#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hao s ARG 7 N 0.00 4.19 0.58 1.61 0.52 -1.26 -4.90 118.95 119.69 3hao s ARG 7 Ca 0.00 2.11 0.27 0.00 -0.52 0.00 0.00 55.73 57.59 3hao s ARG 7 Cb 0.00 -2.90 1.63 0.00 0.52 0.00 0.00 34.95 34.19 3hao s ARG 7 CO 0.00 -0.29 2.12 -1.00 0.02 0.00 0.00 175.30 176.15 3hao h PRO 8 N 3.04 0.00 0.00 3.54 0.13 -2.01 -2.35 132.00 134.35 3hao h PRO 8 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3hao h PRO 8 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3hao h PRO 8 CO 0.64 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.56 3hao n GLU 9 N -3.92 0.24 -0.08 0.86 0.00 -1.26 -3.88 120.64 112.59 3hao n GLU 9 Ca 0.01 0.07 0.13 0.00 0.00 0.00 0.00 57.16 57.37 3hao n GLU 9 Cb 0.28 -1.50 0.52 0.00 0.00 0.00 0.00 31.44 30.74 3hao n GLU 9 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.13 177.24 3hao h TRP 10 N 0.00 0.40 -0.53 -1.84 5.08 -1.80 -1.56 115.95 115.70 3hao h TRP 10 Ca 0.00 0.01 -0.04 0.00 1.08 0.00 0.00 58.89 59.94 3hao h TRP 10 Cb 0.28 -0.13 -0.02 0.00 -3.00 0.00 0.00 29.16 26.28 3hao h TRP 10 CO 0.00 0.19 0.16 0.97 -1.28 0.00 0.00 178.44 178.48 3hao h ILE 11 N 0.37 1.21 0.00 0.12 6.09 -1.82 -1.06 117.51 122.42 3hao h ILE 11 Ca 0.28 -0.72 -0.13 0.00 -1.37 0.00 0.00 64.86 62.93 3hao h ILE 11 Cb 0.60 0.63 -0.02 0.00 0.47 0.00 0.00 36.82 38.50 3hao h ILE 11 CO -0.07 0.27 -0.60 -0.50 -3.07 0.00 0.00 178.15 174.18 3hao h TRP 12 N 0.76 0.00 0.00 2.19 -0.00 -1.58 -2.18 115.95 115.15 3hao h TRP 12 Ca 0.18 0.00 -0.12 0.00 -0.00 0.00 0.00 58.89 58.94 3hao h TRP 12 Cb 0.23 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.37 3hao h TRP 12 CO 0.01 0.60 -0.58 -0.07 -0.00 0.00 0.00 178.44 178.40 3hao h LEU 13 N 0.00 0.00 -0.04 -4.49 3.38 -1.13 -1.43 115.31 111.60 3hao h LEU 13 Ca -0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 3hao h LEU 13 Cb 1.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 3hao h LEU 13 CO 0.08 0.58 -1.04 0.00 0.09 0.00 0.00 178.44 178.15 3hao h ALA 14 N 1.42 0.33 0.12 1.53 0.00 -1.01 -2.29 119.26 119.36 3hao h ALA 14 Ca -0.01 -0.86 -0.27 0.00 0.00 0.00 0.00 54.91 53.77 3hao h ALA 14 Cb 1.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3hao h ALA 14 CO 0.08 1.10 -1.25 -0.07 0.00 0.00 0.00 179.25 179.10 3hao h LEU 15 N 0.04 0.40 -0.59 0.00 3.38 -1.32 -2.56 115.31 114.67 3hao h LEU 15 Ca -0.05 -0.44 -0.15 0.00 0.09 0.00 0.00 57.88 57.33 3hao h LEU 15 Cb 1.76 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.37 3hao h LEU 15 CO 0.15 1.34 -0.66 1.23 0.09 0.00 0.00 178.44 180.59 3hao h GLY 16 N 1.67 0.21 0.82 0.83 0.00 -1.34 -0.83 103.07 104.43 3hao h GLY 16 Ca -0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 3hao h GLY 16 CO 0.20 0.25 -0.06 -0.84 0.00 0.00 0.00 176.54 176.08 3hao h THR 17 N 0.13 0.97 0.11 4.70 2.02 -1.45 -1.60 112.91 117.78 3hao h THR 17 Ca -0.01 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 3hao h THR 17 Cb 1.19 1.22 -0.00 0.00 -1.74 0.00 0.00 68.15 68.82 3hao h THR 17 CO 0.10 0.09 -0.07 0.00 0.37 0.00 0.00 175.52 176.02 3hao h ALA 18 N 0.48 -0.16 -0.56 6.16 0.00 -1.43 -0.18 119.26 123.57 3hao h ALA 18 Ca -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3hao h ALA 18 Cb 0.29 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3hao h ALA 18 CO 0.03 -0.60 0.31 -0.07 0.00 0.00 0.00 179.25 178.92 3hao h LEU 19 N -0.17 0.70 -0.63 0.00 3.38 -1.17 0.04 115.31 117.46 3hao h LEU 19 Ca -0.01 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 3hao h LEU 19 Cb 0.15 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3hao h LEU 19 CO 0.01 0.59 -0.13 0.24 0.09 0.00 0.00 178.44 179.24 3hao h MET 20 N 0.76 0.94 -0.09 1.13 2.86 -1.23 -1.12 114.93 118.17 3hao h MET 20 Ca 0.20 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 3hao h MET 20 Cb 0.05 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 3hao h MET 20 CO -0.03 1.01 -0.00 0.78 1.06 0.00 0.00 176.91 179.72 3hao h GLY 21 N 0.95 0.17 0.64 8.32 0.00 -0.79 -0.72 103.07 111.63 3hao h GLY 21 Ca 0.13 -0.13 0.02 0.00 0.00 0.00 0.00 47.33 47.35 3hao h GLY 21 CO 0.05 0.12 -0.21 1.41 0.00 0.00 0.00 176.54 177.91 3hao h LEU 22 N -0.12 -0.58 -1.28 3.11 3.38 -0.95 -2.11 115.31 116.76 3hao h LEU 22 Ca 0.03 0.07 0.17 0.00 0.09 0.00 0.00 57.88 58.23 3hao h LEU 22 Cb 0.35 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.25 3hao h LEU 22 CO 0.00 -0.29 0.59 1.23 0.09 0.00 0.00 178.44 180.06 3hao h GLY 23 N -0.39 1.25 0.67 0.83 0.00 -1.11 -0.33 103.07 103.98 3hao h GLY 23 Ca 0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 3hao h GLY 23 CO -0.12 0.04 -0.07 -0.84 0.00 0.00 0.00 176.54 175.56 3hao h THR 24 N 0.65 1.01 -0.27 4.70 2.02 -0.74 -2.38 112.91 117.91 3hao h THR 24 Ca 0.48 -0.69 0.05 0.00 0.77 0.00 0.00 66.41 67.02 3hao h THR 24 Cb 0.86 1.44 -0.05 0.00 -1.74 0.00 0.00 68.15 68.66 3hao h THR 24 CO -0.23 0.16 -0.02 -0.07 0.37 0.00 0.00 175.52 175.73 3hao h LEU 25 N -0.51 -0.15 -0.61 2.58 3.38 -0.72 0.49 115.31 119.76 3hao h LEU 25 Ca -0.02 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.08 3hao h LEU 25 Cb 0.40 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 3hao h LEU 25 CO 0.03 -0.04 0.32 0.22 0.09 0.00 0.00 178.44 179.06 3hao h TYR 26 N 0.05 0.58 -0.35 1.13 3.20 -1.08 0.42 116.97 120.93 3hao h TYR 26 Ca 0.13 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.90 3hao h TYR 26 Cb 0.18 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3hao h TYR 26 CO -0.23 0.27 -0.27 0.74 -1.64 0.00 0.00 178.16 177.03 3hao h PHE 27 N 0.60 0.83 -0.04 -3.82 0.04 -1.05 -2.23 116.94 111.26 3hao h PHE 27 Ca 0.28 -0.20 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 3hao h PHE 27 Cb 0.19 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.14 3hao h PHE 27 CO -0.09 0.91 0.01 1.25 -0.60 0.00 0.00 178.31 179.79 3hao h LEU 28 N 0.62 0.06 -0.36 1.54 5.85 -0.43 0.22 115.31 122.81 3hao h LEU 28 Ca 0.08 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.63 3hao h LEU 28 Cb 0.78 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.75 3hao h LEU 28 CO 0.06 0.26 0.10 0.58 -0.34 0.00 0.00 178.44 179.10 3hao h VAL 29 N -0.14 0.85 -0.30 1.05 2.07 -0.80 -0.53 116.25 118.44 3hao h VAL 29 Ca 0.01 -0.08 -0.13 0.00 0.82 0.00 0.00 66.70 67.33 3hao h VAL 29 Cb 0.22 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3hao h VAL 29 CO -0.00 0.04 -0.33 0.11 0.02 0.00 0.00 177.57 177.41 3hao h LYS 30 N 0.23 0.66 -0.20 1.57 1.79 -1.37 -3.17 116.57 116.08 3hao h LYS 30 Ca 0.17 -0.31 -0.01 0.00 -2.18 0.00 0.00 60.65 58.32 3hao h LYS 30 Cb 0.18 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 3hao h LYS 30 CO -0.20 0.90 0.07 0.78 -1.08 0.00 0.00 179.45 179.91 3hao h GLY 31 N 1.00 0.33 2.00 3.86 0.00 0.11 -2.72 103.07 107.65 3hao h GLY 31 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3hao h GLY 31 CO 0.07 0.18 0.00 1.03 0.00 0.00 0.00 176.54 177.82 3hao n MET 32 N -4.81 0.02 0.06 4.80 2.81 -0.27 -2.52 117.12 117.21 3hao n MET 32 Ca -0.04 0.23 -0.00 0.00 -1.81 0.00 0.00 57.70 56.08 3hao n MET 32 Cb 0.14 -1.53 -0.06 0.00 -0.71 0.00 0.00 33.22 31.06 3hao n MET 32 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3hao h GLY 33 N 2.84 0.00 -3.87 3.03 0.00 -1.45 -3.46 103.07 100.15 3hao h GLY 33 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 3hao h GLY 33 CO 0.00 0.00 0.29 0.54 0.00 0.00 0.00 176.54 177.37 3hao s VAL 34 N -2.90 4.18 -0.23 4.60 0.11 -1.05 -4.98 120.40 120.13 3hao s VAL 34 Ca -0.01 1.95 0.15 0.00 -2.93 0.00 0.00 61.98 61.14 3hao s VAL 34 Cb 0.08 -4.26 -0.22 0.00 -1.53 0.00 0.00 36.38 30.46 3hao s VAL 34 CO 0.80 0.50 0.43 -1.54 -3.33 0.00 0.00 175.10 171.95 3hao n SER 35 N 1.51 1.24 -4.69 3.54 3.41 -1.26 -4.87 113.62 112.50 3hao n SER 35 Ca -0.03 -0.26 -0.42 0.00 -0.26 0.00 0.00 58.87 57.90 3hao n SER 35 Cb 0.48 1.49 -0.03 0.00 -0.26 0.00 0.00 64.21 65.89 3hao n SER 35 