#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hfi s LEU 2 N 0.00 4.36 -0.56 4.03 2.96 -1.26 -4.91 118.68 123.30 2hfi s LEU 2 Ca 0.00 2.86 -0.27 0.00 -0.22 0.00 0.00 54.13 56.50 2hfi s LEU 2 Cb 0.00 -3.62 0.03 0.00 0.50 0.00 0.00 46.19 43.10 2hfi s LEU 2 CO 0.00 -0.87 1.12 -0.44 -1.32 0.00 0.00 176.35 174.84 2hfi s SER 3 N 0.60 6.45 -0.39 3.68 0.01 -1.26 -4.98 113.70 117.82 2hfi s SER 3 Ca 0.64 0.05 -0.04 0.00 1.31 0.00 0.00 55.95 57.92 2hfi s SER 3 Cb -0.47 -2.52 0.09 0.00 0.21 0.00 0.00 66.02 63.33 2hfi s SER 3 CO 0.44 -1.39 0.17 -1.58 0.41 0.00 0.00 173.24 171.29 2hfi s GLN 4 N 4.64 2.23 -0.81 12.44 -0.44 -1.26 -4.93 119.66 131.53 2hfi s GLN 4 Ca 0.41 -1.61 -0.26 0.00 -2.50 0.00 0.00 55.36 51.40 2hfi s GLN 4 Cb -0.09 -3.53 -0.12 0.00 -1.64 0.00 0.00 33.01 27.63 2hfi s GLN 4 CO 0.25 -0.94 2.32 0.99 0.50 0.00 0.00 175.29 178.41 2hfi s THR 5 N 1.23 3.09 0.00 -0.34 2.01 -1.26 -1.94 115.64 118.44 2hfi s THR 5 Ca 0.04 -0.08 0.00 0.00 0.31 0.00 0.00 61.69 61.97 2hfi s THR 5 Cb -0.22 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.08 2hfi s THR 5 CO -0.02 -0.20 0.00 -0.11 -0.69 0.00 0.00 174.62 173.60 2hfi n LEU 6 N 17.76 0.00 -0.12 4.42 7.94 -1.26 -4.97 117.00 140.76 2hfi n LEU 6 Ca 0.45 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 55.34 2hfi n LEU 6 Cb 0.44 0.00 0.23 0.00 0.53 0.00 0.00 43.42 44.62 2hfi n LEU 6 CO 0.56 0.00 1.03 0.25 -1.11 0.00 0.00 177.39 178.12 2hfi h LEU 7 N 0.00 0.73 -1.78 -1.96 5.85 -1.80 -2.35 115.31 114.00 2hfi h LEU 7 Ca 0.00 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2hfi h LEU 7 Cb 0.00 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 2hfi h LEU 7 CO 0.00 0.68 0.04 -0.33 -0.34 0.00 0.00 178.44 178.48 2hfi h GLU 8 N 0.78 0.17 -0.38 1.25 3.07 -1.94 0.77 114.58 118.32 2hfi h GLU 8 Ca 0.18 -0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 58.92 2hfi h GLU 8 Cb 0.19 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 2hfi h GLU 8 CO -0.01 0.16 -0.18 1.98 -1.40 0.00 0.00 179.01 179.56 2hfi h MET 9 N 0.18 0.78 -0.41 2.33 4.05 -1.82 0.28 114.93 120.33 2hfi h MET 9 Ca 0.05 -0.34 -0.06 0.00 -0.28 0.00 0.00 59.70 59.07 2hfi h MET 9 Cb 0.06 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.82 2hfi h MET 9 CO -0.00 0.96 0.04 1.15 0.23 0.00 0.00 176.91 179.29 2hfi h THR 10 N 0.58 1.25 -0.44 -0.77 2.02 -1.28 -2.15 112.91 112.13 2hfi h THR 10 Ca 0.08 -0.93 -0.05 0.00 0.77 0.00 0.00 66.41 66.28 2hfi h THR 10 Cb 0.73 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 2hfi h THR 10 CO 0.05 0.32 0.08 -0.33 0.37 0.00 0.00 175.52 176.01 2hfi h GLU 11 N 0.53 0.67 -0.44 6.66 5.08 -0.71 -0.57 114.58 125.79 2hfi h GLU 11 Ca 0.12 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2hfi h GLU 11 Cb 0.42 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2hfi h GLU 11 CO 0.01 0.63 0.25 0.37 -1.00 0.00 0.00 179.01 179.27 2hfi h GLN 12 N 0.64 0.60 -0.58 2.33 5.75 -0.24 -1.17 115.11 122.46 2hfi h GLN 12 Ca 0.14 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.51 2hfi h GLN 12 Cb 0.28 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 2hfi h GLN 12 CO 0.00 0.47 0.09 1.98 -2.65 0.00 