#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hd7 h SER 27 N 0.00 0.00 0.00 1.61 0.02 -2.06 -3.27 113.55 109.85 3hd7 h SER 27 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hd7 h SER 27 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3hd7 h SER 27 CO 0.00 0.00 0.00 1.41 -1.14 0.00 0.00 176.83 177.10 3hd7 n HIS 28 N -2.49 0.00 0.00 3.45 -0.00 -1.26 -1.67 115.22 113.25 3hd7 n HIS 28 Ca 0.05 -0.39 0.00 0.00 -0.00 0.00 0.00 57.72 57.38 3hd7 n HIS 28 Cb 0.44 -0.22 0.00 0.00 -0.00 0.00 0.00 29.99 30.20 3hd7 n HIS 28 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 3hd7 n MET 29 N 0.69 0.00 0.02 -0.41 0.00 -1.23 -4.69 117.12 111.50 3hd7 n MET 29 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.70 57.60 3hd7 n MET 29 Cb 0.37 -0.42 0.05 0.00 0.00 0.00 0.00 33.22 33.21 3hd7 n MET 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3hd7 h ARG 30 N 0.00 0.50 -0.85 2.12 2.47 -1.64 -1.36 114.38 115.63 3hd7 h ARG 30 Ca 0.00 -0.35 0.03 0.00 -1.26 0.00 0.00 59.98 58.41 3hd7 h ARG 30 Cb 0.00 0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.32 3hd7 h ARG 30 CO 0.00 0.96 0.54 0.00 0.56 0.00 0.00 179.97 182.04 3hd7 h ARG 31 N 0.37 1.02 -0.27 0.04 3.08 -1.62 0.63 114.38 117.63 3hd7 h ARG 31 Ca -0.01 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 59.80 3hd7 h ARG 31 Cb 1.17 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.99 3hd7 h ARG 31 CO 0.11 0.68 -0.53 -0.07 -1.07 0.00 0.00 179.97 179.09 3hd7 h LEU 32 N 1.05 0.88 -0.90 3.04 3.38 -1.81 0.73 115.31 121.69 3hd7 h LEU 32 Ca 0.34 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3hd7 h LEU 32 Cb 0.01 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.51 3hd7 h LEU 32 CO -0.12 1.24 0.00 -0.61 0.09 0.00 0.00 178.44 179.04 3hd7 h GLN 33 N 0.62 0.00 0.00 1.13 4.15 -0.54 -0.92 115.11 119.54 3hd7 h GLN 33 Ca 0.02 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 3hd7 h GLN 33 Cb 1.12 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.81 3hd7 h GLN 33 CO 0.11 0.00 -0.49 1.96 -1.93 0.00 0.00 178.83 178.49 3hd7 h GLN 34 N 0.00 0.00 -0.95 1.69 1.08 0.40 -3.22 115.11 114.12 3hd7 h GLN 34 Ca 0.00 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.32 3hd7 h GLN 34 Cb 0.52 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.87 3hd7 h GLN 34 CO 0.00 0.09 0.60 1.15 -0.95 0.00 0.00 178.83 179.73 3hd7 h THR 35 N -1.00 0.91 -0.09 -0.54 2.02 -0.90 0.12 112.91 113.43 3hd7 h THR 35 Ca -0.03 -0.30 -0.12 0.00 0.77 0.00 0.00 66.41 66.73 3hd7 h THR 35 Cb 0.50 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3hd7 h THR 35 CO -0.02 0.16 -0.47 -0.61 0.37 0.00 0.00 175.52 174.96 3hd7 h GLN 36 N 0.89 0.22 -0.00 6.66 5.75 -1.37 -1.97 115.11 125.29 3hd7 h GLN 36 Ca 0.46 -0.12 -0.00 0.00 -0.15 0.00 0.00 58.65 58.85 3hd7 h GLN 36 Cb 0.53 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.08 3hd7 h GLN 36 CO -0.23 0.65 0.00 0.00 -2.65 0.00 0.00 178.83 176.60 3hd7 h ALA 37 N 1.34 0.00 0.02 3.38 0.00 -0.86 -2.34 119.26 120.81 3hd7 h ALA 37 Ca 0.01 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3hd7 h ALA 37 Cb 0.90 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 3hd7 h ALA 37 CO 0.07 -0.42 -0.47 1.96 0.00 0.00 0.00 179.25 180.38 3hd7 h GLN 38 N -0.15 -0.62 -0.10 0.00 7.50 -0.88 -2.78 115.11 118.08 3hd7 h GLN 38 Ca 0.00 0.04 0.04 0.00 0.50 0.00 0.00 58.65 59.23 3hd7 h GLN 38 Cb 0.15 0.14 -0.06 0.00 0.05 0.00 0.00 27.48 27.76 3hd7 h GLN 38 CO -0.00 -0.41 -0.38 0.28 -1.50 0.00 0.00 178.83 176.82 3hd7 h VAL 39 N -0.64 0.20 -0.93 -0.54 2.07 -1.32 0.12 116.25 115.21 3hd7 h VAL 39 Ca 0.03 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.82 3hd7 h VAL 39 Cb 0.70 0.20 -0.15 0.00 -1.52 0.00 0.00 31.29 30.53 3hd7 h VAL 39 CO -0.32 0.00 0.37 0.44 0.02 0.00 0.00 177.57 178.08 3hd7 h ASP 40 N -0.47 0.21 -0.29 0.57 3.32 -1.37 0.43 116.42 118.82 3hd7 h ASP 40 Ca 0.08 0.20 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 3hd7 h ASP 40 Cb 0.60 0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 3hd7 h ASP 40 CO -0.36 -0.15 0.06 -0.08 -1.72 0.00 0.00 179.24 176.99 3hd7 h GLU 41 N 0.26 0.47 -0.17 3.56 4.81 -0.72 0.76 114.58 123.54 3hd7 h GLU 41 Ca 0.63 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.66 3hd7 h GLU 41 Cb 1.35 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 3hd7 h GLU 41 CO -0.64 0.56 -0.25 0.28 -0.73 0.00 0.00 179.01 178.23 3hd7 h VAL 42 N 0.29 1.25 -0.16 0.32 2.07 -0.15 -1.15 116.25 118.73 3hd7 h VAL 42 Ca 0.09 -1.16 -0.19 0.00 0.82 0.00 0.00 66.70 66.26 3hd7 h VAL 42 Cb 0.32 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3hd7 h VAL 42 CO 0.00 0.36 -0.68 0.58 0.02 0.00 0.00 177.57 177.85 3hd7 h VAL 43 N 0.27 1.32 -0.34 2.57 2.07 -0.70 -1.35 116.25 120.09 3hd7 h VAL 43 Ca 0.04 -1.95 -0.03 0.00 0.82 0.00 0.00 66.70 65.59 3hd7 h VAL 43 Cb 0.60 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 3hd7 h VAL 43 CO 0.04 0.61 0.09 0.44 0.02 0.00 0.00 177.57 178.77 3hd7 h ASP 44 N 0.45 0.45 0.09 0.57 5.19 -0.45 -1.95 116.42 120.77 3hd7 h ASP 44 Ca -0.02 -0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.33 3hd7 h ASP 44 Cb 1.26 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.66 3hd7 h ASP 44 CO 0.13 0.45 -0.04 0.40 -3.12 0.00 0.00 179.24 177.06 3hd7 h ILE 45 N 0.49 1.12 0.00 0.35 2.04 -1.04 -3.26 117.51 117.20 3hd7 h ILE 45 Ca 0.12 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 65.11 3hd7 h ILE 45 Cb 0.18 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 3hd7 h ILE 45 CO -0.01 0.20 -0.17 0.24 0.00 0.00 0.00 178.15 178.42 3hd7 h MET 46 N -0.51 0.00 -0.34 2.37 2.86 -0.97 -0.62 114.93 117.72 3hd7 h MET 46 Ca -0.01 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.65 3hd7 h MET 46 Cb 0.42 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 3hd7 h MET 46 CO 0.02 0.17 0.19 0.00 1.06 0.00 0.00 176.91 178.34 3hd7 h ARG 47 N 0.00 0.37 -0.48 1.72 3.08 -1.42 -1.27 114.38 116.39 3hd7 h ARG 47 Ca -0.00 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3hd7 h ARG 47 Cb 0.35 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 3hd7 h ARG 47 CO 0.02 0.24 0.23 0.28 -1.07 0.00 0.00 179.97 179.68 3hd7 h VAL 48 N 0.38 1.19 0.00 2.04 2.07 -1.33 -2.90 116.25 117.70 3hd7 h VAL 48 Ca 0.14 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 3hd7 h VAL 48 Cb 0.03 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3hd7 