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hao s ASP 36 N -3.37 6.51 0.15 4.04 2.15 -1.26 -4.90 116.67 119.99 3hao s ASP 36 Ca -0.02 2.63 -0.22 0.00 0.43 0.00 0.00 52.55 55.37 3hao s ASP 36 Cb 0.10 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 40.17 3hao s ASP 36 CO 0.63 -0.94 1.64 -0.65 -0.17 0.00 0.00 175.17 175.69 3hao h PRO 37 N 8.24 -0.23 -0.53 4.34 0.11 -1.97 0.51 132.00 142.47 3hao h PRO 37 Ca -0.44 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 3hao h PRO 37 Cb 1.21 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 3hao h PRO 37 CO 0.94 -0.15 0.29 -0.44 -0.21 0.00 0.00 178.00 178.43 3hao h ASP 38 N -0.24 0.66 -0.19 -2.05 3.32 -1.91 -2.51 116.42 113.51 3hao h ASP 38 Ca 0.13 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 3hao h ASP 38 Cb 0.43 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3hao h ASP 38 CO -0.35 0.56 -0.06 0.00 -1.72 0.00 0.00 179.24 177.66 3hao h ALA 39 N 1.13 1.29 0.00 3.45 0.00 -1.13 -2.13 119.26 121.87 3hao h ALA 39 Ca 0.19 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3hao h ALA 39 Cb 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3hao h ALA 39 CO -0.03 0.48 -0.28 0.87 0.00 0.00 0.00 179.25 180.29 3hao h LYS 40 N 0.50 0.00 -0.35 0.00 1.57 -0.48 -1.47 116.57 116.34 3hao h LYS 40 Ca 0.10 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.75 3hao h LYS 40 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3hao h LYS 40 CO 0.02 0.28 -0.27 0.87 -0.57 0.00 0.00 179.45 179.78 3hao h LYS 41 N 0.00 0.80 -0.40 3.15 1.79 -1.03 0.31 116.57 121.19 3hao h LYS 41 Ca -0.00 -0.39 -0.06 0.00 -2.18 0.00 0.00 60.65 58.01 3hao h LYS 41 Cb 0.52 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 3hao h LYS 41 CO 0.04 1.02 0.00 0.74 -1.08 0.00 0.00 179.45 180.17 3hao h PHE 42 N 0.58 0.76 -0.58 -1.35 0.04 -1.36 -2.10 116.94 112.94 3hao h PHE 42 Ca 0.06 -0.13 -0.07 0.00 2.80 0.00 0.00 57.97 60.63 3hao h PHE 42 Cb 0.84 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.77 3hao h PHE 42 CO 0.07 0.77 0.08 1.88 -0.60 0.00 0.00 178.31 180.51 3hao h TYR 43 N 0.52 0.99 -0.32 -0.55 0.05 -1.14 0.01 116.97 116.53 3hao h TYR 43 Ca 0.11 -0.13 -0.06 0.00 0.05 0.00 0.00 58.73 58.71 3hao h TYR 43 Cb 0.47 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 3hao h TYR 43 CO 0.04 0.85 -0.02 0.00 -1.05 0.00 0.00 178.16 177.98 3hao h ALA 44 N 1.20 0.43 0.07 3.88 0.00 -0.82 -0.73 119.26 123.29 3hao h ALA 44 Ca 0.18 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hao h ALA 44 Cb 0.41 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3hao h ALA 44 CO 0.01 0.21 -0.03 0.82 0.00 0.00 0.00 179.25 180.26 3hao h ILE 45 N 0.37 1.05 0.00 0.00 2.04 -1.16 -2.95 117.51 116.87 3hao h ILE 45 Ca 0.09 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3hao h ILE 45 Cb 0.47 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 3hao h ILE 45 CO 0.02 0.11 0.00 0.74 0.00 0.00 0.00 178.15 179.02 3hao h THR 46 N -0.29 0.00 0.00 -0.27 2.02 -0.99 -2.88 112.91 110.50 3hao h THR 46 Ca -0.01 -0.30 -0.24 0.00 0.77 0.00 0.00 66.41 66.63 3hao h THR 46 Cb 0.25 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 3hao h THR 46 CO 0.02 0.00 -1.56 0.74 0.37 0.00 0.00 175.52 175.08 3hao h THR 47 N 0.00 0.74 -0.77 3.16 2.02 -1.06 -3.36 112.91 113.64 3hao h THR 47 Ca 0.00 -2.46 -0.03 0.00 0.77 0.00 0.00 66.41 64.69 3hao h THR 47 Cb 0.40 2.29 -0.04 0.00 -1.74 0.00 0.00 68.15 69.07 3hao h THR 47 CO 0.00 0.42 0.37 -0.07 0.37 0.00 0.00 175.52 176.61 3hao h LEU 48 N 0.00 1.02 0.19 2.58 3.38 -1.34 -2.95 115.31 118.18 3hao h LEU 48 Ca -0.23 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 3hao h LEU 48 Cb 1.84 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.31 3hao h LEU 48 CO 0.07 0.87 -0.27 0.58 0.09 0.00 0.00 178.44 179.78 3hao h VAL 49 N 1.09 0.00 0.00 1.22 2.07 -1.68 -0.03 116.25 118.92 3hao h VAL 49 Ca 0.27 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.79 3hao h VAL 49 Cb 0.12 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 3hao h VAL 49 CO -0.03 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.75 3hao n PRO 50 N -3.96 0.13 0.02 1.57 -0.04 -1.25 -2.07 135.00 129.40 3hao n PRO 50 Ca -0.06 0.40 -0.13 0.00 -0.04 0.00 0.00 63.50 63.68 3hao n PRO 50 Cb 0.23 -1.76 -0.09 0.00 -0.04 0.00 0.00 33.50 31.84 3hao n PRO 50 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hao h ALA 51 N 2.29 -0.06 -0.40 0.55 0.00 -1.13 0.85 119.26 121.35 3hao h ALA 51 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3hao h ALA 51 Cb 0.28 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3hao h ALA 51 CO 0.00 -0.35 0.26 0.82 0.00 0.00 0.00 179.25 179.97 3hao h ILE 52 N -0.41 1.12 -0.72 0.00 2.04 -0.76 -2.29 117.51 116.49 3hao h ILE 52 Ca -0.01 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 3hao h ILE 52 Cb 0.37 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 3hao h ILE 52 CO 0.01 0.12 0.40 0.00 0.00 0.00 0.00 178.15 178.67 3hao h ALA 53 N 1.13 1.35 -0.64 1.87 0.00 -1.37 -2.12 119.26 119.48 3hao h ALA 53 Ca 0.15 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3hao h ALA 53 Cb -0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 3hao h ALA 53 CO -0.03 0.54 0.22 0.35 0.00 0.00 0.00 179.25 180.33 3hao h PHE 54 N 1.00 1.01 -0.40 0.00 3.57 -0.40 -0.22 116.94 121.51 3hao h PHE 54 Ca 0.26 -0.09 -0.15 0.00 3.53 0.00 0.00 57.97 61.51 3hao h PHE 54 Cb 0.01 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 3hao h PHE 54 CO 0.01 0.81 -0.35 1.79 -2.23 0.00 0.00 178.31 178.34 3hao h THR 55 N 0.92 1.27 -0.28 4.41 1.35 -1.17 -2.12 112.91 117.28 3hao h THR 55 Ca 0.21 -1.52 -0.14 0.00 -0.55 0.00 0.00 66.41 64.41 3hao h THR 55 Cb 0.26 1.33 -0.00 0.00 -1.73 0.00 0.00 68.15 68.01 3hao h THR 55 CO -0.01 0.51 -0.38 0.24 -0.25 0.00 0.00 175.52 175.63 3hao h MET 56 N 0.76 0.76 -0.70 4.72 2.86 -1.24 -1.96 114.93 120.13 3hao h MET 56 Ca 0.07 -0.44 -0.05 0.00 -2.06 0.00 0.00 59.70 57.23 3hao h MET 56 Cb 0.93 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.59 3hao h MET 56 CO 0.09 1.06 0.26 1.88 1.06 0.00 0.00 176.91 181.26 3hao h TYR 57 N 0.51 1.08 -0.41 -0.22 0.05 -1.05 -2.05 116.97 114.90 3hao h TYR 57 Ca 0.03 -0.09 0.03 0.00 0.05 0.00 0.00 58.73 58.76 3hao h TYR 57 Cb 0.97 -0.32 -0.04 0.00 1.01 0.00 0.00 36.73 38.36 3hao h TYR 57 CO 0.08 0.85 0.20 1.25 -1.05 0.00 0.00 178.16 179.48 3hao h LEU 58 N 1.00 0.28 -0.69 3.88 5.85 -1.32 0.14 115.31 124.46 3hao h LEU 58 Ca 0.23 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.98 3hao h LEU 58 Cb 0.24 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3hao h LEU 58 CO -0.02 0.20 0.45 0.28 -0.34 0.00 0.00 178.44 179.02 3hao h SER 59 N 0.40 0.79 -0.37 1.25 0.02 -1.06 -0.67 113.55 113.91 3hao h SER 59 Ca 0.17 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.99 3hao h SER 59 Cb 0.09 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 3hao h SER 59 CO -0.13 0.58 -0.20 0.24 -1.14 0.00 0.00 176.83 176.18 3hao h MET 60 N 0.93 0.79 -0.92 3.45 2.86 -1.11 0.46 114.93 121.40 3hao h MET 60 Ca 0.25 -0.35 0.05 0.00 -2.06 0.00 0.00 59.70 57.59 3hao h MET 60 Cb -0.10 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.48 3hao h MET 60 CO -0.05 0.98 0.60 1.25 1.06 0.00 0.00 176.91 180.75 3hao h LEU 61 N 0.59 0.96 -0.94 1.22 5.85 -0.24 -0.20 115.31 122.55 3hao h LEU 61 Ca 0.08 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3hao h LEU 61 Cb 0.75 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3hao h LEU 61 CO 0.06 0.64 0.00 0.18 -0.34 0.00 0.00 178.44 178.97 3hao n LEU 62 N -4.47 1.31 0.00 2.25 4.77 -0.30 -4.89 117.00 115.66 3hao n LEU 62 Ca 0.13 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 3hao n LEU 62 Cb 0.15 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3hao n LEU 62 CO 0.34 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 3hao n GLY 63 N 0.61 0.67 3.99 -0.72 