0.00 178.83 178.72 2hfi h MET 13 N 0.58 0.92 -0.01 1.69 4.05 -0.78 -1.67 114.93 119.71 2hfi h MET 13 Ca 0.16 -0.22 0.02 0.00 -0.28 0.00 0.00 59.70 59.37 2hfi h MET 13 Cb 0.03 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.69 2hfi h MET 13 CO -0.03 0.86 -0.08 0.82 0.23 0.00 0.00 176.91 178.71 2hfi h ILE 14 N 0.87 0.79 0.08 1.77 2.04 -0.76 -1.24 117.51 121.07 2hfi h ILE 14 Ca 0.18 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.04 2hfi h ILE 14 Cb 0.38 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 2hfi h ILE 14 CO 0.01 0.00 -0.06 -0.08 0.00 0.00 0.00 178.15 178.01 2hfi h GLU 15 N -0.14 -0.15 -0.59 2.37 4.57 -0.95 0.61 114.58 120.31 2hfi h GLU 15 Ca 0.03 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.22 2hfi h GLU 15 Cb 0.18 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 2hfi h GLU 15 CO -0.09 -0.10 0.36 0.28 -1.18 0.00 0.00 179.01 178.29 2hfi h VAL 16 N -0.15 1.17 -0.26 0.32 2.07 -1.23 0.28 116.25 118.44 2hfi h VAL 16 Ca -0.00 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 2hfi h VAL 16 Cb 0.14 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 2hfi h VAL 16 CO -0.01 0.17 0.02 0.00 0.02 0.00 0.00 177.57 177.77 2hfi h ALA 17 N 1.19 0.35 -0.25 1.67 0.00 -1.05 0.19 119.26 121.36 2hfi h ALA 17 Ca 0.21 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2hfi h ALA 17 Cb -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2hfi h ALA 17 CO -0.04 0.07 -0.40 0.93 0.00 0.00 0.00 179.25 179.81 2hfi h GLU 18 N 0.25 0.59 0.00 0.00 5.08 -0.60 -0.98 114.58 118.92 2hfi h GLU 18 Ca 0.08 -0.30 -0.13 0.00 -1.00 0.00 0.00 59.36 58.01 2hfi h GLU 18 Cb 0.39 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2hfi h GLU 18 CO 0.01 0.89 -0.61 0.87 -1.00 0.00 0.00 179.01 179.17 2hfi h LYS 19 N 0.49 0.00 -0.41 2.33 1.57 -0.41 0.13 116.57 120.27 2hfi h LYS 19 Ca 0.04 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 2hfi h LYS 19 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 2hfi h LYS 19 CO 0.08 0.61 0.00 0.78 -0.57 0.00 0.00 179.45 180.35 2hfi h GLY 20 N 3.21 0.77 1.27 3.86 0.00 -0.41 -0.09 103.07 111.68 2hfi h GLY 20 Ca -0.01 -0.57 -0.10 0.00 0.00 0.00 0.00 47.33 46.66 2hfi h GLY 20 CO 0.08 0.52 -0.09 0.00 0.00 0.00 0.00 176.54 177.05 2hfi h ALA 21 N 0.89 0.94 -0.69 3.60 0.00 -1.11 -2.33 119.26 120.56 2hfi h ALA 21 Ca 0.11 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2hfi h ALA 21 Cb 0.48 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2hfi h ALA 21 CO 0.02 0.62 0.45 0.22 0.00 0.00 0.00 179.25 180.56 2hfi h ASP 22 N 0.78 0.76 -0.37 0.00 3.58 -0.53 0.26 116.42 120.90 2hfi h ASP 22 Ca 0.13 -0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.59 2hfi h ASP 22 Cb 0.60 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.43 2hfi h ASP 22 CO 0.04 0.55 0.18 -0.09 -2.88 0.00 0.00 179.24 177.03 2hfi h ARG 23 N 0.90 0.36 -1.00 0.28 9.65 -0.84 -1.12 114.38 122.62 2hfi h ARG 23 Ca 0.26 -0.02 0.05 0.00 -1.10 0.00 0.00 59.98 59.16 2hfi h ARG 23 Cb -0.07 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 28.37 2hfi h ARG 23 CO -0.07 0.24 0.65 -0.92 2.80 0.00 0.00 179.97 182.67 2hfi h TYR 24 N 