h VAL 48 CO -0.08 0.21 -0.09 0.78 0.02 0.00 0.00 177.57 178.41 3hd7 h ASN 49 N 0.63 0.00 1.18 0.57 4.21 -0.71 -0.46 115.58 121.00 3hd7 h ASN 49 Ca 0.16 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.51 3hd7 h ASN 49 Cb 0.11 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.29 3hd7 h ASN 49 CO -0.02 0.09 -0.82 0.58 -1.29 0.00 0.00 177.43 175.96 3hd7 h VAL 50 N 0.00 1.29 -0.04 2.81 2.07 -1.11 -2.18 116.25 119.09 3hd7 h VAL 50 Ca -0.00 -2.85 -0.12 0.00 0.82 0.00 0.00 66.70 64.55 3hd7 h VAL 50 Cb 0.19 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 3hd7 h VAL 50 CO 0.01 0.74 -0.52 0.44 0.02 0.00 0.00 177.57 178.26 3hd7 h ASP 51 N 0.00 0.13 0.27 0.57 3.32 -0.93 0.25 116.42 120.03 3hd7 h ASP 51 Ca -0.02 -0.06 -0.25 0.00 0.02 0.00 0.00 57.03 56.71 3hd7 h ASP 51 Cb 1.61 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 41.13 3hd7 h ASP 51 CO 0.10 0.63 -1.05 0.11 -1.72 0.00 0.00 179.24 177.30 3hd7 h LYS 52 N 0.09 0.49 -0.17 3.56 1.57 -1.24 -2.57 116.57 118.29 3hd7 h LYS 52 Ca 0.00 -0.58 -0.16 0.00 -1.87 0.00 0.00 60.65 58.04 3hd7 h LYS 52 Cb 0.95 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 3hd7 h LYS 52 CO 0.07 1.21 -0.57 0.28 -0.57 0.00 0.00 179.45 179.88 3hd7 h VAL 53 N 0.25 1.33 -0.24 0.50 2.07 -1.29 -1.78 116.25 117.09 3hd7 h VAL 53 Ca -0.12 -1.83 -0.06 0.00 0.82 0.00 0.00 66.70 65.51 3hd7 h VAL 53 Cb 1.71 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 33.27 3hd7 h VAL 53 CO 0.19 0.57 -0.11 0.25 0.02 0.00 0.00 177.57 178.49 3hd7 h LEU 54 N 0.41 0.37 -0.14 2.57 7.12 -0.49 -1.15 115.31 123.99 3hd7 h LEU 54 Ca 0.00 -0.08 -0.23 0.00 0.13 0.00 0.00 57.88 57.70 3hd7 h LEU 54 Cb 1.11 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 41.15 3hd7 h LEU 54 CO 0.11 0.52 -0.97 -0.33 -0.13 0.00 0.00 178.44 177.63 3hd7 h GLU 55 N 0.37 0.40 0.00 1.25 5.08 -1.40 -3.10 114.58 117.18 3hd7 h GLU 55 Ca 0.07 -0.45 -0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3hd7 h GLU 55 Cb 0.42 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 3hd7 h GLU 55 CO 0.02 1.12 -0.01 -0.09 -1.00 0.00 0.00 179.01 179.05 3hd7 h ARG 56 N 0.22 0.00 -0.05 2.33 2.43 -0.51 0.22 114.38 119.02 3hd7 h ARG 56 Ca -0.09 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.83 3hd7 h ARG 56 Cb 1.62 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 31.19 3hd7 h ARG 56 CO 0.17 0.01 -0.95 0.22 -1.51 0.00 0.00 179.97 177.92 3hd7 h ASP 57 N 0.00 0.92 0.09 -3.80 1.82 -1.17 -1.49 116.42 112.79 3hd7 h ASP 57 Ca -0.00 -0.70 -0.00 0.00 -0.39 0.00 0.00 57.03 55.93 3hd7 h ASP 57 Cb 0.21 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 39.94 3hd7 h ASP 57 CO 0.00 1.49 -0.04 1.56 -1.61 0.00 0.00 179.24 180.64 3hd7 h GLN 58 N 0.44 -0.11 -0.80 0.28 4.20 -1.22 0.16 115.11 118.05 3hd7 h GLN 58 Ca -0.10 0.01 0.14 0.00 0.06 0.00 0.00 58.65 58.75 3hd7 h GLN 58 Cb 1.59 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 29.34 3hd7 h GLN 58 CO 0.19 0.42 0.53 0.87 -0.67 0.00 0.00 178.83 180.16 3hd7 h LYS 59 N -0.76 0.53 0.18 1.46 1.79 -0.74 -0.59 116.57 118.44 3hd7 h LYS 59 Ca -0.01 -0.03 -0.31 0.00 -2.18 0.00 0.00 60.65 58.12 3hd7 h LYS 59 Cb 0.58 -0.12 0.02 0.00 -1.58 