0.00 -0.09 -5.04 105.19 104.61 3hao n GLY 63 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 3hao n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hao s TYR 64 N -2.40 2.95 -0.16 1.61 1.51 0.16 -4.49 117.35 116.53 3hao s TYR 64 Ca 0.00 -0.20 0.00 0.00 -1.01 0.00 0.00 57.07 55.86 3hao s TYR 64 Cb 0.00 -2.34 0.00 0.00 -0.11 0.00 0.00 41.96 39.51 3hao s TYR 64 CO 0.00 -0.39 0.00 0.41 -1.11 0.00 0.00 175.55 174.46 3hao n GLY 65 N -1.92 0.42 3.36 0.71 0.00 -1.26 -3.67 105.19 102.83 3hao n GLY 65 Ca 0.05 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 3hao n GLY 65 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hao s LEU 66 N -0.35 2.41 0.03 0.99 2.96 -1.26 0.99 118.68 124.45 3hao s LEU 66 Ca 0.00 -0.37 -0.06 0.00 -0.22 0.00 0.00 54.13 53.47 3hao s LEU 66 Cb 0.00 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.21 3hao s LEU 66 CO 0.00 0.26 0.12 0.28 -1.32 0.00 0.00 176.35 175.69 3hao s THR 67 N -0.24 0.11 -0.25 3.68 -1.32 -0.34 -4.96 115.64 112.32 3hao s THR 67 Ca -0.00 -0.92 -0.17 0.00 -1.21 0.00 0.00 61.69 59.39 3hao s THR 67 Cb -0.13 -0.71 -0.03 0.00 -1.51 0.00 0.00 72.50 70.12 3hao s THR 67 CO 0.03 -0.51 0.45 -0.04 -2.21 0.00 0.00 174.62 172.34 3hao s MET 68 N -2.13 4.08 -0.09 7.08 1.00 -1.26 -0.47 119.30 127.51 3hao s MET 68 Ca -0.09 0.22 0.01 0.00 0.00 0.00 0.00 55.69 55.83 3hao s MET 68 Cb -0.04 -3.63 -0.02 0.00 0.00 0.00 0.00 34.83 31.14 3hao s MET 68 CO -0.02 -0.26 -0.12 0.08 0.00 0.00 0.00 175.02 174.70 3hao s VAL 69 N 2.00 3.22 -0.23 -6.03 1.01 0.80 -4.84 120.40 116.33 3hao s VAL 69 Ca 0.19 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.40 3hao s VAL 69 Cb -0.15 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 3hao s VAL 69 CO 0.09 0.56 0.28 -2.16 0.00 0.00 0.00 175.10 173.87 3hao s PRO 70 N -0.23 4.09 -0.05 2.72 0.04 -1.26 0.99 135.00 141.30 3hao s PRO 70 Ca 0.02 -0.06 -0.30 0.00 0.04 0.00 0.00 61.00 60.70 3hao s PRO 70 Cb -0.13 -3.56 0.09 0.00 0.04 0.00 0.00 34.50 30.93 3hao s PRO 70 CO 0.03 -0.04 0.77 -0.59 0.04 0.00 0.00 177.00 177.21 3hao s PHE 71 N 1.34 -0.54 -1.36 0.56 -0.12 -0.73 -4.52 117.98 112.61 3hao s PHE 71 Ca 0.13 0.82 0.00 0.00 -0.05 0.00 0.00 56.93 57.83 3hao s PHE 71 Cb -0.14 0.45 0.00 0.00 -0.63 0.00 0.00 43.02 42.70 3hao s PHE 71 CO 0.07 -0.56 0.00 0.41 -0.05 0.00 0.00 175.22 175.08 3hao n GLY 72 N 0.60 0.82 2.31 1.99 0.00 -1.26 -1.99 105.19 107.66 3hao n GLY 72 Ca -0.16 -0.35 -0.06 0.00 0.00 0.00 0.00 46.02 45.46 3hao n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hao n GLY 73 N -1.18 0.79 3.23 -0.02 0.00 -1.26 -4.99 105.19 101.75 3hao n GLY 73 Ca -0.15 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 3hao n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hao s GLU 74 N -2.07 1.20 -0.45 1.61 2.02 -0.84 -5.12 118.70 115.05 3hao s GLU 74 Ca 0.00 -1.62 -0.17 0.00 0.02 0.00 0.00 54.97 53.20 3hao s GLU 74 Cb 0.00 0.01 0.04 0.00 0.10 0.00 0.00 34.13 34.29 3hao s GLU 74 CO 0.00 -0.29 0.43 -1.14 0.02 0.00 0.00 175.26 174.28 3hao s GLN 75 N -4.06 3.04 -0.17 1.61 2.00 -1.26 -1.78 119.66 119.04 3hao s GLN 75 Ca 0.33 -1.00 -0.05 0.00 -2.00 0.00 0.00 55.36 52.64 3hao s GLN 75 Cb 0.07 -4.04 -0.03 0.00 0.80 0.00 0.00 33.01 29.81 3hao s GLN 75 CO 0.09 -0.94 0.01 -0.80 -0.50 0.00 0.00 175.29 173.14 3hao s ASN 76 N 2.15 5.11 -0.30 6.67 -0.87 0.28 -4.86 114.94 123.12 3hao s ASN 76 Ca 0.09 -0.07 -0.29 0.00 -1.57 0.00 0.00 52.86 51.02 3hao s ASN 76 Cb -0.20 -1.86 -0.00 0.00 -0.02 0.00 0.00 41.25 39.17 3hao s ASN 76 CO 0.11 0.15 1.35 -2.16 -2.57 0.00 0.00 177.10 173.97 3hao s PRO 77 N 0.50 3.88 -0.19 -0.60 0.04 -1.26 -0.14 135.00 137.23 3hao s PRO 77 Ca -0.01 1.28 -0.01 0.00 0.04 0.00 0.00 61.00 62.30 3hao s PRO 77 Cb -0.14 -3.91 0.01 0.00 0.04 0.00 0.00 34.50 30.50 3hao s PRO 77 CO 0.02 -1.17 -0.13 0.42 0.04 0.00 0.00 177.00 176.18 3hao s ILE 78 N 4.53 2.65 -0.78 0.56 -1.09 0.38 -4.90 121.20 122.56 3hao s ILE 78 Ca 0.58 -0.74 -0.24 0.00 -2.23 0.00 0.00 60.65 58.02 3hao s ILE 78 Cb -0.17 -2.16 0.06 0.00 -1.58 0.00 0.00 42.46 38.61 3hao s ILE 78 CO 0.24 0.49 1.17 -0.31 -1.23 0.00 0.00 174.94 175.30 3hao s TYR 79 N 1.29 2.57 -0.76 3.97 2.02 -1.26 -1.20 117.35 123.98 3hao s TYR 79 Ca 0.04 -0.53 0.26 0.00 -0.37 0.00 0.00 57.07 56.47 3hao s TYR 79 Cb -0.14 -4.47 0.72 0.00 -0.40 0.00 0.00 41.96 37.67 3hao s TYR 79 CO -0.07 -1.82 1.65 -2.67 -1.57 0.00 0.00 175.55 171.06 3hao n TRP 80 N 8.32 0.66 0.30 2.71 4.27 0.28 -3.39 117.44 130.59 3hao n TRP 80 Ca 0.08 0.19 0.18 0.00 -3.89 0.00 0.00 57.50 54.06 3hao n TRP 80 Cb 0.48 -0.77 0.91 0.00 -1.36 0.00 0.00 31.31 30.57 3hao n TRP 80 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3hao h ALA 81 N 2.61 1.00 -0.41 -1.67 0.00 -1.78 -2.28 119.26 116.73 3hao h ALA 81 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3hao h ALA 81 Cb 0.70 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3hao h ALA 81 CO 0.00 0.00 0.08 0.00 0.00 0.00 0.00 179.25 179.33 3hao h ARG 82 N 0.00 0.68 0.00 0.00 3.08 -1.86 -2.92 114.38 113.35 3hao h ARG 82 Ca 0.00 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 3hao h ARG 82 Cb 0.17 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 3hao h ARG 82 CO 0.00 0.71 -0.08 1.88 -1.07 0.00 0.00 179.97 181.41 3hao h TYR 83 N 0.54 0.00 0.00 3.04 0.05 -1.65 0.13 116.97 119.08 3hao h TYR 83 Ca 0.13 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.75 3hao h TYR 83 Cb 0.36 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.08 3hao h TYR 83 CO 0.02 0.08 -0.73 0.00 -1.05 0.00 0.00 178.16 176.48 3hao h ALA 84 N 1.92 0.55 0.10 3.88 0.00 -1.59 0.05 119.26 124.17 3hao h ALA 84 Ca -0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 3hao h ALA 84 Cb 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3hao h ALA 84 CO 0.01 0.92 -0.05 0.22 0.00 0.00 0.00 179.25 180.35 3hao h ASP 85 N 0.00 -0.12 -0.89 0.00 1.82 -1.10 -3.37 116.42 112.76 3hao h ASP 85 Ca -0.01 0.00 0.17 0.00 -0.39 0.00 0.00 57.03 56.80 3hao h ASP 85 Cb 1.53 0.03 -0.07 0.00 0.68 0.00 0.00 39.33 41.50 3hao h ASP 85 CO 0.10 0.10 0.58 -0.50 -1.61 0.00 0.00 179.24 177.90 3hao h TRP 86 N -0.51 0.73 -0.99 0.28 6.55 -0.84 -1.92 115.95 119.25 3hao h TRP 86 Ca -0.01 0.02 0.20 0.00 0.95 0.00 0.00 58.89 60.05 3hao h TRP 86 Cb 0.11 -0.23 -0.10 0.00 -0.86 0.00 0.00 29.16 28.08 3hao h TRP 86 CO 0.03 0.24 0.62 1.25 -1.05 0.00 0.00 178.44 179.52 3hao h LEU 87 N 0.59 0.69 0.00 -4.49 5.85 -1.13 -2.13 115.31 114.69 3hao h LEU 87 Ca 0.46 0.09 -0.11 0.00 0.84 0.00 0.00 57.88 59.16 3hao h LEU 87 Cb 0.89 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 3hao h LEU 87 CO -0.21 0.24 -2.07 0.49 -0.34 0.00 0.00 178.44 176.55 3hao n PHE 88 N -4.71 0.00 -0.01 1.25 3.72 -0.89 -4.38 117.46 112.44 3hao n PHE 88 Ca 0.23 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.54 3hao n PHE 88 Cb 0.62 -0.63 -0.14 0.00 -0.94 0.00 0.00 39.48 38.40 3hao n PHE 88 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3hao h THR 89 N 0.00 0.97 -0.22 4.37 1.35 -1.18 -3.23 112.91 114.97 3hao h THR 89 Ca -0.16 -2.80 -0.17 0.00 -0.55 0.00 0.00 66.41 62.73 3hao h THR 89 Cb 1.35 2.49 0.00 0.00 -1.73 0.00 0.00 68.15 70.26 3hao h THR 89 CO 0.01 0.57 -0.51 0.71 -0.25 0.00 0.00 175.52 176.05 3hao h THR 90 N 0.00 1.30 -0.05 6.82 1.35 -1.64 -1.77 112.91 118.92 3hao h THR 90 Ca -0.25 -1.72 -0.11 0.00 -0.55 0.00 0.00 66.41 63.78 3hao h THR 90 Cb 1.98 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 70.19 3hao h THR 90 CO 0.09 0.55 -0.47 1.55 -0.25 0.00 0.00 175.52 176.98 3hao h PRO 91 N 0.46 0.12 -0.55 4.72 0.13 -1.76 -2.40 132.00 132.73 3hao h PRO 91 Ca -0.00 -0.06 -0.06 0.00 -0.87 0.00 0.00 66.00 65.01 3hao h PRO 91 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 3hao h PRO 91 CO 0.11 0.57 0.12 -0.07 -0.23 0.00 0.00 178.00 178.50 3hao h LEU 92 N 0.10 0.80 -0.89 1.56 3.38 -1.56 0.56 115.31 119.26 3hao h LEU 92 Ca 