0.43 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3h0k n THR 82 Cb 0.45 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 3h0k n THR 82 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3h0k n SER 83 N 2.63 0.00 -4.30 3.42 3.41 -1.26 -5.10 113.62 112.43 3h0k n SER 83 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 3h0k n SER 83 Cb 0.19 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.02 3h0k n SER 83 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3h0k n ASN 84 N -0.52 -1.33 0.00 4.04 5.15 0.22 -4.79 115.26 118.03 3h0k n ASN 84 Ca 0.00 -1.09 0.09 0.00 -0.60 0.00 0.00 54.58 52.99 3h0k n ASN 84 Cb 0.00 -0.70 0.44 0.00 -0.53 0.00 0.00 39.78 38.99 3h0k n ASN 84 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3h0k n HIS 85 N 6.75 0.00 -2.44 1.20 1.44 -1.26 -4.84 115.22 116.06 3h0k n HIS 85 Ca 0.36 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.80 3h0k n HIS 85 Cb 0.33 -0.43 0.02 0.00 0.12 0.00 0.00 29.99 30.03 3h0k n HIS 85 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3h0k s ASP 86 N -2.86 5.83 0.33 4.39 -0.00 -1.26 -4.84 116.67 118.26 3h0k s ASP 86 Ca 0.12 0.81 -0.29 0.00 -0.00 0.00 0.00 52.55 53.20 3h0k s ASP 86 Cb 0.13 -1.91 -0.10 0.00 -0.00 0.00 0.00 42.92 41.03 3h0k s ASP 86 CO 0.33 -0.90 1.34 -1.48 -0.00 0.00 0.00 175.17 174.46 3h0k s LEU 87 N -4.92 4.41 -0.00 1.23 0.05 -1.26 -4.84 118.68 113.34 3h0k s LEU 87 Ca 0.52 2.73 0.05 0.00 0.05 0.00 0.00 54.13 57.48 3h0k s LEU 87 Cb -0.10 -3.65 -0.01 0.00 -2.05 0.00 0.00 46.19 40.37 3h0k s LEU 87 CO 0.45 -0.60 -0.16 0.54 -0.55 0.00 0.00 176.35 176.04 3h0k s VAL 88 N -1.01 1.26 -0.26 1.48 0.11 -1.12 -4.26 120.40 116.60 3h0k s VAL 88 Ca 0.51 -0.74 -0.08 0.00 -2.93 0.00 0.00 61.98 58.73 3h0k s VAL 88 Cb -0.41 -1.06 -0.03 0.00 -1.53 0.00 0.00 36.38 33.35 3h0k s VAL 88 CO 0.53 0.30 0.10 -0.69 -3.33 0.00 0.00 175.10 172.01 3h0k s VAL 89 N -0.45 4.49 -0.17 2.04 1.01 -0.41 -1.47 120.40 125.45 3h0k s VAL 89 Ca 0.06 -0.13 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 3h0k s VAL 89 Cb -0.06 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 3h0k s VAL 89 CO -0.00 0.31 0.06 -0.36 0.00 0.00 0.00 175.10 175.10 3h0k s PHE 90 N 1.64 3.26 -0.06 5.22 0.08 0.67 0.18 117.98 128.97 3h0k s PHE 90 Ca 0.06 0.10 -0.03 0.00 0.12 0.00 0.00 56.93 57.19 3h0k s PHE 90 Cb -0.15 -2.03 0.04 0.00 -0.57 0.00 0.00 43.02 40.31 3h0k s PHE 90 CO 0.05 0.23 0.13 0.34 -0.10 0.00 0.00 175.22 175.87 3h0k s ASP 91 N 0.12 0.07 -0.03 1.36 2.15 -0.53 -0.09 116.67 119.71 3h0k s ASP 91 Ca 0.05 0.27 0.02 0.00 0.43 0.00 0.00 52.55 53.31 3h0k s ASP 91 Cb -0.12 0.16 0.01 0.00 -0.30 0.00 0.00 42.92 42.67 3h0k s ASP 91 CO 0.01 -0.16 -0.06 -0.83 -0.17 0.00 0.00 175.17 173.95 3h0k s GLY 92 N 1.36 0.42 0.53 2.66 0.00 -1.25 0.95 107.32 111.99 3h0k s GLY 92 Ca -0.07 -0.17 -0.21 0.00 0.00 0.00 0.00 44.72 44.27 3h0k s GLY 92 CO -0.06 0.11 1.22 0.14 0.00 0.00 0.00 173.10 174.52 3h0k s VAL 93 N 0.42 2.73 -0.03 1.40 1.01 -0.79 -4.86 120.40 120.27 3h0k s VAL 93 Ca -0.06 0.51 0.05 0.00 0.00 0.00 0.00 61.98 62.48 3h0k s VAL 93 Cb -0.10 -3.24 -0.08 0.00 0.00 0.00 0.00 36.38 32.97 3h0k s VAL 93 CO 0.00 -0.04 0.07 0.54 0.00 0.00 0.00 175.10 175.67 3h0k n ARG 94 N -1.02 1.68 -4.12 2.72 5.12 -1.26 -4.55 116.66 115.24 3h0k n ARG 94 Ca 0.10 -0.03 -0.15 0.00 -1.93 0.00 0.00 57.85 55.85 