0.37 1.21 -0.15 2.20 3.20 -0.82 -1.82 116.97 121.17 2hfi h TYR 24 Ca 0.16 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 2hfi h TYR 24 Cb 0.07 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 37.92 2hfi h TYR 24 CO -0.10 0.68 -0.15 1.96 -1.64 0.00 0.00 178.16 178.91 2hfi h GLN 25 N 1.23 0.24 0.00 1.82 4.20 0.32 -0.21 115.11 122.71 2hfi h GLN 25 Ca 0.41 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 59.04 2hfi h GLN 25 Cb 0.05 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 2hfi h GLN 25 CO -0.14 0.39 -0.08 0.93 -0.67 0.00 0.00 178.83 179.26 2hfi h GLU 26 N 0.23 0.00 0.00 1.46 5.08 -0.51 -3.50 114.58 117.34 2hfi h GLU 26 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2hfi h GLU 26 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2hfi h GLU 26 CO 0.02 0.08 0.00 0.41 -1.00 0.00 0.00 179.01 178.52 2hfi n GLY 27 N 0.72 1.51 3.57 -3.84 0.00 -0.09 -4.88 105.19 102.18 2hfi n GLY 27 Ca 0.02 -2.20 -0.39 0.00 0.00 0.00 0.00 46.02 43.46 2hfi n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hfi s LYS 28 N -1.34 3.53 -0.02 1.61 -2.85 -1.26 -4.25 119.74 115.16 2hfi s LYS 28 Ca 0.00 -1.56 0.00 0.00 -1.00 0.00 0.00 55.97 53.41 2hfi s LYS 28 Cb 0.00 -5.42 0.02 0.00 -2.06 0.00 0.00 37.83 30.37 2hfi s LYS 28 CO 0.00 -2.66 1.56 0.09 0.10 0.00 0.00 175.35 174.45 2hfi n ASN 29 N 10.01 4.34 -1.01 0.03 3.02 -1.26 -3.55 115.26 126.84 2hfi n ASN 29 Ca 0.45 -2.27 0.08 0.00 -0.03 0.00 0.00 54.58 52.81 2hfi n ASN 29 Cb 0.47 -0.85 0.24 0.00 -0.61 0.00 0.00 39.78 39.04 2hfi n ASN 29 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2hfi n SER 30 N 0.99 3.68 -0.22 6.41 2.88 -1.26 -4.50 113.62 121.61 2hfi n SER 30 Ca 0.02 -2.29 -0.03 0.00 -1.33 0.00 0.00 58.87 55.23 2hfi n SER 30 Cb 0.52 -0.41 0.07 0.00 -0.75 0.00 0.00 64.21 63.64 2hfi n SER 30 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 2hfi h ASN 31 N 2.78 0.59 -3.42 -3.46 -0.73 -1.97 -3.40 115.58 105.96 2hfi h ASN 31 Ca 0.00 0.01 -0.46 0.00 1.87 0.00 0.00 56.30 57.73 2hfi h ASN 31 Cb 1.07 -0.11 -0.34 0.00 0.27 0.00 0.00 38.32 39.21 2hfi h ASN 31 CO 0.10 0.40 -0.79 -2.28 -0.37 0.00 0.00 177.43 174.49 2hfi s HIS 32 N -6.12 1.06 0.02 0.67 2.46 -1.26 -5.08 115.29 107.04 2hfi s HIS 32 Ca -0.13 -0.36 0.00 0.00 0.47 0.00 0.00 55.06 55.04 2hfi s HIS 32 Cb 0.15 -0.85 0.00 0.00 -0.13 0.00 0.00 32.58 31.75 2hfi s HIS 32 CO 0.76 -0.24 0.00 0.43 -2.47 0.00 0.00 174.74 173.21 2hfi n SER 33 N 4.03 -1.69 -2.74 9.88 7.64 -1.26 -5.01 113.62 124.47 2hfi n SER 33 Ca -0.23 0.11 -0.11 0.00 1.01 0.00 0.00 58.87 59.65 2hfi n SER 33 Cb 0.51 -0.31 0.06 0.00 -1.01 0.00 0.00 64.21 63.46 2hfi n SER 33 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2hfi n TYR 34 N -0.87 -1.66 -2.09 1.43 4.01 -1.26 -4.65 117.16 112.07 2hfi n TYR 34 Ca 0.00 0.64 -0.33 0.00 -0.16 0.00 0.00 57.90 58.05 2hfi n TYR 34 Cb 0.05 -3.93 0.00 0.00 -0.31 0.00 0.00 39.34 35.16 2hfi n TYR 34 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2hfi s ASP 35 N -3.62 5.89 0.21 7.72 2.15 -1.26 -4.93 116.67 122.84 2hfi s ASP 35 Ca 0.17 1.79 -0.09 0.00 0.43 0.00 0.00 52.55 54.84 2hfi s ASP 35 Cb -0.02 -2.53 0.31 0.00 -0.30 