0.00 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 3hao h LEU 92 Cb 0.87 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3hao h LEU 92 CO 0.07 0.79 -0.19 -0.07 0.09 0.00 0.00 178.44 179.13 3hao h LEU 93 N 0.82 0.60 -0.46 1.67 3.38 -1.10 -1.94 115.31 118.28 3hao h LEU 93 Ca 0.18 -0.19 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 3hao h LEU 93 Cb 0.32 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3hao h LEU 93 CO 0.00 0.80 -0.36 0.00 0.09 0.00 0.00 178.44 178.97 3hao h ALA 94 N 1.25 0.64 -0.51 1.53 0.00 -0.87 -2.63 119.26 118.68 3hao h ALA 94 Ca 0.09 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3hao h ALA 94 Cb 0.63 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3hao h ALA 94 CO 0.04 0.67 0.28 1.25 0.00 0.00 0.00 179.25 181.50 3hao h LEU 95 N 0.73 0.61 -0.17 0.00 5.85 -0.65 0.41 115.31 122.10 3hao h LEU 95 Ca 0.07 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 3hao h LEU 95 Cb 0.94 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 3hao h LEU 95 CO 0.09 0.49 0.09 0.44 -0.34 0.00 0.00 178.44 179.20 3hao h ASP 96 N 0.70 0.22 -0.07 1.25 3.32 -1.01 0.25 116.42 121.08 3hao h ASP 96 Ca 0.18 -0.10 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 3hao h ASP 96 Cb 0.01 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3hao h ASP 96 CO -0.03 0.26 -0.24 -0.07 -1.72 0.00 0.00 179.24 177.43 3hao h LEU 97 N 0.16 0.49 -0.42 1.55 3.38 -1.03 -2.52 115.31 116.92 3hao h LEU 97 Ca 0.06 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 3hao h LEU 97 Cb 0.09 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3hao h LEU 97 CO -0.01 0.74 -0.17 0.00 0.09 0.00 0.00 178.44 179.09 3hao h ALA 98 N 1.30 0.59 -0.36 1.53 0.00 0.15 -3.07 119.26 119.40 3hao h ALA 98 Ca 0.06 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 3hao h ALA 98 Cb 0.66 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3hao h ALA 98 CO 0.05 0.53 -0.17 -0.07 0.00 0.00 0.00 179.25 179.59 3hao h LEU 99 N 0.68 0.77 -0.75 0.00 3.38 -0.85 -0.72 115.31 117.82 3hao h LEU 99 Ca 0.10 -0.40 0.17 0.00 0.09 0.00 0.00 57.88 57.83 3hao h LEU 99 Cb 0.73 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 41.15 3hao h LEU 99 CO 0.06 1.00 0.17 -0.07 0.09 0.00 0.00 178.44 179.69 3hao h LEU 100 N 0.54 -0.01 -3.14 1.67 3.38 -1.41 -0.11 115.31 116.23 3hao h LEU 100 Ca 0.08 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3hao h LEU 100 Cb 0.71 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3hao h LEU 100 CO 0.05 -0.06 0.00 1.33 0.09 0.00 0.00 178.44 179.85 3hao n VAL 101 N -5.18 1.84 -3.63 1.22 0.24 -1.17 -4.97 118.33 106.69 3hao n VAL 101 Ca 0.15 -1.20 -0.25 0.00 -2.04 0.00 0.00 64.34 61.00 3hao n VAL 101 Cb 0.48 0.13 0.07 0.00 -1.47 0.00 0.00 33.84 33.05 3hao n VAL 101 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3hao n ASP 102 N 1.15 -6.19 -4.77 -1.34 10.43 -0.05 -4.56 116.55 111.21 3hao n ASP 102 Ca 0.26 -0.57 -0.33 0.00 2.57 0.00 0.00 54.79 56.72 3hao n ASP 102 Cb 0.90 -4.88 0.04 0.00 1.84 0.00 0.00 41.12 39.02 3hao n ASP 102 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hao s ALA 103 N -3.31 2.51 0.56 2.24 0.00 -0.34 -5.02 121.76 118.40 3hao s ALA 103 Ca 0.59 0.53 -0.19 0.00 0.00 0.00 0.00 51.96 52.90 3hao s ALA 103 Cb -0.27 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.49 3hao s ALA 103 CO 0.74 -1.21 1.14 -0.51 0.00 0.00 0.00 175.76 175.91 3hao s ASP 104 N -2.59 5.60 0.21 0.00 1.01 -1.26 -4.91 116.67 114.73 3hao s ASP 104 Ca 0.67 2.18 -0.08 0.00 0.71 0.00 0.00 52.55 56.03 3hao s ASP 104 Cb -0.20 -2.58 0.16 0.00 1.01 0.00 0.00 42.92 41.31 3hao s ASP 104 CO 0.41 -1.30 1.79 -0.61 0.21 0.00 0.00 175.17 175.67 3hao h GLN 105 N 1.04 1.18 -0.51 8.23 4.15 -2.00 -1.45 115.11 125.75 3hao h GLN 105 Ca -0.50 -0.19 -0.03 0.00 0.77 0.00 0.00 58.65 58.70 3hao h GLN 105 Cb 1.26 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 28.73 3hao h GLN 105 CO 0.56 0.93 0.19 0.78 -1.93 0.00 0.00 178.83 179.36 3hao h GLY 106 N 1.15 0.79 0.99 2.39 0.00 -1.99 -2.29 103.07 104.11 3hao h GLY 106 Ca 0.27 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3hao h GLY 106 CO -0.03 0.38 0.28 -0.84 0.00 0.00 0.00 176.54 176.33 3hao h THR 107 N 0.73 1.13 -0.31 4.70 2.02 -1.65 -0.62 112.91 118.91 3hao h THR 107 Ca 0.17 -0.28 -0.08 0.00 0.77 0.00 0.00 66.41 67.00 3hao h THR 107 Cb 0.17 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 3hao h THR 107 CO -0.01 0.13 -0.14 0.40 0.37 0.00 0.00 175.52 176.27 3hao h ILE 108 N 0.60 1.24 -0.29 3.11 2.04 -1.11 -0.33 117.51 122.77 3hao h ILE 108 Ca 0.16 -1.08 -0.10 0.00 1.00 0.00 0.00 64.86 64.84 3hao h ILE 108 Cb -0.03 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3hao h ILE 108 CO -0.03 0.35 -0.23 0.25 0.00 0.00 0.00 178.15 178.50 3hao h LEU 109 N 0.49 0.70 -0.52 1.44 5.85 -1.02 -1.68 115.31 120.57 3hao h LEU 109 Ca 0.09 -0.45 -0.06 0.00 0.84 0.00 0.00 57.88 58.30 3hao h LEU 109 Cb 0.53 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3hao h LEU 109 CO 0.03 1.00 0.10 0.00 -0.34 0.00 0.00 178.44 179.23 3hao h ALA 110 N 0.72 0.69 0.73 1.25 0.00 -0.85 -0.27 119.26 121.53 3hao h ALA 110 Ca 0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3hao h ALA 110 Cb 0.78 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.38 3hao h ALA 110 CO 0.06 0.41 -0.35 -0.07 0.00 0.00 0.00 179.25 179.29 3hao h LEU 111 N 0.73 -0.84 -0.90 0.00 3.38 -0.95 0.40 115.31 117.14 3hao h LEU 111 Ca 0.16 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.29 3hao h LEU 111 Cb 0.38 0.22 -0.09 0.00 0.09 0.00 0.00 40.66 41.25 3hao h LEU 111 CO 0.01 -0.57 0.51 0.58 0.09 0.00 0.00 178.44 179.05 3hao h VAL 112 N -1.02 0.79 -0.05 1.22 2.07 -1.33 0.46 116.25 118.39 3hao h VAL 112 Ca -0.10 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3hao h VAL 112 Cb 0.77 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3hao h VAL 112 CO 0.17 0.14 0.03 1.23 0.02 0.00 0.00 177.57 179.15 3hao h GLY 113 N 0.74 0.07 0.80 2.17 0.00 -0.77 0.23 103.07 106.30 3hao h GLY 113 Ca 0.48 -0.03 0.04 0.00 0.00 0.00 0.00 47.33 47.82 3hao h GLY 113 CO -0.33 0.03 0.39 0.00 0.00 0.00 0.00 176.54 176.62 3hao h ALA 114 N 0.99 0.86 -0.75 3.60 0.00 0.57 -1.62 119.26 122.91 3hao h ALA 114 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3hao h ALA 114 Cb 0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3hao h ALA 114 CO -0.00 0.11 0.37 0.22 0.00 0.00 0.00 179.25 179.95 3hao h ASP 115 N 0.74 0.96 -0.30 0.00 1.82 0.28 0.09 116.42 120.01 3hao h ASP 115 Ca 0.27 -0.10 -0.02 0.00 -0.39 0.00 0.00 57.03 56.80 3hao h ASP 115 Cb 0.08 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 39.84 3hao h ASP 115 CO -0.13 0.80 0.13 1.23 -1.61 0.00 0.00 179.24 179.65 3hao h GLY 116 N 1.10 0.48 0.91 -0.78 0.00 0.27 -2.48 103.07 102.57 3hao h GLY 116 Ca 0.26 -0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.36 3hao h GLY 116 CO -0.04 0.24 0.41 -2.22 0.00 0.00 0.00 176.54 174.93 3hao h ILE 117 N 0.34 1.10 -0.33 2.60 2.04 -0.50 0.24 117.51 123.01 3hao h ILE 117 Ca 0.10 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.69 3hao h ILE 117 Cb 0.17 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 3hao h ILE 117 CO -0.01 0.15 0.20 -0.03 0.00 0.00 0.00 178.15 178.46 3hao h MET 118 N 0.81 0.40 -0.07 2.37 4.05 -0.80 0.72 114.93 122.40 3hao h MET 118 Ca 0.25 -0.02 -0.21 0.00 -0.28 0.00 0.00 59.70 59.44 3hao h MET 118 Cb -0.01 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.70 3hao h MET 118 CO -0.09 0.27 -0.82 0.82 0.23 0.00 0.00 176.91 177.32 3hao h ILE 119 N 0.42 1.35 -0.27 1.77 1.08 -1.30 -2.16 117.51 118.40 3hao h ILE 119 Ca 0.13 -2.18 -0.05 0.00 -0.39 0.00 0.00 64.86 62.36 3hao h ILE 119 Cb -0.02 2.17 -0.01 0.00 -3.07 0.00 0.00 36.82 35.90 3hao h ILE 119 CO -0.05 0.66 -0.05 1.23 -0.69 0.00 0.00 178.15 179.26 3hao h GLY 120 N 1.03 0.55 2.00 5.37 0.00 -0.21 -2.42 103.07 