0.00 0.00 32.23 31.13 3hd7 h LYS 59 CO 0.02 0.35 -1.40 1.25 -1.08 0.00 0.00 179.45 178.60 3hd7 h LEU 60 N 0.55 0.60 -1.00 2.94 5.85 -1.25 -3.08 115.31 119.91 3hd7 h LEU 60 Ca 0.39 -0.67 -0.10 0.00 0.84 0.00 0.00 57.88 58.35 3hd7 h LEU 60 Cb 0.74 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3hd7 h LEU 60 CO -0.15 1.53 -0.47 -1.28 -0.34 0.00 0.00 178.44 177.73 3hd7 h SER 61 N 0.10 0.00 0.54 1.25 0.87 -0.00 -2.34 113.55 113.97 3hd7 h SER 61 Ca -0.21 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.19 3hd7 h SER 61 Cb 2.06 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.01 3hd7 h SER 61 CO 0.23 0.47 -0.73 -0.08 -0.53 0.00 0.00 176.83 176.19 3hd7 h GLU 62 N 0.00 0.15 0.00 2.24 4.81 -1.19 -3.13 114.58 117.47 3hd7 h GLU 62 Ca -0.00 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.02 3hd7 h GLU 62 Cb 0.88 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 3hd7 h GLU 62 CO 0.06 0.81 -0.37 1.25 -0.73 0.00 0.00 179.01 180.04 3hd7 h LEU 63 N 0.10 0.00 -1.48 1.64 5.85 -1.41 -2.94 115.31 117.07 3hd7 h LEU 63 Ca -0.02 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 3hd7 h LEU 63 Cb 1.29 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 3hd7 h LEU 63 CO 0.11 0.37 -0.25 -0.78 -0.34 0.00 0.00 178.44 177.55 3hd7 h ASP 64 N 0.00 0.00 0.03 1.25 3.58 -1.37 -1.41 116.42 118.50 3hd7 h ASP 64 Ca -0.00 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.34 3hd7 h ASP 64 Cb 1.21 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.27 3hd7 h ASP 64 CO 0.05 0.25 -0.43 0.44 -2.88 0.00 0.00 179.24 176.66 3hd7 h ASP 65 N 0.00 0.33 1.16 2.28 3.32 -1.54 -2.94 116.42 119.04 3hd7 h ASP 65 Ca -0.00 -0.83 0.00 0.00 0.02 0.00 0.00 57.03 56.22 3hd7 h ASP 65 Cb 0.55 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3hd7 h ASP 65 CO 0.03 1.12 0.00 0.03 -1.72 0.00 0.00 179.24 178.70 3hd7 h ARG 66 N -0.42 0.00 -0.08 3.56 3.08 -1.46 0.21 114.38 119.28 3hd7 h ARG 66 Ca -0.06 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.77 3hd7 h ARG 66 Cb 1.21 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.27 3hd7 h ARG 66 CO 0.08 0.00 -0.83 0.00 -1.07 0.00 0.00 179.97 178.16 3hd7 h ALA 67 N 2.03 0.39 0.14 0.04 0.00 -1.29 -2.68 119.26 117.89 3hd7 h ALA 67 Ca 0.00 -0.63 -0.29 0.00 0.00 0.00 0.00 54.91 53.98 3hd7 h ALA 67 Cb 0.58 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.35 3hd7 h ALA 67 CO 0.00 0.73 -1.35 0.22 0.00 0.00 0.00 179.25 178.86 3hd7 h ASP 68 N 0.38 0.46 -0.01 0.00 3.58 -1.30 -2.79 116.42 116.74 3hd7 h ASP 68 Ca -0.06 -0.53 0.00 0.00 0.42 0.00 0.00 57.03 56.86 3hd7 h ASP 68 Cb 1.44 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.34 3hd7 h ASP 68 CO 0.16 1.42 0.00 0.00 -2.88 0.00 0.00 179.24 177.94 3hd7 n ALA 69 N -2.59 2.52 0.00 -0.78 0.00 0.72 -2.81 120.51 117.56 3hd7 n ALA 69 Ca -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3hd7 n ALA 69 Cb 1.04 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 3hd7 n ALA 69 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3hd7 n LEU 70 N -0.14 1.78 0.28 0.00 7.94 -1.01 -4.42 117.00 121.44 3hd7 n LEU 70 Ca 0.01 0.00 0.15 0.00 -1.11 0.00 0.00 56.01 55.06 3hd7 n LEU 70 Cb 0.19 0.00 