0.00 0.00 42.92 40.38 2hfi s ASP 35 CO 0.52 -1.09 1.72 0.15 -0.17 0.00 0.00 175.17 176.31 2hfi h PHE 36 N 0.51 0.32 0.00 -5.34 3.57 -1.97 -1.91 116.94 112.13 2hfi h PHE 36 Ca -0.47 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.06 2hfi h PHE 36 Cb 1.22 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.91 2hfi h PHE 36 CO 0.59 0.03 0.00 0.74 -2.23 0.00 0.00 178.31 177.45 2hfi h PHE 37 N 0.34 0.00 -0.13 0.41 0.04 -1.93 0.20 116.94 115.87 2hfi h PHE 37 Ca 0.33 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.98 2hfi h PHE 37 Cb 0.45 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.61 2hfi h PHE 37 CO -0.20 0.00 -0.36 0.93 -0.60 0.00 0.00 178.31 178.07 2hfi h GLU 38 N 0.00 0.48 0.00 1.51 5.08 -1.73 -3.41 114.58 116.51 2hfi h GLU 38 Ca 0.00 -0.34 -0.30 0.00 -1.00 0.00 0.00 59.36 57.72 2hfi h GLU 38 Cb 0.83 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.08 2hfi h GLU 38 CO 0.00 0.96 -2.05 2.41 -1.00 0.00 0.00 179.01 179.33 2hfi n THR 39 N -4.33 1.04 -1.74 1.13 -1.04 -1.05 -4.67 114.28 103.61 2hfi n THR 39 Ca -0.07 -0.33 -0.40 0.00 -2.04 0.00 0.00 64.05 61.21 2hfi n THR 39 Cb 0.52 -1.47 -0.01 0.00 -1.82 0.00 0.00 70.33 67.55 2hfi n THR 39 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2hfi n ILE 40 N -3.47 4.53 0.13 12.58 2.08 0.70 -3.42 119.36 132.49 2hfi n ILE 40 Ca -0.35 -3.49 0.00 0.00 0.56 0.00 0.00 62.75 59.47 2hfi n ILE 40 Cb 0.80 -2.39 0.00 0.00 -0.75 0.00 0.00 39.64 37.30 2hfi n ILE 40 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 2hfi n LYS 41 N 3.32 0.00 -0.24 0.38 3.00 -1.26 -4.76 118.16 118.59 2hfi n LYS 41 Ca 0.64 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.88 2hfi n LYS 41 Cb 0.28 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.35 2hfi n LYS 41 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2hfi h PRO 42 N 0.00 1.03 -0.17 1.64 0.13 -1.83 -2.06 132.00 130.73 2hfi h PRO 42 Ca 0.00 -0.20 -0.18 0.00 -0.87 0.00 0.00 66.00 64.75 2hfi h PRO 42 Cb 0.00 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 30.97 2hfi h PRO 42 CO 0.00 0.87 -0.63 0.00 -0.23 0.00 0.00 178.00 178.01 2hfi h ALA 43 N 1.11 0.56 -0.96 -0.56 0.00 -1.89 -3.19 119.26 114.33 2hfi h ALA 43 Ca 0.22 -0.55 0.02 0.00 0.00 0.00 0.00 54.91 54.60 2hfi h ALA 43 Cb 0.24 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2hfi h ALA 43 CO -0.01 0.70 0.63 0.28 0.00 0.00 0.00 179.25 180.85 2hfi h VAL 44 N 0.46 1.22 -0.64 0.00 2.07 -1.67 0.31 116.25 118.00 2hfi h VAL 44 Ca -0.01 -0.44 0.07 0.00 0.82 0.00 0.00 66.70 67.14 2hfi h VAL 44 Cb 1.21 -0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 2hfi h VAL 44 CO 0.12 0.23 0.33 -0.33 0.02 0.00 0.00 177.57 177.94 2hfi h GLU 45 N 1.27 0.59 -0.12 1.57 4.39 -1.37 0.14 114.58 121.05 2hfi h GLU 45 Ca 0.36 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.97 2hfi h GLU 45 Cb -0.10 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.42 2hfi h GLU 45 CO -0.09 0.39 -0.15 0.93 -1.16 0.00 0.00 179.01 178.93 2hfi h GLU 46 N 0.60 0.31 -0.30 2.33 4.39 -1.32 -2.81 114.58 117.78 2hfi h GLU 46 Ca 0.30 -0.18 0.06 0.00 0.34 0.00 0.00 59.36 59.88 2hfi h GLU 46 Cb 0.24 