109.39 3hao h GLY 120 Ca -0.06 -0.44 -0.13 0.00 0.00 0.00 0.00 47.33 46.71 3hao h GLY 120 CO 0.15 0.40 -0.62 -0.91 0.00 0.00 0.00 176.54 175.56 3hao h THR 121 N 0.26 1.33 -0.47 4.70 1.35 -0.94 -2.28 112.91 116.85 3hao h THR 121 Ca 0.07 -2.19 -0.03 0.00 -0.55 0.00 0.00 66.41 63.71 3hao h THR 121 Cb 0.51 2.22 -0.02 0.00 -1.73 0.00 0.00 68.15 69.13 3hao h THR 121 CO 0.02 0.60 0.19 1.23 -0.25 0.00 0.00 175.52 177.31 3hao h GLY 122 N 2.17 0.76 1.29 5.82 0.00 -1.34 -1.71 103.07 110.06 3hao h GLY 122 Ca -0.01 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 46.78 3hao h GLY 122 CO 0.08 0.39 -0.30 -2.00 0.00 0.00 0.00 176.54 174.71 3hao h LEU 123 N 0.62 0.83 -0.42 3.11 5.85 -1.32 -0.87 115.31 123.11 3hao h LEU 123 Ca 0.16 -0.34 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 3hao h LEU 123 Cb 0.20 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3hao h LEU 123 CO -0.01 1.07 0.07 0.58 -0.34 0.00 0.00 178.44 179.81 3hao h VAL 124 N 0.68 1.24 -0.56 1.05 2.07 -1.30 -2.35 116.25 117.09 3hao h VAL 124 Ca 0.08 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 66.74 3hao h VAL 124 Cb 0.84 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 3hao h VAL 124 CO 0.07 0.31 0.37 1.23 0.02 0.00 0.00 177.57 179.57 3hao h GLY 125 N 0.56 0.75 1.49 2.17 0.00 -1.22 -1.67 103.07 105.15 3hao h GLY 125 Ca 0.13 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 3hao h GLY 125 CO 0.01 0.24 -0.02 0.00 0.00 0.00 0.00 176.54 176.77 3hao h ALA 126 N 1.67 1.24 -0.01 3.60 0.00 -1.02 -3.32 119.26 121.42 3hao h ALA 126 Ca 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hao h ALA 126 Cb 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3hao h ALA 126 CO -0.05 0.51 -0.68 1.28 0.00 0.00 0.00 179.25 180.30 3hao n LEU 127 N -4.24 1.59 -4.75 0.00 4.77 -0.90 -4.96 117.00 108.51 3hao n LEU 127 Ca 0.02 -0.64 -0.41 0.00 -0.03 0.00 0.00 56.01 54.95 3hao n LEU 127 Cb 0.28 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 3hao n LEU 127 CO 0.40 0.32 0.94 -0.89 -1.33 0.00 0.00 177.39 176.84 3hao s THR 128 N -2.69 3.20 -0.74 -5.08 2.01 -0.64 -4.95 115.64 106.75 3hao s THR 128 Ca 0.14 1.06 0.24 0.00 0.31 0.00 0.00 61.69 63.44 3hao s THR 128 Cb 0.17 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.98 3hao s THR 128 CO 0.69 0.19 1.24 0.29 -0.69 0.00 0.00 174.62 176.34 3hao n LYS 129 N 2.04 0.21 -3.36 4.92 5.02 -1.26 -4.74 118.16 120.99 3hao n LYS 129 Ca 0.04 0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.94 3hao n LYS 129 Cb 0.43 -1.60 -0.09 0.00 -0.02 0.00 0.00 35.03 33.75 3hao n LYS 129 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hao s VAL 130 N -3.13 5.13 0.17 -0.18 1.01 -1.26 -4.33 120.40 117.82 3hao s VAL 130 Ca 0.07 0.01 -0.25 0.00 0.00 0.00 0.00 61.98 61.80 3hao s VAL 130 Cb 0.15 -3.89 0.05 0.00 0.00 0.00 0.00 36.38 32.70 3hao s VAL 130 CO 0.75 -0.18 1.57 0.22 0.00 0.00 0.00 175.10 177.45 3hao h TYR 131 N 8.52 -1.28 -0.88 5.22 5.03 -1.92 -2.08 116.97 129.58 3hao h TYR 131 Ca -0.29 0.09 0.09 0.00 2.58 0.00 0.00 58.73 61.20 3hao h TYR 131 Cb 1.13 0.65 -0.07 0.00 1.55 0.00 0.00 36.73 39.99 3hao h TYR 131 CO 0.68 -0.42 0.52 1.03 -1.32 0.00 0.00 178.16 178.66 3hao h SER 132 N -0.19 0.77 0.71 -2.11 0.87 -1.98 -1.19 113.55 110.43 3hao h SER 132 Ca 0.20 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.76 3hao h SER 132 Cb 0.56 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.40 3hao h SER 132 CO -0.73 0.45 -0.16 1.88 -0.53 0.00 0.00 176.83 177.74 3hao h TYR 133 N 0.88 0.00 -0.83 2.24 0.05 -1.82 -2.90 116.97 114.60 3hao h TYR 133 Ca 0.42 0.00 0.01 0.00 0.05 0.00 0.00 58.73 59.21 3hao h TYR 133 Cb 0.34 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.04 3hao h TYR 133 CO -0.04 0.16 0.54 0.00 -1.05 0.00 0.00 178.16 177.77 3hao h ARG 134 N 0.00 1.07 0.00 4.88 3.08 -0.70 -1.61 114.38 121.10 3hao h ARG 134 Ca -0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3hao h ARG 134 Cb 0.55 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3hao h ARG 134 CO 0.02 0.71 0.00 0.74 -1.07 0.00 0.00 179.97 180.37 3hao h PHE 135 N 1.10 0.00 -0.15 3.04 0.04 -1.58 -1.73 116.94 117.66 3hao h PHE 135 Ca 0.31 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.86 3hao h PHE 135 Cb -0.10 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.06 3hao h PHE 135 CO -0.02 0.00 -0.78 0.28 -0.60 0.00 0.00 178.31 177.19 3hao h VAL 136 N 0.00 1.28 -0.05 -0.55 2.07 -1.28 -1.58 116.25 116.13 3hao h VAL 136 Ca 0.00 -1.97 -0.16 0.00 0.82 0.00 0.00 66.70 65.39 3hao h VAL 136 Cb 0.61 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 3hao h VAL 136 CO 0.00 0.63 -0.68 -0.50 0.02 0.00 0.00 177.57 177.04 3hao h TRP 137 N 0.54 0.31 -0.54 1.57 4.06 -1.28 -2.60 115.95 118.01 3hao h TRP 137 Ca -0.05 -0.13 -0.10 0.00 2.06 0.00 0.00 58.89 60.66 3hao h TRP 137 Cb 1.41 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 29.50 3hao h TRP 137 CO 0.09 0.84 -0.07 2.35 -3.56 0.00 0.00 178.44 178.09 3hao h TRP 138 N 0.16 1.08 -0.22 0.49 7.01 -1.24 -2.12 115.95 121.11 3hao h TRP 138 Ca -0.02 -0.20 -0.03 0.00 2.11 0.00 0.00 58.89 60.75 3hao h TRP 138 Cb 1.22 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 28.00 3hao h TRP 138 CO 0.02 0.99 0.01 0.00 -2.79 0.00 0.00 178.44 176.68 3hao h ALA 139 N 1.03 0.30 -0.48 2.65 0.00 -1.23 -1.20 119.26 120.32 3hao h ALA 139 Ca 0.15 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3hao h ALA 139 Cb 0.61 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3hao h ALA 139 CO 0.04 0.01 0.12 0.82 0.00 0.00 0.00 179.25 180.24 3hao h ILE 140 N 0.16 1.24 -0.52 0.00 2.04 -1.39 -0.69 117.51 118.35 3hao h ILE 140 Ca 0.06 -0.83 0.03 0.00 1.00 0.00 0.00 64.86 65.12 3hao h ILE 140 Cb 0.38 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 3hao h ILE 140 CO 0.01 0.30 0.31 -1.28 0.00 0.00 0.00 178.15 177.48 3hao h SER 141 N 0.65 0.49 0.90 1.72 0.87 -1.32 0.19 113.55 117.06 3hao h SER 141 Ca 0.15 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 3hao h SER 141 Cb 0.32 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.18 3hao h SER 141 CO 0.00 0.35 -0.11 0.00 -0.53 0.00 0.00 176.83 176.54 3hao h THR 142 N 0.61 0.29 -0.10 2.23 1.03 -1.08 -1.62 112.91 114.27 3hao h THR 142 Ca 0.21 -0.77 -0.22 0.00 -0.01 0.00 0.00 66.41 65.62 3hao h THR 142 Cb 0.03 1.60 0.01 0.00 -1.07 0.00 0.00 68.15 68.72 3hao h THR 142 CO -0.10 0.11 -0.79 0.00 -0.01 0.00 0.00 175.52 174.73 3hao h ALA 143 N 1.89 0.23 -0.57 0.00 0.00 0.95 -2.48 119.26 119.28 3hao h ALA 143 Ca -0.00 -0.61 -0.06 0.00 0.00 0.00 0.00 54.91 54.24 3hao h ALA 143 Cb 0.59 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3hao h ALA 143 CO 0.01 0.62 0.11 0.00 0.00 0.00 0.00 179.25 179.99 3hao h ALA 144 N 0.49 1.11 -0.45 0.00 0.00 -0.96 -2.25 119.26 117.20 3hao h ALA 144 Ca -0.07 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3hao h ALA 144 Cb 1.43 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3hao h ALA 144 CO 0.16 0.59 0.13 1.98 0.00 0.00 0.00 179.25 182.11 3hao h MET 145 N 0.86 0.71 -0.39 0.00 -1.53 -1.31 -2.66 114.93 110.62 3hao h MET 145 Ca 0.18 -0.16 -0.09 0.00 -3.44 0.00 0.00 59.70 56.19 3hao h MET 145 Cb 0.36 -0.10 -0.02 0.00 -0.55 0.00 0.00 31.60 31.29 3hao h MET 145 CO 0.01 0.69 -0.14 -0.07 0.14 0.00 0.00 176.91 177.53 3hao h LEU 146 N 0.60 0.69 -0.49 3.39 3.38 -1.29 -2.14 115.31 119.45 3hao h LEU 146 Ca 0.15 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3hao h LEU 146 Cb 0.28 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3hao h LEU 146 CO -0.00 0.85 0.32 0.22 0.09 0.00 0.00 178.44 179.91 3hao h TYR 147 N 0.63 0.62 -0.64 1.13 3.20 -1.19 -0.09 116.97 120.64 3hao h TYR 147 Ca 0.11 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 3hao h TYR 147 Cb 0.60 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 3hao h TYR 147 CO 0.03 0.40 0.37 0.82 -1.64 0.00 0.00 178.16 178.14 3hao h