0.84 0.00 0.53 0.00 0.00 43.42 44.98 3hd7 n LEU 70 CO 0.01 0.27 1.04 0.06 -1.11 0.00 0.00 177.39 177.66 3hd7 h GLN 71 N 0.00 0.00 0.08 1.96 -0.00 -1.51 0.19 115.11 115.83 3hd7 h GLN 71 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3hd7 h GLN 71 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.22 3hd7 h GLN 71 CO 0.00 0.07 -0.04 0.00 -0.00 0.00 0.00 178.83 178.85 3hd7 h ALA 72 N 1.93 -0.11 0.00 0.06 0.00 -1.79 -1.60 119.26 117.75 3hd7 h ALA 72 Ca -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3hd7 h ALA 72 Cb 0.22 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3hd7 h ALA 72 CO 0.01 -0.20 -0.08 0.78 0.00 0.00 0.00 179.25 179.77 3hd7 h GLY 73 N -0.85 0.00 1.77 0.00 0.00 -1.69 0.03 103.07 102.33 3hd7 h GLY 73 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.09 3hd7 h GLY 73 CO 0.02 0.00 -1.16 0.00 0.00 0.00 0.00 176.54 175.40 3hd7 h ALA 74 N 1.92 0.40 0.00 3.60 0.00 -0.69 -1.64 119.26 122.85 3hd7 h ALA 74 Ca -0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 54.91 53.86 3hd7 h ALA 74 Cb 0.44 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3hd7 h ALA 74 CO 0.01 1.28 -0.16 1.03 0.00 0.00 0.00 179.25 181.41 3hd7 h SER 75 N 0.01 0.00 0.00 0.00 0.87 -0.52 -0.02 113.55 113.88 3hd7 h SER 75 Ca -0.08 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.45 3hd7 h SER 75 Cb 1.84 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.79 3hd7 h SER 75 CO 0.13 0.16 -0.22 -0.61 -0.53 0.00 0.00 176.83 175.77 3hd7 h GLN 76 N 0.00 0.00 0.00 2.24 4.15 -1.00 -2.99 115.11 117.51 3hd7 h GLN 76 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 3hd7 h GLN 76 Cb 0.99 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.68 3hd7 h GLN 76 CO 0.02 0.87 -0.07 0.35 -1.93 0.00 0.00 178.83 178.07 3hd7 h PHE 77 N -1.00 0.00 0.64 3.99 3.57 -1.38 -1.55 116.94 121.22 3hd7 h PHE 77 Ca -0.06 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.42 3hd7 h PHE 77 Cb 0.93 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 3hd7 h PHE 77 CO 0.21 0.07 -0.42 1.49 -2.23 0.00 0.00 178.31 177.43 3hd7 h GLU 78 N 0.00 -0.97 -0.81 1.11 4.22 -1.03 -1.83 114.58 115.26 3hd7 h GLU 78 Ca -0.00 0.07 0.03 0.00 0.08 0.00 0.00 59.36 59.53 3hd7 h GLU 78 Cb 0.25 0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 3hd7 h GLU 78 CO 0.01 -0.65 0.54 1.15 -2.18 0.00 0.00 179.01 177.88 3hd7 h THR 79 N -1.01 1.15 0.00 0.32 2.02 -1.30 -1.12 112.91 112.98 3hd7 h THR 79 Ca -0.09 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.74 3hd7 h THR 79 Cb 0.81 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3hd7 h THR 79 CO 0.07 0.19 0.00 0.28 0.37 0.00 0.00 175.52 176.43 3hd7 h SER 80 N 1.03 0.00 0.24 4.18 0.02 -1.19 -1.89 113.55 115.95 3hd7 h SER 80 Ca 0.32 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.92 3hd7 h SER 80 Cb -0.01 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3hd7 h SER 80 CO -0.09 0.00 -1.85 0.00 -1.14 0.00 0.00 176.83 173.75 3hd7 h ALA 81 N 2.07 0.43 0.00 3.77 0.00 -0.35 -3.26 119.26 121.92 3hd7 h ALA 81 Ca 0.00 -1.33 -0.04 0.00 0.00 0.00 0.00 54.91 53.53 3hd7 h ALA 81 Cb 0.37 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3hd7 h ALA 81 CO 0.00 1.29 -0.21 0.00 0.00 0.00 0.00 179.25 180.33 3hd7 h ALA 82 N 0.29 1.41 -0.02 0.00 0.00 -1.04 -2.69 119.26 117.21 3hd7 h ALA 82 Ca -0.37 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 3hd7 h ALA 82 Cb 2.