3h0k n ARG 94 Cb 0.48 -1.13 -0.12 0.00 -1.16 0.00 0.00 32.46 30.52 3h0k n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3h0k s SER 95 N -3.15 0.89 0.60 0.55 1.04 -1.25 -0.42 113.70 111.96 3h0k s SER 95 Ca -0.02 -0.42 0.30 0.00 0.48 0.00 0.00 55.95 56.29 3h0k s SER 95 Cb 0.03 -0.01 1.77 0.00 0.10 0.00 0.00 66.02 67.91 3h0k s SER 95 CO 0.22 -0.11 2.17 -0.07 0.98 0.00 0.00 173.24 176.43 3h0k h LEU 96 N 4.93 0.00 -0.99 2.42 3.38 -1.84 -1.55 115.31 121.67 3h0k h LEU 96 Ca -0.34 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.73 3h0k h LEU 96 Cb 1.20 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.87 3h0k h LEU 96 CO 0.43 0.00 0.62 0.00 0.09 0.00 0.00 178.44 179.59 3h0k h ALA 97 N 1.84 1.45 0.08 1.53 0.00 -1.94 -0.45 119.26 121.78 3h0k h ALA 97 Ca 0.05 0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.70 3h0k h ALA 97 Cb 0.30 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.87 3h0k h ALA 97 CO -0.00 0.28 -1.14 0.93 0.00 0.00 0.00 179.25 179.32 3h0k h GLU 98 N 1.03 0.45 -0.00 0.00 5.08 -1.44 -2.63 114.58 117.07 3h0k h GLU 98 Ca 0.47 -0.59 0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3h0k h GLU 98 Cb 0.38 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 3h0k h GLU 98 CO -0.24 1.24 -0.14 0.28 -1.00 0.00 0.00 179.01 179.15 3h0k h VAL 99 N 0.20 0.64 -0.50 3.13 2.07 -1.28 -1.02 116.25 119.49 3h0k h VAL 99 Ca -0.14 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.47 3h0k h VAL 99 Cb 1.82 0.64 -0.10 0.00 -1.52 0.00 0.00 31.29 32.13 3h0k h VAL 99 CO 0.20 0.00 -0.34 -0.33 0.02 0.00 0.00 177.57 177.12 3h0k h GLU 100 N -0.24 -0.21 -0.24 1.57 3.07 -1.13 -1.31 114.58 116.09 3h0k h GLU 100 Ca 0.05 0.01 0.06 0.00 -0.50 0.00 0.00 59.36 58.98 3h0k h GLU 100 Cb 0.30 0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 28.19 3h0k h GLU 100 CO -0.14 -0.14 -0.21 0.93 -1.40 0.00 0.00 179.01 178.05 3h0k h GLU 101 N -0.21 -0.20 -0.28 2.33 4.39 -1.18 0.29 114.58 119.72 3h0k h GLU 101 Ca 0.20 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.96 3h0k h GLU 101 Cb 0.55 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.20 3h0k h GLU 101 CO -0.61 -0.14 -0.03 0.74 -1.16 0.00 0.00 179.01 177.81 3h0k h PHE 102 N -0.21 -0.06 -0.11 4.33 0.04 -0.74 -1.53 116.94 118.66 3h0k h PHE 102 Ca 0.14 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.96 3h0k h PHE 102 Cb 0.42 0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.61 3h0k h PHE 102 CO -0.37 -0.07 -0.09 0.87 -0.60 0.00 0.00 178.31 178.05 3h0k h LYS 103 N 0.05 -0.10 0.00 1.51 1.57 -0.82 0.89 116.57 119.68 3h0k h LYS 103 Ca 0.13 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3h0k h LYS 103 Cb 0.19 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3h0k h LYS 103 CO -0.25 -0.06 0.00 2.89 -0.57 0.00 0.00 179.45 181.46 3h0k n ARG 104 N -5.23 0.11 -0.00 3.15 1.85 0.05 0.69 116.66 117.29 3h0k n ARG 104 Ca -0.04 0.20 -0.00 0.00 -1.00 0.00 0.00 57.85 57.02 3h0k n ARG 104 Cb 0.15 -1.50 -0.00 0.00 -1.05 0.00 0.00 32.46 30.05 3h0k n ARG 104 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3h0k n LEU 105 N -1.27 0.00 0.00 2.89 4.77 -0.11 -4.78 117.00 118.50 3h0k n LEU 105 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3h0k n LEU 105 Cb 0.05 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3h0k n LEU 105 CO 0.05 0.01 0.31 0.18 -1.33 0.00 