ILE 148 N 0.66 1.19 -0.13 1.81 2.04 -1.22 -1.99 117.51 119.88 3hao h ILE 148 Ca 0.18 -0.45 -0.14 0.00 1.00 0.00 0.00 64.86 65.45 3hao h ILE 148 Cb -0.07 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 3hao h ILE 148 CO -0.04 0.20 -0.51 -0.07 0.00 0.00 0.00 178.15 177.73 3hao h LEU 149 N 0.86 0.40 -0.56 1.44 3.38 -1.15 -1.34 115.31 118.34 3hao h LEU 149 Ca 0.23 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 3hao h LEU 149 Cb -0.00 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3hao h LEU 149 CO -0.04 0.84 0.03 0.22 0.09 0.00 0.00 178.44 179.58 3hao h TYR 150 N 0.29 1.05 -0.38 1.13 3.20 -0.73 -0.77 116.97 120.75 3hao h TYR 150 Ca 0.01 -0.17 -0.08 0.00 3.14 0.00 0.00 58.73 61.63 3hao h TYR 150 Cb 1.00 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 3hao h TYR 150 CO 0.03 0.94 -0.07 0.28 -1.64 0.00 0.00 178.16 177.70 3hao h VAL 151 N 0.86 1.27 -0.10 1.81 2.07 -1.17 0.23 116.25 121.22 3hao h VAL 151 Ca 0.16 -1.14 -0.11 0.00 0.82 0.00 0.00 66.70 66.44 3hao h VAL 151 Cb 0.51 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3hao h VAL 151 CO 0.02 0.38 -0.42 -0.07 0.02 0.00 0.00 177.57 177.50 3hao h LEU 152 N 0.53 0.24 0.00 2.57 3.38 -1.17 0.31 115.31 121.17 3hao h LEU 152 Ca 0.10 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3hao h LEU 152 Cb 0.58 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3hao h LEU 152 CO 0.03 0.64 -0.20 0.15 0.09 0.00 0.00 178.44 179.15 3hao h PHE 153 N 0.19 0.00 0.00 1.13 3.04 -1.06 -3.24 116.94 117.00 3hao h PHE 153 Ca 0.02 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.94 3hao h PHE 153 Cb 0.83 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.34 3hao h PHE 153 CO 0.01 0.58 -0.15 0.74 -2.02 0.00 0.00 178.31 177.48 3hao h PHE 154 N -1.00 0.00 0.44 0.41 0.04 -0.63 -3.30 116.94 112.89 3hao h PHE 154 Ca -0.04 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 3hao h PHE 154 Cb 0.61 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.76 3hao h PHE 154 CO 0.10 0.90 -0.21 0.78 -0.60 0.00 0.00 178.31 179.28 3hao h GLY 155 N -1.00 -0.62 1.88 -1.45 0.00 -0.58 -3.12 103.07 98.18 3hao h GLY 155 Ca -0.04 0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.45 3hao h GLY 155 CO -0.02 -0.22 -0.26 0.74 0.00 0.00 0.00 176.54 176.78 3hao h PHE 156 N -0.93 0.15 -0.23 5.60 -1.00 -0.96 -2.50 116.94 117.07 3hao h PHE 156 Ca -0.06 -0.02 -0.12 0.00 2.81 0.00 0.00 57.97 60.58 3hao h PHE 156 Cb 0.57 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 40.08 3hao h PHE 156 CO 0.01 0.39 -0.36 1.15 -1.61 0.00 0.00 178.31 177.90 3hao h THR 157 N 0.13 1.29 -0.27 -1.55 2.02 -1.64 -0.61 112.91 112.28 3hao h THR 157 Ca 0.02 -1.47 -0.04 0.00 0.77 0.00 0.00 66.41 65.69 3hao h THR 157 Cb 0.53 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 3hao h THR 157 CO 0.04 0.46 0.02 0.28 0.37 0.00 0.00 175.52 176.69 3hao h SER 158 N 0.42 0.45 -0.61 4.18 0.02 -1.42 -2.82 113.55 113.77 3hao h SER 158 Ca 0.05 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 60.69 3hao h SER 158 Cb 0.82 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 3hao h SER 158 CO 0.07 0.62 0.29 0.11 -1.14 0.00 0.00 176.83 176.78 3hao h LYS 159 N 0.26 0.91 0.00 3.45 1.79 -1.29 -2.85 116.57 118.84 3hao h LYS 159 Ca 0.08 -0.13 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 3hao h LYS 159 Cb 0.37 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 30.86 3hao h LYS 159 CO 0.01 0.72 -0.01 0.00 -1.08 0.00 0.00 179.45 179.09 3hao h ALA 160 N 1.41 1.75 -0.27 3.86 0.00 -0.85 -1.92 119.26 123.24 3hao h ALA 160 Ca 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3hao h ALA 160 Cb 0.12 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3hao h ALA 160 CO -0.03 0.01 0.13 0.93 0.00 0.00 0.00 179.25 180.29 3hao h GLU 161 N 0.00 0.37 -0.02 0.00 4.39 -1.38 -0.68 114.58 117.26 3hao h GLU 161 Ca -0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3hao h GLU 161 Cb 0.02 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 3hao h GLU 161 CO 0.00 0.29 -0.10 -1.13 -1.16 0.00 0.00 179.01 176.91 3hao n SER 162 N -4.44 2.16 -4.96 1.42 3.41 -0.72 -4.89 113.62 105.59 3hao n SER 162 Ca 0.01 -1.64 -0.21 0.00 -0.26 0.00 0.00 58.87 56.77 3hao n SER 162 Cb 0.11 0.09 0.04 0.00 -0.26 0.00 0.00 64.21 64.19 3hao n SER 162 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3hao s MET 163 N -2.13 2.51 0.89 4.33 -1.94 -0.26 -5.07 119.30 117.63 3hao s MET 163 Ca 0.29 -0.87 -0.11 0.00 -1.71 0.00 0.00 55.69 53.30 3hao s MET 163 Cb 0.20 -2.51 0.13 0.00 2.01 0.00 0.00 34.83 34.66 3hao s MET 163 CO 0.38 -0.71 1.11 -0.98 -0.01 0.00 0.00 175.02 174.80 3hao s ARG 164 N -4.74 1.26 0.22 2.03 1.70 -1.26 -4.72 118.95 113.44 3hao s ARG 164 Ca 0.58 1.22 -0.07 0.00 -0.47 0.00 0.00 55.73 56.98 3hao s ARG 164 Cb -0.10 -1.78 0.18 0.00 -0.57 0.00 0.00 34.95 32.68 3hao s ARG 164 CO 0.38 -2.36 1.82 -1.00 -1.08 0.00 0.00 175.30 173.06 3hao h PRO 165 N -1.65 1.22 -0.85 3.89 0.13 -1.97 -2.40 132.00 130.36 3hao h PRO 165 Ca -0.46 -0.18 -0.03 0.00 -0.87 0.00 0.00 66.00 64.46 3hao h PRO 165 Cb 1.27 -0.22 -0.04 0.00 0.13 0.00 0.00 31.00 32.14 3hao h PRO 165 CO 0.48 0.93 0.42 1.49 -0.23 0.00 0.00 178.00 181.09 3hao h GLU 166 N 1.20 1.22 -0.13 0.86 4.57 -1.99 0.78 114.58 121.09 3hao h GLU 166 Ca 0.29 -0.17 -0.18 0.00 -1.18 0.00 0.00 59.36 58.12 3hao h GLU 166 Cb 0.11 -0.22 0.01 0.00 -0.16 0.00 0.00 28.75 28.49 3hao h GLU 166 CO -0.04 0.93 -0.61 0.28 -1.18 0.00 0.00 179.01 178.40 3hao h VAL 167 N 1.21 1.33 -0.56 0.32 2.07 -1.88 -3.01 116.25 115.74 3hao h VAL 167 Ca 0.29 -1.87 -0.06 0.00 0.82 0.00 0.00 66.70 65.89 3hao h VAL 167 Cb 0.11 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 3hao h VAL 167 CO -0.04 0.58 0.11 0.00 0.02 0.00 0.00 177.57 178.24 3hao h ALA 168 N 0.51 1.16 -0.73 1.67 0.00 -1.11 -2.38 119.26 118.37 3hao h ALA 168 Ca -0.04 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 3hao h ALA 168 Cb 1.24 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3hao h ALA 168 CO 0.13 0.57 0.26 1.03 0.00 0.00 0.00 179.25 181.23 3hao h SER 169 N 0.83 1.04 -0.29 0.00 0.87 -0.90 -2.05 113.55 113.05 3hao h SER 169 Ca 0.18 -0.19 -0.11 0.00 -1.23 0.00 0.00 61.79 60.43 3hao h SER 169 Cb 0.33 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3hao h SER 169 CO 0.00 0.96 -0.26 0.74 -0.53 0.00 0.00 176.83 177.74 3hao h THR 170 N 1.07 1.30 -0.83 2.23 2.02 -1.45 -2.95 112.91 114.30 3hao h THR 170 Ca 0.24 -1.42 -0.03 0.00 0.77 0.00 0.00 66.41 65.98 3hao h THR 170 Cb 0.27 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 68.19 3hao h THR 170 CO -0.01 0.45 0.41 0.15 0.37 0.00 0.00 175.52 176.89 3hao h PHE 171 N 0.44 1.18 -0.77 3.16 3.57 -1.32 -2.26 116.94 120.93 3hao h PHE 171 Ca 0.05 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 3hao h PHE 171 Cb 0.82 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 3hao h PHE 171 CO 0.07 0.85 0.32 0.87 -2.23 0.00 0.00 178.31 178.18 3hao h LYS 172 N 1.17 1.14 0.18 1.11 1.57 -1.34 1.35 116.57 121.75 3hao h LYS 172 Ca 0.29 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3hao h LYS 172 Cb 0.10 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.22 3hao h LYS 172 CO -0.04 0.91 -0.09 0.28 -0.57 0.00 0.00 179.45 179.95 3hao h VAL 173 N 1.11 0.93 -0.76 0.50 2.07 -1.34 -0.38 116.25 118.39 3hao h VAL 173 Ca 0.26 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 3hao h VAL 173 Cb 0.19 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3hao h VAL 173 CO -0.02 0.14 0.34 -0.07 0.02 0.00 0.00 177.57 177.98 3hao h LEU 174 N -0.56 1.01 -0.75 2.57 3.38 -1.12 0.18 115.31 120.02 3hao h LEU 174 Ca -0.02 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3hao h LEU 174 Cb 0.42 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3hao h LEU 174 CO 0.04 0.87 0.34 -0.09 0.09 0.00 0.00 178.44 179.69 3hao h ARG 175 N 1.09 1.09 -0.29 1.13 2.43 0.19 -0.55 