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.85 2hfi h GLU 46 CO -0.21 0.73 -0.02 -0.91 -1.16 0.00 0.00 179.01 177.44 2hfi h ASN 47 N -0.09 -0.17 0.16 1.42 -0.26 -0.00 0.43 115.58 117.08 2hfi h ASN 47 Ca 0.02 0.07 0.01 0.00 -0.56 0.00 0.00 56.30 55.84 2hfi h ASN 47 Cb 0.69 0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 38.06 2hfi h ASN 47 CO 0.04 -0.05 -0.23 -0.78 -1.06 0.00 0.00 177.43 175.35 2hfi h ASP 48 N 0.06 -0.63 -0.89 5.81 3.58 -0.78 0.87 116.42 124.44 2hfi h ASP 48 Ca 0.15 0.07 0.02 0.00 0.42 0.00 0.00 57.03 57.69 2hfi h ASP 48 Cb 0.20 0.23 -0.05 0.00 1.72 0.00 0.00 39.33 41.44 2hfi h ASP 48 CO -0.26 -0.32 0.58 -0.33 -2.88 0.00 0.00 179.24 176.03 2hfi h GLU 49 N -0.45 1.13 0.28 0.28 4.39 -1.23 -1.45 114.58 117.53 2hfi h GLU 49 Ca 0.02 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2hfi h GLU 49 Cb 0.45 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2hfi h GLU 49 CO -0.10 0.75 -0.13 1.25 -1.16 0.00 0.00 179.01 179.61 2hfi h LEU 50 N 1.16 -0.32 -0.66 1.33 5.85 0.35 -0.37 115.31 122.65 2hfi h LEU 50 Ca 0.34 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.99 2hfi h LEU 50 Cb -0.06 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2hfi h LEU 50 CO -0.10 -0.16 0.30 0.00 -0.34 0.00 0.00 178.44 178.15 2hfi h ALA 51 N 0.26 0.86 -0.27 1.25 0.00 -0.71 0.20 119.26 120.85 2hfi h ALA 51 Ca -0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2hfi h ALA 51 Cb 0.34 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2hfi h ALA 51 CO 0.06 0.44 0.04 0.00 0.00 0.00 0.00 179.25 179.78 2hfi h ALA 52 N 1.14 0.35 -0.29 0.00 0.00 -1.18 -1.87 119.26 117.40 2hfi h ALA 52 Ca 0.23 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2hfi h ALA 52 Cb 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2hfi h ALA 52 CO -0.03 0.05 -0.33 -0.09 0.00 0.00 0.00 179.25 178.86 2hfi h ARG 53 N 0.25 0.63 -0.62 0.00 1.12 -0.90 -2.89 114.38 111.98 2hfi h ARG 53 Ca 0.08 -0.29 -0.02 0.00 -1.11 0.00 0.00 59.98 58.65 2hfi h ARG 53 Cb 0.35 -0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.27 2hfi h ARG 53 CO 0.01 0.87 0.32 2.35 -3.11 0.00 0.00 179.97 180.41 2hfi h TRP 54 N 0.54 0.86 -0.54 2.20 7.01 -0.46 -0.74 115.95 124.82 2hfi h TRP 54 Ca 0.06 -0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.08 2hfi h TRP 54 Cb 0.82 -0.27 -0.05 0.00 -2.10 0.00 0.00 29.16 27.56 2hfi h TRP 54 CO 0.04 0.64 0.27 0.00 -2.79 0.00 0.00 178.44 176.60 2hfi h ALA 55 N 1.15 0.70 -0.26 2.65 0.00 -1.22 -0.20 119.26 122.07 2hfi h ALA 55 Ca 0.22 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2hfi h ALA 55 Cb 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2hfi h ALA 55 CO -0.03 -0.07 0.11 1.49 0.00 0.00 0.00 179.25 180.74 2hfi h GLU 56 N 0.53 0.23 -0.57 0.00 4.81 -1.23 0.20 114.58 118.55 2hfi h GLU 56 Ca 0.24 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 2hfi h GLU 56 Cb 0.16 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 2hfi h GLU 56 CO -0.17 0.15 0.33 0.78 -0.73 0.00 0.00 179.01 179.37 2hfi h GLY 57 N 0.24 0.84 0.90 1.92 0.00 -0.52 0.96 103.07 107.40 2hfi h GLY 57 Ca 0.11 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 