0.00 177.39 176.61 3h0k n LEU 106 N -1.86 1.21 0.00 2.23 4.77 0.29 -5.08 117.00 118.57 3h0k n LEU 106 Ca -0.01 -1.21 0.00 0.00 -0.03 0.00 0.00 56.01 54.76 3h0k n LEU 106 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3h0k n LEU 106 CO 0.01 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3h0k n GLY 107 N -0.15 -1.88 0.42 -0.72 0.00 0.22 -4.69 105.19 98.39 3h0k n GLY 107 Ca 0.00 -1.58 -0.16 0.00 0.00 0.00 0.00 46.02 44.28 3h0k n GLY 107 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3h0k h ASP 108 N 0.00 -0.98 -0.18 1.61 2.03 -1.96 -3.39 116.42 113.54 3h0k h ASP 108 Ca 0.00 0.05 -0.02 0.00 -0.73 0.00 0.00 57.03 56.33 3h0k h ASP 108 Cb 0.00 0.28 -0.00 0.00 -0.83 0.00 0.00 39.33 38.78 3h0k h ASP 108 CO 0.00 -0.62 0.06 -0.94 -1.03 0.00 0.00 179.24 176.72 3h0k s SER 109 N -3.69 3.57 -0.03 4.15 1.04 -1.26 -4.83 113.70 112.65 3h0k s SER 109 Ca -0.15 -0.70 0.01 0.00 0.48 0.00 0.00 55.95 55.58 3h0k s SER 109 Cb 0.02 -2.58 0.02 0.00 0.10 0.00 0.00 66.02 63.57 3h0k s SER 109 CO 0.48 -4.51 -0.03 -0.69 0.98 0.00 0.00 173.24 169.46 3h0k s VAL 110 N 16.38 0.35 -0.09 5.02 1.01 -1.26 -1.80 120.40 140.01 3h0k s VAL 110 Ca 0.84 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.76 3h0k s VAL 110 Cb -0.07 -0.39 0.02 0.00 0.00 0.00 0.00 36.38 35.94 3h0k s VAL 110 CO 0.15 0.16 -0.07 -0.31 0.00 0.00 0.00 175.10 175.03 3h0k s TYR 111 N 0.69 1.26 -0.38 5.22 1.51 0.10 -4.95 117.35 120.81 3h0k s TYR 111 Ca -0.08 -0.54 -0.21 0.00 -1.01 0.00 0.00 57.07 55.24 3h0k s TYR 111 Cb -0.11 -1.05 0.01 0.00 -0.11 0.00 0.00 41.96 40.69 3h0k s TYR 111 CO -0.01 -0.39 0.65 0.42 -1.11 0.00 0.00 175.55 175.12 3h0k s ILE 112 N 1.38 4.86 0.08 2.71 1.01 -1.26 0.17 121.20 130.15 3h0k s ILE 112 Ca -0.02 0.47 0.03 0.00 0.00 0.00 0.00 60.65 61.14 3h0k s ILE 112 Cb -0.14 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 3h0k s ILE 112 CO -0.04 -0.41 0.06 -0.69 0.00 0.00 0.00 174.94 173.86 3h0k s VAL 113 N 2.78 4.40 -0.01 2.92 1.01 0.17 -0.97 120.40 130.71 3h0k s VAL 113 Ca 0.24 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.41 3h0k s VAL 113 Cb -0.14 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.12 3h0k s VAL 113 CO 0.16 0.12 -0.02 0.00 0.00 0.00 0.00 175.10 175.36 3h0k s ALA 114 N -1.37 0.26 -0.22 5.51 0.00 -0.20 -1.51 121.76 124.22 3h0k s ALA 114 Ca 0.28 -0.07 -0.11 0.00 0.00 0.00 0.00 51.96 52.06 3h0k s ALA 114 Cb -0.12 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.85 3h0k s ALA 114 CO 0.21 0.04 0.17 0.08 0.00 0.00 0.00 175.76 176.26 3h0k s VAL 115 N 0.12 5.36 -0.14 0.00 1.01 -0.55 -0.38 120.40 125.83 3h0k s VAL 115 Ca -0.01 0.22 -0.07 0.00 0.00 0.00 0.00 61.98 62.12 3h0k s VAL 115 Cb -0.03 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 3h0k s VAL 115 CO -0.00 0.37 0.12 -2.28 0.00 0.00 0.00 175.10 173.30 3h0k s HIS 116 N 0.87 3.49 -0.06 5.22 2.46 0.24 -4.28 115.29 123.23 3h0k s HIS 116 Ca 0.09 0.42 -0.03 0.00 0.47 0.00 0.00 55.06 56.00 3h0k s HIS 116 Cb -0.13 -1.99 0.03 0.00 -0.13 0.00 0.00 32.58 30.36 3h0k s HIS 116 CO 0.03 0.56 0.14 -1.12 -2.47 0.00 0.00 174.74 171.88 3h0k s SER 117 N -0.57 -0.11 0.38 9.88 0.01 -1.26 0.86 113.70 122.89 3h0k s SER 117 Ca 0.12 0.29 -0.25 0.00 1.31 0.00 0.00 55.95 57.42 3h0k s SER 117 Cb -0.12 0.20 -0.12 0.00 0.21 0.00 0.00 66.02 66.20 3h0k s SER 117 CO 0.02 -0.12 0.94 -2.65 0.41 0.00 