114.38 119.48 3hao h ARG 175 Ca 0.26 -0.18 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 3hao h ARG 175 Cb 0.15 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3hao h ARG 175 CO -0.03 0.87 -0.14 -0.91 -1.51 0.00 0.00 179.97 178.25 3hao h ASN 176 N 1.06 0.62 -0.51 -3.80 2.35 -0.38 -2.19 115.58 112.73 3hao h ASN 176 Ca 0.25 -0.41 0.06 0.00 -0.55 0.00 0.00 56.30 55.65 3hao h ASN 176 Cb 0.16 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.30 3hao h ASN 176 CO -0.03 0.89 0.23 0.58 -1.65 0.00 0.00 177.43 177.45 3hao h VAL 177 N 0.35 0.90 -0.33 2.81 2.07 -0.39 -1.36 116.25 120.30 3hao h VAL 177 Ca 0.06 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3hao h VAL 177 Cb 0.66 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3hao h VAL 177 CO 0.04 0.08 0.17 0.74 0.02 0.00 0.00 177.57 178.62 3hao h THR 178 N 0.44 1.15 -0.29 2.57 2.02 -0.93 -1.57 112.91 116.30 3hao h THR 178 Ca 0.23 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 3hao h THR 178 Cb 0.19 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 3hao h THR 178 CO -0.20 0.15 0.14 0.58 0.37 0.00 0.00 175.52 176.56 3hao h VAL 179 N 0.40 1.16 -0.47 3.16 2.07 -1.14 -0.49 116.25 120.94 3hao h VAL 179 Ca 0.11 -0.45 -0.13 0.00 0.82 0.00 0.00 66.70 67.06 3hao h VAL 179 Cb 0.09 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3hao h VAL 179 CO -0.02 0.16 -0.20 0.58 0.02 0.00 0.00 177.57 178.11 3hao h VAL 180 N 0.33 1.27 0.01 2.57 2.07 -1.20 -2.97 116.25 118.33 3hao h VAL 180 Ca 0.10 -1.36 -0.06 0.00 0.82 0.00 0.00 66.70 66.20 3hao h VAL 180 Cb 0.13 1.12 0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3hao h VAL 180 CO -0.01 0.47 -0.25 -0.07 0.02 0.00 0.00 177.57 177.72 3hao h LEU 181 N 0.83 0.20 -0.78 2.57 3.38 -1.25 -3.34 115.31 116.93 3hao h LEU 181 Ca 0.11 -0.83 0.03 0.00 0.09 0.00 0.00 57.88 57.29 3hao h LEU 181 Cb 0.77 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 3hao h LEU 181 CO 0.06 1.01 0.50 -0.50 0.09 0.00 0.00 178.44 179.59 3hao h TRP 182 N -0.58 0.93 0.00 1.13 4.06 -1.18 -1.36 115.95 118.95 3hao h TRP 182 Ca -0.04 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.94 3hao h TRP 182 Cb 1.06 -0.31 0.00 0.00 -1.00 0.00 0.00 29.16 28.91 3hao h TRP 182 CO 0.20 0.53 0.00 -1.13 -3.56 0.00 0.00 178.44 174.48 3hao n SER 183 N -4.61 0.54 0.11 -3.49 3.41 -1.12 -1.73 113.62 106.72 3hao n SER 183 Ca 0.09 0.69 0.07 0.00 -0.26 0.00 0.00 58.87 59.46 3hao n SER 183 Cb 0.09 -0.78 0.01 0.00 -0.26 0.00 0.00 64.21 63.27 3hao n SER 183 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hao h ALA 184 N 2.14 0.66 -0.00 7.33 0.00 -1.36 -3.38 119.26 124.65 3hao h ALA 184 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3hao h ALA 184 Cb 0.17 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hao h ALA 184 CO 0.00 0.38 0.00 1.88 0.00 0.00 0.00 179.25 181.51 3hao h TYR 185 N 0.00 0.01 -0.87 0.00 -1.99 -1.37 -2.29 116.97 110.46 3hao h TYR 185 Ca -0.05 0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.74 3hao h TYR 185 Cb 1.24 -0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.91 3hao h TYR 185 CO 0.00 0.02 0.57 -1.00 -0.00 0.00 0.00 178.16 177.74 3hao h PRO 186 N -0.01 0.97 -0.48 4.88 0.13 -1.73 -0.85 132.00 134.91 3hao h PRO 186 Ca 0.00 -0.06 -0.06 0.00 -0.87 0.00 0.00 66.00 65.01 3hao h PRO 186 Cb 0.01 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 30.91 3hao h PRO 186 CO -0.00 0.64 0.05 0.28 -0.23 0.00 0.00 178.00 178.74 3hao h VAL 187 N 1.00 1.25 -0.91 1.56 2.07 -1.72 -0.39 116.25 119.11 3hao h VAL 187 Ca 0.37 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3hao h VAL 187 Cb 0.17 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 3hao h VAL 187 CO -0.13 0.34 0.59 0.58 0.02 0.00 0.00 177.57 178.97 3hao h VAL 188 N 0.69 1.24 -0.47 2.57 2.07 -0.81 -1.02 116.25 120.53 3hao h VAL 188 Ca 0.14 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 3hao h VAL 188 Cb 0.44 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 3hao h VAL 188 CO 0.02 0.24 0.08 -0.25 0.02 0.00 0.00 177.57 177.67 3hao h TRP 189 N 1.24 0.82 -0.07 1.57 7.01 -0.96 -1.48 115.95 124.07 3hao h TRP 189 Ca 0.33 -0.11 0.01 0.00 2.11 0.00 0.00 58.89 61.23 3hao h TRP 189 Cb -0.11 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 26.71 3hao h TRP 189 CO -0.00 0.76 -0.01 1.25 -2.79 0.00 0.00 178.44 177.65 3hao h LEU 190 N 0.64 -0.05 -0.64 0.65 5.85 -0.22 -1.11 115.31 120.43 3hao h LEU 190 Ca 0.14 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3hao h LEU 190 Cb 0.38 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.45 3hao h LEU 190 CO 0.01 -0.01 -0.20 2.30 -0.34 0.00 0.00 178.44 180.19 3hao n ILE 191 N -5.12 0.00 -1.30 4.05 -5.35 -0.47 0.82 119.36 111.99 3hao n ILE 191 Ca -0.05 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 3hao n ILE 191 Cb 0.06 0.47 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 3hao n ILE 191 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hao n GLY 192 N 1.31 1.63 0.31 3.28 0.00 -0.56 -0.33 105.19 110.82 3hao n GLY 192 Ca 0.14 -1.91 0.11 0.00 0.00 0.00 0.00 46.02 44.36 3hao n GLY 192 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hao h SER 193 N 0.00 0.11 1.01 1.61 4.64 -1.80 0.22 113.55 119.34 3hao h SER 193 Ca 0.00 -0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 3hao h SER 193 Cb 0.00 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.04 3hao h SER 193 CO 0.00 0.07 -1.05 -0.33 -0.87 0.00 0.00 176.83 174.65 3hao h GLU 194 N 0.12 0.00 0.00 4.77 3.07 -1.90 -3.43 114.58 117.21 3hao h GLU 194 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 3hao h GLU 194 Cb 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 3hao h GLU 194 CO -0.02 0.52 0.00 0.41 -1.40 0.00 0.00 179.01 178.53 3hao n GLY 195 N 1.35 0.73 0.30 -3.84 0.00 -0.44 -4.91 105.19 98.39 3hao n GLY 195 Ca -0.05 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.15 3hao n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hao h ALA 196 N -1.29 1.12 -2.28 4.61 0.00 0.36 -3.46 119.26 118.32 3hao h ALA 196 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 3hao h ALA 196 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hao h ALA 196 CO 0.00 -0.12 -0.39 0.41 0.00 0.00 0.00 179.25 179.15 3hao n GLY 197 N -1.17 -0.24 0.08 0.00 0.00 0.74 -4.93 105.19 99.68 3hao n GLY 197 Ca -0.02 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 3hao n GLY 197 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hao h ILE 198 N -0.12 0.72 -3.42 -0.61 2.04 -1.39 -3.45 117.51 111.28 3hao h ILE 198 Ca -0.36 -1.78 -0.54 0.00 1.00 0.00 0.00 64.86 63.19 3hao h ILE 198 Cb 1.26 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.92 3hao h ILE 198 CO 0.42 0.25 0.36 -0.69 0.00 0.00 0.00 178.15 178.48 3hao s VAL 199 N -2.23 4.85 0.43 1.67 1.01 0.55 -5.01 120.40 121.68 3hao s VAL 199 Ca -0.21 2.04 -0.23 0.00 0.00 0.00 0.00 61.98 63.58 3hao s VAL 199 Cb 0.03 -4.31 -0.08 0.00 0.00 0.00 0.00 36.38 32.01 3hao s VAL 199 CO 0.45 0.17 1.08 -2.16 0.00 0.00 0.00 175.10 174.65 3hao s PRO 200 N 0.94 3.98 0.34 2.72 0.04 -1.26 -3.87 135.00 137.88 3hao s PRO 200 Ca 0.51 1.57 0.13 0.00 0.04 0.00 0.00 61.00 63.26 3hao s PRO 200 Cb -0.21 -2.43 1.09 0.00 0.04 0.00 0.00 34.50 32.99 3hao s PRO 200 CO 0.28 -0.32 1.61 1.25 0.04 0.00 0.00 177.00 179.85 3hao h LEU 201 N 2.21 0.17 -0.07 -3.56 5.85 -1.96 0.12 115.31 118.05 3hao h LEU 201 Ca -0.49 0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.50 3hao h LEU 201 Cb 1.23 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.51 3hao h LEU 201 CO 0.61 -0.32 -0.07 -0.55 -0.34 0.00 0.00 178.44 177.77 3hao h ASN 202 N 0.10 -0.21 -0.40 1.25 7.08 -1.92 0.12 115.58 121.60 3hao h ASN 202 Ca 0.74 0.04 -0.09 0.00 -3.08 0.00 0.00 56.30 53.91 3hao h ASN 202 Cb 1.77 0.11 -0.01 0.00 -2.08 0.00 0.00 38.32 38.11 3hao h ASN 202 CO -0.75 -0.10 -0.09 0.40 -2.08 0.00 0.00 177.43 