2hfi h GLY 57 CO -0.10 0.35 -0.03 0.00 0.00 0.00 0.00 176.54 176.76 2hfi h ALA 58 N 1.16 0.43 -0.41 3.60 0.00 -0.86 -2.88 119.26 120.29 2hfi h ALA 58 Ca 0.20 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2hfi h ALA 58 Cb 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2hfi h ALA 58 CO -0.04 0.21 0.08 -0.07 0.00 0.00 0.00 179.25 179.44 2hfi h LEU 59 N 0.36 0.56 -0.15 0.00 3.38 -0.76 -2.55 115.31 116.15 2hfi h LEU 59 Ca 0.08 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2hfi h LEU 59 Cb 0.50 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 2hfi h LEU 59 CO 0.02 0.57 -0.11 -0.08 0.09 0.00 0.00 178.44 178.93 2hfi h GLU 60 N 0.59 -0.11 -0.73 1.13 4.57 -0.62 -2.26 114.58 117.14 2hfi h GLU 60 Ca 0.13 0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.26 2hfi h GLU 60 Cb 0.25 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.83 2hfi h GLU 60 CO -0.00 -0.08 0.22 -0.07 -1.18 0.00 0.00 179.01 177.90 2hfi h LEU 61 N -0.12 1.07 -0.84 1.64 4.07 -1.26 -2.52 115.31 117.35 2hfi h LEU 61 Ca 0.09 -0.21 -0.09 0.00 0.08 0.00 0.00 57.88 57.76 2hfi h LEU 61 Cb 0.26 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 2hfi h LEU 61 CO -0.23 1.00 -0.43 0.16 -1.08 0.00 0.00 178.44 177.87 2hfi h ILE 62 N 1.10 0.98 0.00 1.22 3.07 -1.30 -1.00 117.51 121.58 2hfi h ILE 62 Ca 0.24 -1.68 -0.20 0.00 1.55 0.00 0.00 64.86 64.77 2hfi h ILE 62 Cb 0.32 2.00 -0.03 0.00 -0.27 0.00 0.00 36.82 38.84 2hfi h ILE 62 CO -0.01 0.42 -0.99 0.07 -1.05 0.00 0.00 178.15 176.59 2hfi h LYS 63 N 0.00 0.00 0.22 0.16 2.10 -1.23 -3.34 116.57 114.48 2hfi h LYS 63 Ca -0.00 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.32 2hfi h LYS 63 Cb 0.97 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 32.32 2hfi h LYS 63 CO 0.06 0.83 -1.53 0.28 -2.00 0.00 0.00 179.45 177.08 2hfi h VAL 64 N 0.00 1.16 -3.03 0.07 2.07 -1.24 -3.49 116.25 111.80 2hfi h VAL 64 Ca -0.04 -2.61 -0.14 0.00 0.82 0.00 0.00 66.70 64.73 2hfi h VAL 64 Cb 1.71 2.94 -0.03 0.00 -1.52 0.00 0.00 31.29 34.40 2hfi h VAL 64 CO 0.11 0.82 -0.06 -2.11 0.02 0.00 0.00 177.57 176.35 2hfi n ARG 65 N -3.71 0.40 -3.45 1.57 1.85 -0.40 -5.11 116.66 107.80 2hfi n ARG 65 Ca -0.20 -1.47 -0.39 0.00 -1.00 0.00 0.00 57.85 54.79 2hfi n ARG 65 Cb 1.07 1.45 -0.09 0.00 -1.05 0.00 0.00 32.46 33.83 2hfi n ARG 65 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2hfi s ARG 66 N -2.39 4.01 0.62 2.89 3.00 -1.26 -4.20 118.95 121.62 2hfi s ARG 66 Ca 0.15 -0.05 -0.09 0.00 0.00 0.00 0.00 55.73 55.73 2hfi s ARG 66 Cb -0.01 -3.64 -0.01 0.00 0.00 0.00 0.00 34.95 31.29 2hfi s ARG 66 CO 0.11 -0.22 0.99 -1.25 0.00 0.00 0.00 175.30 174.93 2hfi s PRO 67 N 1.89 3.25 -0.20 3.54 0.05 -1.26 -5.04 135.00 137.22 2hfi s PRO 67 Ca 0.13 0.45 -0.09 0.00 0.05 0.00 0.00 61.00 61.54 2hfi s PRO 67 Cb -0.16 -2.14 -0.09 0.00 0.05 0.00 0.00 34.50 32.16 2hfi s PRO 67 CO 0.10 -0.68 -0.25 1.63 0.05 0.00 0.00 177.00 177.85 2hfi n LYS 68 N -2.73 0.43 -0.10 4.56 4.01 -1.26 -4.86 118.16 118.21 2hfi n LYS 68 Ca 0.05 0.18 -0.19 0.00 -0.51 0.00 0.00 58.31 57.84 2hfi n LYS 68 Cb 0.56 -1.23 -0.08 0.00 -0.51 0.00 0.00 35.03 33.76 2hfi n LYS 68 