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.80 3hd7 h ALA 82 CO 0.11 0.27 -0.06 0.87 0.00 0.00 0.00 179.25 180.44 3hd7 h LYS 83 N 0.00 0.08 0.00 0.00 1.57 -1.47 -2.57 116.57 114.18 3hd7 h LYS 83 Ca -0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3hd7 h LYS 83 Cb 0.44 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 3hd7 h LYS 83 CO 0.03 0.66 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.46 3hd7 h LEU 84 N -0.49 0.00 0.27 2.94 3.38 -1.57 0.44 115.31 120.29 3hd7 h LEU 84 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3hd7 h LEU 84 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3hd7 h LEU 84 CO 0.01 0.03 -0.13 0.50 0.09 0.00 0.00 178.44 178.95 3hd7 h LYS 85 N 0.00 -0.35 -0.97 1.13 3.64 -1.44 -2.84 116.57 115.74 3hd7 h LYS 85 Ca -0.00 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 3hd7 h LYS 85 Cb 0.06 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 3hd7 h LYS 85 CO 0.00 0.00 0.64 0.00 -2.27 0.00 0.00 179.45 177.83 3hd7 h ARG 86 N -0.85 1.20 -0.92 1.90 2.47 -1.16 -1.13 114.38 115.89 3hd7 h ARG 86 Ca -0.04 -0.07 0.12 0.00 -1.26 0.00 0.00 59.98 58.73 3hd7 h ARG 86 Cb 0.51 -0.27 -0.07 0.00 -1.65 0.00 0.00 29.97 28.49 3hd7 h ARG 86 CO 0.06 0.79 0.59 -0.22 0.56 0.00 0.00 179.97 181.75 3hd7 h LYS 87 N 1.24 0.82 0.00 0.04 3.64 -0.93 0.18 116.57 121.56 3hd7 h LYS 87 Ca 0.39 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 3hd7 h LYS 87 Cb -0.01 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 3hd7 h LYS 87 CO -0.12 0.54 -1.25 0.66 -2.27 0.00 0.00 179.45 177.01 3hd7 n TYR 88 N -4.56 0.43 -0.05 1.91 4.01 -0.95 -1.38 117.16 116.58 3hd7 n TYR 88 Ca 0.17 0.13 -0.14 0.00 -0.16 0.00 0.00 57.90 57.90 3hd7 n TYR 88 Cb 0.38 -0.62 -0.08 0.00 -0.31 0.00 0.00 39.34 38.71 3hd7 n TYR 88 CO 0.00 0.00 0.00 2.35 -0.46 0.00 0.00 176.86 178.75 3hd7 h TRP 89 N 0.00 0.43 0.21 -0.72 7.01 -0.81 -0.20 115.95 121.86 3hd7 h TRP 89 Ca 0.00 -0.14 0.01 0.00 2.11 0.00 0.00 58.89 60.86 3hd7 h TRP 89 Cb 0.88 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.83 3hd7 h TRP 89 CO 0.00 0.80 -0.28 -1.49 -2.79 0.00 0.00 178.44 174.68 3hd7 h TRP 90 N -0.07 -0.74 -0.96 2.65 4.06 -1.06 0.19 115.95 120.03 3hd7 h TRP 90 Ca 0.01 0.01 0.16 0.00 2.06 0.00 0.00 58.89 61.13 3hd7 h TRP 90 Cb 0.75 0.30 -0.08 0.00 -1.00 0.00 0.00 29.16 29.13 3hd7 h TRP 90 CO 0.10 -0.39 0.61 -0.22 -3.56 0.00 0.00 178.44 174.97 3hd7 h LYS 91 N -0.54 0.74 -0.36 0.49 1.63 -1.26 -1.27 116.57 116.00 3hd7 h LYS 91 Ca 0.01 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.66 3hd7 h LYS 91 Cb 0.53 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 3hd7 h LYS 91 CO -0.10 0.49 -0.20 -0.97 -3.45 0.00 0.00 179.45 175.23 3hd7 h ASN 92 N 0.77 0.80 0.19 4.20 -1.24 -0.62 -3.24 115.58 116.44 3hd7 h ASN 92 Ca 0.50 -0.41 0.01 0.00 0.71 0.00 0.00 56.30 57.10 3hd7 h ASN 92 Cb 0.76 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.57 3hd7 h ASN 92 CO -0.27 1.04 -0.23 0.25 -1.29 