174.81 3hao h ILE 203 N -0.09 1.27 -0.80 6.14 1.08 -1.24 -2.53 117.51 121.35 3hao h ILE 203 Ca 0.05 -1.18 0.03 0.00 -0.39 0.00 0.00 64.86 63.38 3hao h ILE 203 Cb 0.16 1.22 -0.04 0.00 -3.07 0.00 0.00 36.82 35.08 3hao h ILE 203 CO -0.13 0.40 0.52 -0.08 -0.69 0.00 0.00 178.15 178.17 3hao h GLU 204 N 0.58 0.96 -0.39 2.37 4.81 -0.92 -1.24 114.58 120.75 3hao h GLU 204 Ca 0.10 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 3hao h GLU 204 Cb 0.62 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 3hao h GLU 204 CO 0.04 0.63 -0.19 1.15 -0.73 0.00 0.00 179.01 179.91 3hao h THR 205 N 0.98 1.27 -0.63 0.32 2.02 -0.81 -2.27 112.91 113.80 3hao h THR 205 Ca 0.32 -1.28 -0.06 0.00 0.77 0.00 0.00 66.41 66.16 3hao h THR 205 Cb 0.03 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 3hao h THR 205 CO -0.09 0.43 0.17 0.25 0.37 0.00 0.00 175.52 176.64 3hao h LEU 206 N 0.66 0.94 -0.47 2.58 5.85 -0.84 -1.67 115.31 122.37 3hao h LEU 206 Ca 0.10 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 3hao h LEU 206 Cb 0.68 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3hao h LEU 206 CO 0.05 0.92 0.10 -0.07 -0.34 0.00 0.00 178.44 179.10 3hao h LEU 207 N 0.92 0.72 -0.75 2.25 3.38 -1.11 -1.96 115.31 118.76 3hao h LEU 207 Ca 0.20 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 3hao h LEU 207 Cb 0.34 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3hao h LEU 207 CO -0.00 0.78 -0.60 -0.26 0.09 0.00 0.00 178.44 178.45 3hao h PHE 208 N 0.64 0.10 -0.45 1.13 0.04 -1.39 -2.32 116.94 114.70 3hao h PHE 208 Ca 0.15 -0.04 -0.11 0.00 2.80 0.00 0.00 57.97 60.77 3hao h PHE 208 Cb 0.35 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 3hao h PHE 208 CO 0.02 0.66 -0.14 1.98 -0.60 0.00 0.00 178.31 180.23 3hao h MET 209 N 0.06 0.88 -0.08 1.51 4.05 -1.13 0.43 114.93 120.65 3hao h MET 209 Ca -0.01 -0.35 -0.10 0.00 -0.28 0.00 0.00 59.70 58.96 3hao h MET 209 Cb 1.08 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.82 3hao h MET 209 CO 0.08 1.00 -0.41 0.28 0.23 0.00 0.00 176.91 178.09 3hao h VAL 210 N 0.72 1.31 0.00 -5.77 2.07 -1.22 -1.34 116.25 112.01 3hao h VAL 210 Ca 0.11 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.12 3hao h VAL 210 Cb 0.69 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 3hao h VAL 210 CO 0.05 0.45 -0.00 -0.07 0.02 0.00 0.00 177.57 178.02 3hao h LEU 211 N 0.15 -0.00 0.07 2.57 3.38 -1.31 -2.94 115.31 117.24 3hao h LEU 211 Ca 0.01 -0.91 0.01 0.00 0.09 0.00 0.00 57.88 57.09 3hao h LEU 211 Cb 0.80 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 3hao h LEU 211 CO 0.06 0.94 -0.43 0.44 0.09 0.00 0.00 178.44 179.54 3hao h ASP 212 N -0.99 -1.31 -0.88 -0.43 3.32 -0.08 0.42 116.42 116.48 3hao h ASP 212 Ca -0.00 0.14 0.12 0.00 0.02 0.00 0.00 57.03 57.31 3hao h ASP 212 Cb 0.91 0.49 -0.08 0.00 0.22 0.00 0.00 39.33 40.86 3hao h ASP 212 CO 0.00 -0.45 0.50 0.58 -1.72 0.00 0.00 179.24 178.15 3hao h VAL 213 N -0.59 0.84 -0.39 -1.35 2.07 -1.41 0.16 116.25 115.57 3hao h VAL 213 Ca -0.00 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 3hao h VAL 213 Cb 0.61 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3hao h VAL 213 CO -0.25 0.14 0.00 0.28 0.02 0.00 0.00 177.57 177.76 3hao h SER 214 N 0.77 0.67 1.30 0.57 0.02 -1.26 0.98 113.55 116.60 3hao h SER 214 Ca 0.45 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3hao h SER 214 Cb 0.52 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3hao h SER 214 CO -0.30 0.81 0.00 0.00 -1.14 0.00 0.00 176.83 176.20 3hao h ALA 215 N 0.88 1.00 0.00 3.77 0.00 0.68 -1.03 119.26 124.56 3hao h ALA 215 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hao h ALA 215 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3hao h ALA 215 CO 0.02 0.00 -0.37 1.63 0.00 0.00 0.00 179.25 180.53 3hao n LYS 216 N -3.06 0.20 0.08 0.00 5.02 0.48 -4.23 118.16 116.65 3hao n LYS 216 Ca 0.02 0.08 -0.07 0.00 -2.02 0.00 0.00 58.31 56.32 3hao n LYS 216 Cb 0.37 -0.77 0.07 0.00 -0.02 0.00 0.00 35.03 34.68 3hao n LYS 216 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3hao h VAL 217 N -0.37 1.41 0.45 -0.18 2.07 -1.06 0.11 116.25 118.67 3hao h VAL 217 Ca 0.00 -2.15 -0.02 0.00 0.82 0.00 0.00 66.70 65.34 3hao h VAL 217 Cb 0.37 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 3hao h VAL 217 CO 0.00 0.64 -0.22 1.23 0.02 0.00 0.00 177.57 179.24 3hao h GLY 218 N 1.53 -0.63 -0.15 2.17 0.00 -0.74 -1.04 103.07 104.21 3hao h GLY 218 Ca -0.02 0.23 0.12 0.00 0.00 0.00 0.00 47.33 47.66 3hao h GLY 218 CO 0.11 -0.23 -0.13 -2.75 0.00 0.00 0.00 176.54 173.54 3hao h PHE 219 N -0.97 -0.29 -0.13 5.60 3.04 -1.23 -2.25 116.94 120.71 3hao h PHE 219 Ca -0.06 0.05 0.03 0.00 3.98 0.00 0.00 57.97 61.97 3hao h PHE 219 Cb 0.57 0.22 -0.03 0.00 2.56 0.00 0.00 35.95 39.27 3hao h PHE 219 CO 0.02 -0.24 -0.06 0.78 -2.02 0.00 0.00 178.31 176.78 3hao h GLY 220 N 0.01 0.05 0.59 2.40 0.00 -0.68 -1.38 103.07 104.06 3hao h GLY 220 Ca 0.28 0.08 0.08 0.00 0.00 0.00 0.00 47.33 47.77 3hao h GLY 220 CO -0.59 -0.08 0.51 1.41 0.00 0.00 0.00 176.54 177.79 3hao h LEU 221 N -0.05 0.76 -0.25 3.11 3.38 -0.65 0.33 115.31 121.93 3hao h LEU 221 Ca 0.07 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3hao h LEU 221 Cb 0.16 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3hao h LEU 221 CO -0.17 0.45 -0.06 0.40 0.09 0.00 0.00 178.44 179.16 3hao h ILE 222 N 0.88 1.28 -0.00 1.22 2.04 -1.16 -2.60 117.51 119.16 3hao h ILE 222 Ca 0.40 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 3hao h ILE 222 Cb 0.30 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.85 3hao h ILE 222 CO -0.22 0.33 -0.00 0.25 0.00 0.00 0.00 178.15 178.51 3hao h LEU 223 N 0.23 0.01 -0.97 1.44 5.85 -0.57 -3.25 115.31 118.05 3hao h LEU 223 Ca 0.06 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3hao h LEU 223 Cb 0.52 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3hao h LEU 223 CO 0.02 0.42 0.00 -0.07 -0.34 0.00 0.00 178.44 178.47 3hao h LEU 224 N -0.40 0.00 -0.80 2.25 3.38 -0.47 -2.77 115.31 116.50 3hao h LEU 224 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hao h LEU 224 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3hao h LEU 224 CO 0.00 0.00 -0.32 -2.11 0.09 0.00 0.00 178.44 176.10 3hao n ARG 225 N -2.63 1.12 -2.82 1.13 1.85 -0.98 -4.92 116.66 109.41 3hao n ARG 225 Ca 0.02 -0.80 -0.32 0.00 -1.00 0.00 0.00 57.85 55.75 3hao n ARG 225 Cb 0.28 -1.48 -0.05 0.00 -1.05 0.00 0.00 32.46 30.16 3hao n ARG 225 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3hao s SER 226 N -2.44 6.70 0.24 2.89 0.15 -1.05 -4.98 113.70 115.22 3hao s SER 226 Ca 0.23 1.40 0.25 0.00 0.70 0.00 0.00 55.95 58.52 3hao s SER 226 Cb 0.19 -2.43 0.92 0.00 -1.71 0.00 0.00 66.02 62.99 3hao s SER 226 CO 0.52 -0.38 1.74 0.54 1.20 0.00 0.00 173.24 176.86 3hao n ARG 227 N -0.97 0.22 0.27 5.44 3.00 -1.26 -3.87 116.66 119.49 3hao n ARG 227 Ca 0.05 0.34 0.16 0.00 -0.01 0.00 0.00 57.85 58.39 3hao n ARG 227 Cb 0.54 -1.85 0.66 0.00 0.00 0.00 0.00 32.46 31.81 3hao n ARG 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3hao h ALA 228 N 2.37 1.02 -0.01 7.54 0.00 -1.89 -3.27 119.26 125.02 3hao h ALA 228 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hao h ALA 228 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3hao h ALA 228 CO 0.00 0.06 -0.04 0.44 0.00 0.00 0.00 179.25 179.70 3hao n ILE 229 N -3.17 0.00 -2.62 0.00 -5.35 -1.25 -4.89 119.36 102.08 3hao n ILE 229 Ca 0.00 -0.09 -0.42 0.00 -0.27 0.00 0.00 62.75 61.98 3hao n ILE 229 Cb 0.32 -0.10 -0.03 0.00 -1.74 0.00 0.00 39.64 38.09 3hao n ILE 229 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3hao s PHE 230 N -2.20 3.63 -2.98 4.28 0.40 -1.24 -2.43 117.98 117.44 3hao s PHE 230 Ca 0.38 1.61 0.24 0.00 -0.60 0.00 0.00 56.93 58.56 3hao s PHE 230 Cb 0.21 -3.20 0.22 0.00 0.51 0.00 0.00 43.02 40.76 3hao s PHE 230 CO 0.40 -0.34 1.28 0.41 0.70 0.00 0.00 175.22 177.67