0.00 173.24 171.84 3h0k n PRO 118 N 3.93 1.23 -0.19 12.44 -0.02 -1.26 -4.60 135.00 146.52 3h0k n PRO 118 Ca -0.23 0.44 -0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3h0k n PRO 118 Cb 0.53 -1.90 0.08 0.00 -0.02 0.00 0.00 33.50 32.20 3h0k n PRO 118 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3h0k h PRO 119 N 1.55 0.09 -0.48 0.52 0.11 -2.01 0.39 132.00 132.17 3h0k h PRO 119 Ca -0.42 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.73 3h0k h PRO 119 Cb 1.35 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.40 3h0k h PRO 119 CO 0.57 0.06 0.23 0.87 -0.21 0.00 0.00 178.00 179.52 3h0k h LYS 120 N 0.09 0.44 0.24 1.05 6.56 -2.00 -0.35 116.57 122.60 3h0k h LYS 120 Ca 0.30 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.87 3h0k h LYS 120 Cb 0.48 -0.10 -0.04 0.00 -0.57 0.00 0.00 32.23 32.01 3h0k h LYS 120 CO -0.53 0.29 -0.49 0.82 -2.06 0.00 0.00 179.45 177.48 3h0k h ILE 121 N 0.46 0.00 -1.02 1.86 1.08 -1.73 -2.53 117.51 115.63 3h0k h ILE 121 Ca 0.21 0.00 0.25 0.00 -0.39 0.00 0.00 64.86 64.93 3h0k h ILE 121 Cb 0.13 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 33.77 3h0k h ILE 121 CO -0.16 0.00 0.63 0.03 -0.69 0.00 0.00 178.15 177.96 3h0k h ARG 122 N -0.79 0.51 0.01 2.37 3.08 0.74 -2.49 114.38 117.81 3h0k h ARG 122 Ca -0.02 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 3h0k h ARG 122 Cb 0.75 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3h0k h ARG 122 CO -0.20 0.34 -0.00 1.88 -1.07 0.00 0.00 179.97 180.91 3h0k h TYR 123 N 0.52 -0.01 -0.97 3.04 0.05 -1.03 -2.52 116.97 116.04 3h0k h TYR 123 Ca 0.62 -0.00 0.32 0.00 0.05 0.00 0.00 58.73 59.72 3h0k h TYR 123 Cb 1.31 0.00 -0.16 0.00 1.01 0.00 0.00 36.73 38.90 3h0k h TYR 123 CO -0.00 0.76 0.43 -0.22 -1.05 0.00 0.00 178.16 178.07 3h0k h LYS 124 N -0.97 0.18 0.02 4.88 3.64 -1.10 0.59 116.57 123.82 3h0k h LYS 124 Ca -0.00 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3h0k h LYS 124 Cb 0.78 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3h0k h LYS 124 CO 0.00 0.12 -0.01 -0.09 -2.27 0.00 0.00 179.45 177.20 3h0k h ARG 125 N 0.19 -0.03 -1.02 1.90 2.43 -1.52 -2.53 114.38 113.80 3h0k h ARG 125 Ca 0.71 0.00 0.25 0.00 -0.81 0.00 0.00 59.98 60.13 3h0k h ARG 125 Cb 1.64 0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 31.09 3h0k h ARG 125 CO -0.69 -0.02 0.65 0.52 -1.51 0.00 0.00 179.97 178.91 3h0k h MET 126 N -0.03 0.46 0.25 0.20 2.86 -0.59 0.24 114.93 118.32 3h0k h MET 126 Ca -0.00 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3h0k h MET 126 Cb 0.03 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.59 3h0k h MET 126 CO 0.01 0.30 -0.12 0.82 1.06 0.00 0.00 176.91 178.97 3h0k h ILE 127 N 0.47 0.79 0.00 -1.22 2.04 -1.03 -3.51 117.51 115.05 3h0k h ILE 127 Ca 0.59 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 66.12 3h0k h ILE 127 Cb 1.37 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 3h0k h ILE 127 CO -0.33 0.07 0.03 -0.62 0.00 0.00 0.00 178.15 177.30 3h0k n GLU 128 N -5.17 0.48 0.00 2.37 1.02 0.85 -5.12 120.64 115.07 3h0k n GLU 128 Ca -0.09 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 3h0k n GLU 128 Cb 0.21 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 3h0k n GLU 128 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3h0k n GLU 137 N 2.02 0.00 -0.32 3.49 4.07 -1.26 -5.02 120.64 123.61 