0.00 0.00 177.43 176.93 3hd7 h LEU 93 N 0.56 -0.61 -1.02 0.34 5.85 0.22 -2.26 115.31 118.38 3hd7 h LEU 93 Ca 0.08 0.06 0.22 0.00 0.84 0.00 0.00 57.88 59.08 3hd7 h LEU 93 Cb 0.75 0.22 -0.12 0.00 0.37 0.00 0.00 40.66 41.88 3hd7 h LEU 93 CO 0.06 -0.33 0.61 0.11 -0.34 0.00 0.00 178.44 178.55 3hd7 h LYS 94 N -0.47 0.64 -0.31 1.25 1.57 -1.55 -1.32 116.57 116.39 3hd7 h LYS 94 Ca 0.01 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3hd7 h LYS 94 Cb 0.45 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3hd7 h LYS 94 CO -0.07 0.43 0.15 0.52 -0.57 0.00 0.00 179.45 179.90 3hd7 h MET 95 N 0.66 0.45 -0.68 3.15 2.86 -1.44 -1.17 114.93 118.77 3hd7 h MET 95 Ca 0.61 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 58.14 3hd7 h MET 95 Cb 1.08 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.63 3hd7 h MET 95 CO -0.42 0.42 0.24 1.98 1.06 0.00 0.00 176.91 180.19 3hd7 h MET 96 N 0.37 1.04 0.75 1.72 1.85 -1.00 0.27 114.93 119.93 3hd7 h MET 96 Ca 0.11 -0.21 -0.03 0.00 -0.61 0.00 0.00 59.70 58.96 3hd7 h MET 96 Cb 0.12 -0.16 -0.00 0.00 0.43 0.00 0.00 31.60 31.98 3hd7 h MET 96 CO -0.01 0.88 -0.47 0.82 -0.40 0.00 0.00 176.91 177.73 3hd7 h ILE 97 N 0.98 0.00 -0.99 1.77 2.04 -1.31 0.33 117.51 120.32 3hd7 h ILE 97 Ca 0.22 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.24 3hd7 h ILE 97 Cb 0.25 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.24 3hd7 h ILE 97 CO -0.01 0.00 0.61 0.40 0.00 0.00 0.00 178.15 179.15 3hd7 h ILE 98 N -1.15 0.81 -0.72 -0.67 2.04 -1.07 0.40 117.51 117.15 3hd7 h ILE 98 Ca -0.10 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.40 3hd7 h ILE 98 Cb 0.92 -0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 3hd7 h ILE 98 CO 0.10 0.16 0.22 0.25 0.00 0.00 0.00 178.15 178.88 3hd7 h LEU 99 N 0.87 1.05 0.30 1.44 5.85 -0.29 -1.77 115.31 122.76 3hd7 h LEU 99 Ca 0.53 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 59.04 3hd7 h LEU 99 Cb 0.68 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 3hd7 h LEU 99 CO -0.32 0.98 -0.49 1.23 -0.34 0.00 0.00 178.44 179.50 3hd7 h GLY 100 N 1.06 -1.11 0.71 3.75 0.00 0.38 0.86 103.07 108.72 3hd7 h GLY 100 Ca 0.23 0.58 0.01 0.00 0.00 0.00 0.00 47.33 48.14 3hd7 h GLY 100 CO -0.01 -0.32 -0.23 -0.39 0.00 0.00 0.00 176.54 175.60 3hd7 h VAL 101 N -0.85 0.51 0.00 4.60 -1.51 -1.05 -0.32 116.25 117.62 3hd7 h VAL 101 Ca -0.03 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.44 3hd7 h VAL 101 Cb 0.79 0.51 -0.00 0.00 -2.13 0.00 0.00 31.29 30.46 3hd7 h VAL 101 CO -0.17 0.00 -0.03 -0.29 -1.23 0.00 0.00 177.57 175.86 3hd7 h ILE 102 N -0.47 0.79 0.00 7.19 2.10 -1.21 0.54 117.51 126.45 3hd7 h ILE 102 Ca 0.00 -0.10 -0.18 0.00 1.08 0.00 0.00 64.86 65.66 3hd7 h ILE 102 Cb 0.45 1.06 -0.03 0.00 -1.09 0.00 0.00 36.82 37.21 3hd7 h ILE 102 CO -0.07 0.03 -1.02 0.00 -1.08 0.00 0.00 178.15 176.01 3hd7 h ALA 104 N 1.26 0.29 0.21 0.00 0.00 0.76 -2.30 119.26 119.48 3hd7 h ALA 104 Ca -0.08 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 3hd7 h ALA 104 Cb 1.63 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 3hd7 h ALA 104 CO 0.08 0.09 -0.35 0.82 0.00 0.00 0.00 179.25 179.89 3hd7 h ILE 105 N 0.13 0.00 -1.28 0.00 