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2hfi n TYR 69 N -3.80 0.69 -2.33 2.13 4.01 -1.26 -4.98 117.16 111.63 2hfi n TYR 69 Ca -0.39 0.30 -0.35 0.00 -0.16 0.00 0.00 57.90 57.30 2hfi n TYR 69 Cb 0.79 -0.95 -0.01 0.00 -0.31 0.00 0.00 39.34 38.86 2hfi n TYR 69 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2hfi s VAL 70 N -2.42 3.30 0.11 -0.72 0.11 -1.26 -5.01 120.40 114.51 2hfi s VAL 70 Ca -0.28 0.84 0.04 0.00 -2.93 0.00 0.00 61.98 59.66 2hfi s VAL 70 Cb 0.07 -3.36 -0.04 0.00 -1.53 0.00 0.00 36.38 31.52 2hfi s VAL 70 CO 0.47 -0.14 -0.11 -1.00 -3.33 0.00 0.00 175.10 170.99 2hfi s HIS 71 N -1.77 1.17 0.18 1.54 3.76 -1.26 -4.87 115.29 114.04 2hfi s HIS 71 Ca 0.70 -0.63 -0.13 0.00 -0.15 0.00 0.00 55.06 54.84 2hfi s HIS 71 Cb -0.23 -0.63 0.08 0.00 1.11 0.00 0.00 32.58 32.92 2hfi s HIS 71 CO 0.27 0.05 1.83 -0.22 -0.85 0.00 0.00 174.74 175.82 2hfi h LYS 72 N 3.50 0.78 -0.70 1.40 3.64 -2.00 -1.86 116.57 121.33 2hfi h LYS 72 Ca -0.38 -0.06 0.10 0.00 -1.27 0.00 0.00 60.65 59.04 2hfi h LYS 72 Cb 1.19 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.80 2hfi h LYS 72 CO 0.53 0.54 0.46 0.93 -2.27 0.00 0.00 179.45 179.64 2hfi h GLU 73 N 0.79 0.55 -0.13 1.90 5.08 -2.00 -1.76 114.58 119.01 2hfi h GLU 73 Ca 0.21 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 2hfi h GLU 73 Cb -0.05 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 2hfi h GLU 73 CO -0.04 0.36 -0.16 1.96 -1.00 0.00 0.00 179.01 180.13 2hfi h GLN 74 N 0.56 0.34 -0.89 2.33 1.08 -1.78 -2.92 115.11 113.83 2hfi h GLN 74 Ca 0.33 -0.19 0.04 0.00 -1.45 0.00 0.00 58.65 57.38 2hfi h GLN 74 Cb 0.52 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.90 2hfi h GLN 74 CO -0.11 0.75 0.57 0.82 -0.95 0.00 0.00 178.83 179.91 2hfi h ILE 75 N -0.05 1.11 0.00 2.54 2.04 -0.75 0.36 117.51 122.76 2hfi h ILE 75 Ca 0.02 -0.37 -0.09 0.00 1.00 0.00 0.00 64.86 65.42 2hfi h ILE 75 Cb 0.70 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2hfi h ILE 75 CO 0.04 0.20 -0.43 -0.33 0.00 0.00 0.00 178.15 177.62 2hfi h GLU 76 N 1.08 0.00 0.18 2.37 5.08 -1.47 -3.19 114.58 118.64 2hfi h GLU 76 Ca 0.37 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.46 2hfi h GLU 76 Cb 0.06 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.34 2hfi h GLU 76 CO -0.14 0.43 -1.14 0.00 -1.00 0.00 0.00 179.01 177.16 2hfi h ALA 77 N 1.57 -0.11 -0.93 3.43 0.00 -1.05 -3.34 119.26 118.83 2hfi h ALA 77 Ca -0.00 -0.77 0.12 0.00 0.00 0.00 0.00 54.91 54.26 2hfi h ALA 77 Cb 0.98 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 2hfi h ALA 77 CO 0.06 0.55 0.59 0.28 0.00 0.00 0.00 179.25 180.73 2hfi h VAL 78 N -0.05 0.90 -0.03 0.00 2.07 -0.96 0.01 116.25 118.18 2hfi h VAL 78 Ca -0.19 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.06 2hfi h VAL 78 Cb 1.89 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 2hfi h VAL 78 CO 0.22 0.15 -0.11 0.50 0.02 0.00 0.00 177.57 178.35 2hfi h LYS 79 N 0.85 -0.17 0.01 1.57 3.64 -1.67 0.22 116.57 121.01 2hfi h LYS 79 Ca 0.45 0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.65 2hfi h LYS 79 Cb 0.55 0.04 0.02 0.00 -0.41 0.00 0.00 32.23 32.43 2hfi h LYS 79 CO -0.22 -0.11 -0.75 0.22 -2.27 