3h0k n GLU 137 Ca 0.04 0.00 0.19 0.00 -0.06 0.00 0.00 57.16 57.33 3h0k n GLU 137 Cb 0.23 0.00 0.37 0.00 -0.06 0.00 0.00 31.44 31.98 3h0k n GLU 137 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 3h0k n ILE 138 N 0.00 -0.40 0.06 6.31 5.41 -1.26 0.47 119.36 129.94 3h0k n ILE 138 Ca 0.00 2.06 -0.14 0.00 1.00 0.00 0.00 62.75 65.67 3h0k n ILE 138 Cb 0.00 -3.11 -0.07 0.00 -0.71 0.00 0.00 39.64 35.74 3h0k n ILE 138 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 3h0k h SER 139 N 0.00 -1.36 -0.83 4.38 4.64 -2.06 -1.75 113.55 116.58 3h0k h SER 139 Ca 0.66 0.16 0.19 0.00 -0.47 0.00 0.00 61.79 62.33 3h0k h SER 139 Cb 1.50 0.53 -0.12 0.00 -0.31 0.00 0.00 62.40 64.00 3h0k h SER 139 CO -0.85 -0.47 0.29 -0.33 -0.87 0.00 0.00 176.83 174.60 3h0k h GLU 140 N -0.60 0.34 -0.06 4.77 3.07 -0.42 0.08 114.58 121.76 3h0k h GLU 140 Ca 0.04 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.80 3h0k h GLU 140 Cb 0.67 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 3h0k h GLU 140 CO -0.33 0.22 -0.35 -0.07 -1.40 0.00 0.00 179.01 177.08 3h0k h LEU 141 N 0.35 0.11 -0.49 1.33 3.38 -1.07 -1.07 115.31 117.86 3h0k h LEU 141 Ca 0.49 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 58.25 3h0k h LEU 141 Cb 0.89 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3h0k h LEU 141 CO -0.52 0.46 -0.67 0.40 0.09 0.00 0.00 178.44 178.20 3h0k h ILE 142 N 0.10 1.37 -0.52 1.22 2.04 -0.23 -2.81 117.51 118.68 3h0k h ILE 142 Ca 0.01 -2.05 -0.06 0.00 1.00 0.00 0.00 64.86 63.76 3h0k h ILE 142 Cb 0.68 2.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 3h0k h ILE 142 CO 0.05 0.62 0.08 0.03 0.00 0.00 0.00 178.15 178.93 3h0k h ARG 143 N 0.27 0.82 0.00 2.37 3.08 -0.72 -0.50 114.38 119.70 3h0k h ARG 143 Ca -0.02 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 3h0k h ARG 143 Cb 1.22 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.16 3h0k h ARG 143 CO 0.11 0.77 -0.07 0.00 -1.07 0.00 0.00 179.97 179.72 3h0k h ARG 144 N 0.78 0.00 0.00 0.04 2.47 -1.09 0.45 114.38 117.02 3h0k h ARG 144 Ca 0.16 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.88 3h0k h ARG 144 Cb 0.36 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.68 3h0k h ARG 144 CO 0.01 0.07 -0.03 -0.44 0.56 0.00 0.00 179.97 180.13 3h0k h ASP 145 N 0.00 0.00 -0.92 7.04 3.32 -1.19 -2.77 116.42 121.89 3h0k h ASP 145 Ca -0.00 -0.73 0.24 0.00 0.02 0.00 0.00 57.03 56.56 3h0k h ASP 145 Cb 0.55 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 39.93 3h0k h ASP 145 CO 0.01 0.88 0.00 0.03 -1.72 0.00 0.00 179.24 178.44 3h0k h ARG 146 N -1.00 0.04 0.30 3.56 -0.00 -0.80 0.12 114.38 116.60 3h0k h ARG 146 Ca -0.01 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.46 3h0k h ARG 146 Cb 0.75 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.71 3h0k h ARG 146 CO -0.00 0.03 -0.15 0.93 0.00 0.00 0.00 179.97 180.78 3h0k h GLU 147 N 0.04 -0.39 -0.67 0.04 5.08 -1.01 -2.31 114.58 115.37 3h0k h GLU 147 Ca 0.53 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 59.05 3h0k h GLU 147 Cb 1.04 0.09 -0.09 0.00 0.50 0.00 0.00 28.75 30.28 3h0k h GLU 147 CO -0.85 -0.16 0.17 1.49 -1.00 0.00 0.00 179.01 178.65 3h0k h GLU 148 N -0.56 0.28 -0.29 2.33 4.57 -0.56 -0.17 114.58 120.18 3h0k h GLU 148 Ca -0.04 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.05 3h0k h GLU 148 Cb 0.41 