2.04 -1.02 0.22 117.51 117.60 3hd7 h ILE 105 Ca 0.05 0.00 0.37 0.00 1.00 0.00 0.00 64.86 66.28 3hd7 h ILE 105 Cb 0.53 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.55 3hd7 h ILE 105 CO 0.02 0.00 0.90 0.40 0.00 0.00 0.00 178.15 179.47 3hd7 h ILE 106 N -0.60 0.35 0.13 -0.67 2.04 -1.55 -0.25 117.51 116.96 3hd7 h ILE 106 Ca -0.02 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 3hd7 h ILE 106 Cb 0.55 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3hd7 h ILE 106 CO -0.12 0.01 -0.06 0.25 0.00 0.00 0.00 178.15 178.23 3hd7 h LEU 107 N 0.08 -0.15 -0.41 1.44 5.85 -0.61 -1.61 115.31 119.89 3hd7 h LEU 107 Ca 0.65 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 59.01 3hd7 h LEU 107 Cb 2.37 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 43.37 3hd7 h LEU 107 CO -0.10 0.41 -0.37 0.40 -0.34 0.00 0.00 178.44 178.44 3hd7 h ILE 108 N -0.80 0.00 -0.38 4.05 2.04 0.11 -1.23 117.51 121.30 3hd7 h ILE 108 Ca -0.02 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.91 3hd7 h ILE 108 Cb 0.54 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.54 3hd7 h ILE 108 CO 0.03 0.00 -0.42 0.40 0.00 0.00 0.00 178.15 178.16 3hd7 h ILE 109 N -0.16 0.12 0.00 -0.67 2.04 -1.39 0.90 117.51 118.34 3hd7 h ILE 109 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 3hd7 h ILE 109 Cb 0.34 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3hd7 h ILE 109 CO -0.47 0.00 0.16 -0.29 0.00 0.00 0.00 178.15 177.55 3hd7 h ILE 110 N -0.34 0.00 0.02 -0.67 2.10 -0.57 -2.31 117.51 115.74 3hd7 h ILE 110 Ca 0.13 0.00 -0.35 0.00 1.08 0.00 0.00 64.86 65.72 3hd7 h ILE 110 Cb 0.58 0.47 -0.05 0.00 -1.09 0.00 0.00 36.82 36.73 3hd7 h ILE 110 CO -0.55 0.00 -1.99 -0.38 -1.08 0.00 0.00 178.15 174.15 3hd7 n ILE 111 N -2.31 1.57 -0.32 2.19 5.41 0.20 -4.14 119.36 121.96 3hd7 n ILE 111 Ca -0.01 -0.34 -0.04 0.00 1.00 0.00 0.00 62.75 63.35 3hd7 n ILE 111 Cb 0.19 -1.84 0.09 0.00 -0.71 0.00 0.00 39.64 37.37 3hd7 n ILE 111 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 176.55 178.17 3hd7 h VAL 112 N -0.64 1.26 -0.55 1.39 3.04 -0.72 0.98 116.25 121.00 3hd7 h VAL 112 Ca -0.51 -0.70 -0.36 0.00 -1.01 0.00 0.00 66.70 64.12 3hd7 h VAL 112 Cb 1.63 0.12 -0.16 0.00 -2.01 0.00 0.00 31.29 30.87 3hd7 h VAL 112 CO -0.20 0.31 0.46 -1.22 -1.01 0.00 0.00 177.57 175.91 3hd7 n TYR 113 N -4.31 1.77 -0.70 3.17 4.01 -0.98 -3.64 117.16 116.48 3hd7 n TYR 113 Ca 0.09 -1.96 0.00 0.00 -0.16 0.00 0.00 57.90 55.87 3hd7 n TYR 113 Cb 0.12 -0.96 0.00 0.00 -0.31 0.00 0.00 39.34 38.20 3hd7 n TYR 113 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3hd7 n PHE 114 N 0.05 0.00 -2.25 -0.72 3.72 -0.89 -4.99 117.46 112.39 3hd7 n PHE 114 Ca 0.35 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.33 3hd7 n PHE 114 Cb 0.70 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.24 3hd7 n PHE 114 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3hd7 n SER 115 N 0.00 5.60 0.00 4.37 3.41 0.29 -5.06 113.62 122.24 3hd7 n SER 115 Ca 0.00 -3.10 0.00 0.00 -0.26 0.00 0.00 58.87 55.51 3hd7 n SER 115 Cb 0.00 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 62.49 3hd7 n SER 115 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29