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 3h0k h GLU 148 CO 0.07 0.19 -0.12 -0.07 -1.18 0.00 0.00 179.01 177.90 3h0k h LEU 149 N 0.29 0.47 -1.13 1.64 3.38 -0.99 -0.86 115.31 118.12 3h0k h LEU 149 Ca 0.36 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3h0k h LEU 149 Cb 0.56 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3h0k h LEU 149 CO -0.44 0.63 0.00 0.29 0.09 0.00 0.00 178.44 179.01 3h0k n LYS 150 N -4.21 0.16 0.00 1.13 5.02 -0.11 0.25 118.16 120.41 3h0k n LYS 150 Ca 0.01 0.55 0.13 0.00 -2.02 0.00 0.00 58.31 56.98 3h0k n LYS 150 Cb 0.32 -1.92 0.43 0.00 -0.02 0.00 0.00 35.03 33.83 3h0k n LYS 150 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3h0k n LEU 151 N -2.25 1.58 0.00 -0.35 4.77 -0.33 -4.95 117.00 115.47 3h0k n LEU 151 Ca -0.00 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 3h0k n LEU 151 Cb 0.11 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3h0k n LEU 151 CO 0.14 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3h0k n GLY 152 N 1.24 0.52 0.28 -0.72 0.00 0.14 -3.89 105.19 102.76 3h0k n GLY 152 Ca 0.17 -0.87 0.06 0.00 0.00 0.00 0.00 46.02 45.38 3h0k n GLY 152 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3h0k h ILE 153 N 0.00 1.05 -0.55 -0.61 2.10 -0.82 -2.45 117.51 116.24 3h0k h ILE 153 Ca 0.00 -0.10 0.11 0.00 1.08 0.00 0.00 64.86 65.95 3h0k h ILE 153 Cb 0.12 0.81 -0.09 0.00 -1.09 0.00 0.00 36.82 36.57 3h0k h ILE 153 CO 0.00 0.05 0.03 1.23 -1.08 0.00 0.00 178.15 178.38 3h0k h GLY 154 N 0.24 0.60 1.56 8.18 0.00 -1.84 0.82 103.07 112.64 3h0k h GLY 154 Ca 0.06 0.04 -0.15 0.00 0.00 0.00 0.00 47.33 47.28 3h0k h GLY 154 CO -0.01 -0.14 -0.53 0.83 0.00 0.00 0.00 176.54 176.69 3h0k h GLU 155 N 0.15 0.46 0.40 4.80 5.08 -1.81 0.24 114.58 123.91 3h0k h GLU 155 Ca 0.28 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3h0k h GLU 155 Cb 0.43 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3h0k h GLU 155 CO -0.43 0.88 -0.31 0.28 -1.00 0.00 0.00 179.01 178.42 3h0k h VAL 156 N 0.36 0.35 -0.47 3.13 2.07 -1.24 0.40 116.25 120.85 3h0k h VAL 156 Ca 0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.59 3h0k h VAL 156 Cb 1.04 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 3h0k h VAL 156 CO 0.09 0.00 0.19 0.40 0.02 0.00 0.00 177.57 178.27 3h0k h ILE 157 N -0.71 0.88 -0.70 4.57 2.04 -0.48 -1.04 117.51 122.07 3h0k h ILE 157 Ca -0.04 -0.13 0.15 0.00 1.00 0.00 0.00 64.86 65.85 3h0k h ILE 157 Cb 0.62 0.47 -0.11 0.00 -0.74 0.00 0.00 36.82 37.06 3h0k h ILE 157 CO -0.01 0.07 0.12 0.00 0.00 0.00 0.00 178.15 178.33 3h0k h ALA 158 N 1.30 0.85 -0.39 1.87 0.00 -0.24 -1.25 119.26 121.39 3h0k h ALA 158 Ca 0.22 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3h0k h ALA 158 Cb 0.20 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3h0k h ALA 158 CO -0.21 -0.36 0.00 -1.33 0.00 0.00 0.00 179.25 177.36 3h0k n MET 159 N -5.20 2.02 -1.76 0.00 2.81 0.14 -4.97 117.12 110.17 3h0k n MET 159 Ca 0.13 -1.44 -0.41 0.00 -1.81 0.00 0.00 57.70 54.17 3h0k n MET 159 Cb 0.43 -1.36 0.01 0.00 -0.71 0.00 0.00 33.22 31.59 3h0k n MET 159 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3h0k n ALA 160 N 0.62 2.03 0.06 3.04 0.00 -0.48 -4.95 120.51 120.84 3h0k n ALA 160 Ca 0.13 0.30 -0.12 0.00 0.00 0.00 0.00 53.44 53.75 3h0k n ALA 160 Cb 0.37 -2.38 -0.08 0.00 0.00 0.00 0.00 19.45 17.36 3h0k n ALA 160 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3h0k h ASP 161 N 2.55 -0.19 -4.26 0.00 5.19 -1.39 -3.45 116.42 114.87 3h0k h ASP 161 Ca -0.50 -0.34 -0.68 0.00 -0.62 0.00 0.00 57.03 54.88 3h0k h ASP 161 Cb 1.26 0.05 -0.26 0.00 0.18 0.00 0.00 39.33 40.56 3h0k h ASP 161 CO 0.62 0.31 -0.88 -0.31 -3.12 0.00 0.00 179.24 175.87 3h0k s TYR 162 N -3.90 2.26 -0.30 4.55 2.02 -1.08 -5.05 117.35 115.86 3h0k s TYR 162 Ca -0.14 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.16 3h0k s TYR 162 Cb 0.01 -1.34 0.09 0.00 -0.40 0.00 0.00 41.96 40.32 3h0k s TYR 162 CO 0.54 0.14 0.06 0.42 -1.57 0.00 0.00 175.55 175.15 3h0k s ILE 163 N -0.83 1.27 -0.14 2.71 1.01 -1.26 -1.03 121.20 122.93 3h0k s ILE 163 Ca 0.11 -1.56 -0.24 0.00 0.00 0.00 0.00 60.65 58.96 3h0k s ILE 163 Cb -0.10 -1.90 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 3h0k s ILE 163 CO 0.02 -0.57 0.77 -0.63 0.00 0.00 0.00 174.94 174.54 3h0k s ILE 164 N 1.43 4.95 0.24 2.92 1.01 0.49 -4.93 121.20 127.31 3h0k s ILE 164 Ca 0.08 1.53 -0.09 0.00 0.00 0.00 0.00 60.65 62.17 3h0k s ILE 164 Cb -0.18 -4.09 -0.07 0.00 0.01 0.00 0.00 42.46 38.13 3h0k s ILE 164 CO -0.18 0.11 0.56 0.42 0.00 0.00 0.00 174.94 175.84 3h0k s THR 165 N 1.69 4.93 -0.70 2.92 -4.23 -1.26 -0.60 115.64 118.40 3h0k s THR 165 Ca 0.37 0.44 0.05 0.00 -1.18 0.00 0.00 61.69 61.38 3h0k s THR 165 Cb -0.17 -3.63 0.18 0.00 1.34 0.00 0.00 72.50 70.22 3h0k s THR 165 CO 0.14 -0.10 0.53 -3.20 -0.54 0.00 0.00 174.62 171.45 3h0k n ASN 166 N -0.23 3.09 -2.34 3.99 5.15 0.25 -4.82 115.26 120.35 3h0k n ASN 166 Ca 0.00 -3.24 -0.03 0.00 -0.60 0.00 0.00 54.58 50.72 3h0k n ASN 166 Cb 0.53 -0.75 0.02 0.00 -0.53 0.00 0.00 39.78 39.04 3h0k n ASN 166 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3h0k n ASP 167 N 1.81 0.18 -4.13 1.20 10.43 -1.26 -4.68 116.55 120.11 3h0k n ASP 167 Ca 0.21 -1.15 -0.36 0.00 2.57 0.00 0.00 54.79 56.06 3h0k n ASP 167 Cb 0.36 -0.08 0.05 0.00 1.84 0.00 0.00 41.12 43.28 3h0k n ASP 167 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 3h0k n SER 168 N -2.98 -4.81 -1.38 -2.24 3.41 -1.26 -4.72 113.62 99.64 3h0k n SER 168 Ca 0.02 0.31 -0.00 0.00 -0.26 0.00 0.00 58.87 58.94 3h0k n SER 168 Cb 0.08 -0.86 -0.00 0.00 -0.26 0.00 0.00 64.21 63.16 3h0k n SER 168 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3h0k n ASN 169 N 2.47 -2.72 0.11 4.04 3.02 -1.26 -4.56 115.26 116.36 3h0k n ASN 169 Ca 0.02 0.28 0.05 0.00 -0.03 0.00 0.00 54.58 54.89 3h0k n ASN 169 Cb 0.54 -1.69 0.48 0.00 -0.61 0.00 0.00 39.78 38.49 3h0k n ASN 169 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3h0k h TYR 170 N 0.69 0.29 0.27 3.10 3.20 -1.97 0.62 116.97 123.17 3h0k h TYR 170 Ca -0.03 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 3h0k h TYR 170 Cb 0.07 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.24 3h0k h TYR 170 CO 0.00 0.25 -0.17 0.93 -1.64 0.00 0.00 178.16 177.52 3h0k h GLU 171 N 0.30 -0.42 -0.14 1.82 3.07 -1.97 1.22 114.58 118.47 3h0k h GLU 171 Ca 0.08 0.03 -0.17 0.00 -0.50 0.00 0.00 59.36 58.79 3h0k h GLU 171 Cb 0.08 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 3h0k h GLU 171 CO -0.01 -0.28 -0.62 0.93 -1.40 0.00 0.00 179.01 177.63 3h0k h GLU 172 N -0.43 0.50 -0.11 2.33 4.39 -1.79 -1.75 114.58 117.72 3h0k h GLU 172 Ca -0.03 -0.35 0.01 0.00 0.34 0.00 0.00 59.36 59.33 3h0k h GLU 172 Cb 0.36 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 3h0k h GLU 172 CO 0.02 0.97 0.05 0.35 -1.16 0.00 0.00 179.01 179.24 3h0k h PHE 173 N 0.37 0.10 -0.33 4.33 3.57 -0.69 -2.24 116.94 122.04 3h0k h PHE 173 Ca -0.01 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.54 3h0k h PHE 173 Cb 1.18 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.85 3h0k h PHE 173 CO 0.05 0.06 0.10 0.87 -2.23 0.00 0.00 178.31 177.15 3h0k h LYS 174 N 0.12 0.23 -0.98 1.11 1.79 0.16 -2.06 116.57 116.94 3h0k h LYS 174 Ca 0.05 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.54 3h0k h LYS 174 Cb 0.01 -0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 30.55 3h0k h LYS 174 CO -0.03 0.15 0.64 0.07 -1.08 0.00 0.00 179.45 179.20 3h0k h ARG 175 N 0.24 1.21 -0.02 3.15 -0.00 -1.11 -0.10 114.38 117.76 3h0k h ARG 175 Ca 0.15 -0.07 -0.11 0.00 -0.00 0.00 0.00 59.98 59.95 3h0k h ARG 175 Cb 0.13 -0.27 -0.01 0.00 -0.00 0.00 0.00 29.97 29.82 3h0k h ARG 175 CO -0.17 0.80 -0.49 0.07 -0.00 0.00 0.00 179.97 180.19 3h0k h ARG 176 N 1.25 0.04 -0.13 0.08 0.11 -1.25 -2.25 114.38 112.23 3h0k h ARG 176 Ca 0.39 -0.02 -0.02 0.00 0.10 0.00 0.00 59.98 60.43 3h0k h ARG 176 Cb -0.02 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.06 3h0k h ARG 176 CO -0.12 0.52 0.02 0.00 0.10 0.00 0.00 179.97 180.49 3h0k h GLU 178 N -0.01 -0.15 -0.85 0.00 3.07 -1.24 -0.75 114.58 114.64 3h0k h GLU 178 Ca 0.04 0.01 0.14 0.00 -0.50 0.00 0.00 59.36 59.05 3h0k h GLU 178 Cb 0.31 0.03 -0.15 0.00 -0.84 0.00 0.00 28.75 28.11 3h0k h GLU 178 CO 0.00 -0.10 -0.36 1.05 -1.40 0.00 0.00 179.01 178.20 3h0k h GLU 179 N -0.16 -0.05 0.45 2.33 -0.00 -1.34 -0.74 114.58 115.07 3h0k h GLU 179 Ca 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.38 3h0k h GLU 179 Cb 0.21 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 28.97 3h0k h GLU 179 CO -0.10 -0.04 -0.22 0.28 -0.00 0.00 0.00 179.01 178.93 3h0k h VAL 180 N -0.06 0.29 -0.83 -1.06 2.07 -1.28 -1.63 116.25 113.75 3h0k h VAL 180 Ca 0.31 -0.56 0.14 0.00 0.82 0.00 0.00 66.70 67.41 3h0k h VAL 180 Cb 0.58 0.43 -0.15 0.00 -1.52 0.00 0.00 31.29 30.64 3h0k h VAL 180 CO -0.88 0.06 -0.34 0.71 0.02 0.00 0.00 177.57 177.14 3h0k h THR 181 N -1.05 0.08 -0.01 2.57 1.35 -0.74 1.05 112.91 116.17 3h0k h THR 181 Ca -0.06 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.80 3h0k h THR 181 Cb 0.56 0.08 -0.00 0.00 -1.73 0.00 0.00 68.15 67.06 3h0k h THR 181 CO 0.10 0.00 0.00 0.44 -0.25 0.00 0.00 175.52 175.82 3h0k h ASP 182 N -0.06 0.01 -0.60 5.36 3.45 -1.19 0.28 116.42 123.67 3h0k h ASP 182 Ca 0.32 -0.14 0.12 0.00 0.43 0.00 0.00 57.03 57.76 3h0k h ASP 182 Cb 0.59 -0.00 -0.12 0.00 -0.56 0.00 0.00 39.33 39.24 3h0k h ASP 182 CO -0.87 0.15 -0.17 0.03 -1.57 0.00 0.00 179.24 176.81 3h0k h ARG 183 N -0.12 -0.02 -0.39 3.56 2.47 -0.12 -2.25 114.38 117.51 3h0k h ARG 183 Ca 0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 3h0k h ARG 183 Cb 0.14 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.44 3h0k h ARG 183 CO -0.00 -0.01 0.19 -0.24 0.56 0.00 0.00 179.97 180.47 3h0k h VAL 184 N -0.02 1.17 0.00 2.04 3.04 0.23 -3.51 116.25 119.20 3h0k h VAL 184 Ca 0.29 -0.47 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 3h0k h VAL 184 Cb 0.46 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 30.50 3h0k h VAL 184 CO -0.63 0.18 0.00 0.18 -1.01 0.00 0.00 177.57 176.29