0.00 0.00 179.45 176.32 2hfi h ASP 80 N -0.17 0.64 -0.77 4.20 3.58 -1.59 -3.10 116.42 119.21 2hfi h ASP 80 Ca 0.05 -0.77 0.04 0.00 0.42 0.00 0.00 57.03 56.77 2hfi h ASP 80 Cb 0.24 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.05 2hfi h ASP 80 CO -0.14 1.33 0.51 0.78 -2.88 0.00 0.00 179.24 178.84 2hfi h ASN 81 N 0.02 0.81 -0.20 2.28 4.21 -0.92 -1.96 115.58 119.82 2hfi h ASN 81 Ca -0.10 -0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.39 2hfi h ASN 81 Cb 1.46 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 38.46 2hfi h ASN 81 CO 0.15 0.55 0.09 0.15 -1.29 0.00 0.00 177.43 177.08 2hfi h PHE 82 N 0.94 0.30 -0.53 1.19 3.57 -0.57 0.21 116.94 122.05 2hfi h PHE 82 Ca 0.31 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.78 2hfi h PHE 82 Cb 0.05 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 2hfi h PHE 82 CO -0.00 0.33 0.32 -0.07 -2.23 0.00 0.00 178.31 176.67 2hfi h LEU 83 N 0.18 0.63 -0.35 0.59 3.38 -1.37 -1.49 115.31 116.88 2hfi h LEU 83 Ca 0.07 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2hfi h LEU 83 Cb 0.15 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2hfi h LEU 83 CO -0.01 0.49 0.12 -0.33 0.09 0.00 0.00 178.44 178.81 2hfi h GLU 84 N 0.71 0.54 -0.18 1.13 4.39 -1.25 -2.33 114.58 117.59 2hfi h GLU 84 Ca 0.19 -0.11 0.05 0.00 0.34 0.00 0.00 59.36 59.83 2hfi h GLU 84 Cb -0.02 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.49 2hfi h GLU 84 CO -0.04 0.55 -0.20 1.25 -1.16 0.00 0.00 179.01 179.41 2hfi h LEU 85 N 0.42 -0.64 -0.28 1.33 6.46 -0.09 0.96 115.31 123.46 2hfi h LEU 85 Ca 0.12 0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.98 2hfi h LEU 85 Cb 0.23 0.30 -0.01 0.00 -0.73 0.00 0.00 40.66 40.45 2hfi h LEU 85 CO -0.01 -0.25 0.14 0.58 -0.62 0.00 0.00 178.44 178.28 2hfi h VAL 86 N -0.23 1.15 0.38 1.05 2.07 -1.28 -1.26 116.25 118.12 2hfi h VAL 86 Ca 0.12 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 2hfi h VAL 86 Cb 0.41 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2hfi h VAL 86 CO -0.32 0.15 -0.20 0.25 0.02 0.00 0.00 177.57 177.47 2hfi h LEU 87 N 0.33 -0.50 -0.32 2.57 5.85 -0.87 -2.74 115.31 119.63 2hfi h LEU 87 Ca 0.10 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2hfi h LEU 87 Cb 0.11 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2hfi h LEU 87 CO -0.01 -0.34 0.00 0.00 -0.34 0.00 0.00 178.44 177.75 2hfi n GLN 88 N -5.33 1.22 0.19 1.25 10.64 0.28 -2.82 117.38 122.81 2hfi n GLN 88 Ca -0.11 -0.32 0.05 0.00 -1.83 0.00 0.00 57.00 54.79 2hfi n GLN 88 Cb 0.24 -1.45 0.39 0.00 -0.86 0.00 0.00 30.24 28.56 2hfi n GLN 88 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 2hfi h SER 89 N 0.75 0.00 0.00 2.61 0.87 -0.90 -1.45 113.55 115.43 2hfi h SER 89 Ca 0.00 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.23 2hfi h SER 89 Cb 0.16 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.07 2hfi h SER 89 CO 0.00 0.36 -2.07 -1.22 -0.53 0.00 0.00 176.83 173.37 2hfi n TYR 90 N -3.73 0.00 0.09 2.24 4.01 -1.14 -4.70 117.16 113.93 2hfi n TYR 90 Ca -0.01 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.61 2hfi n TYR 90 Cb 0.45 -0.73 -0.07 0.00 -0.31 0.00 0.00 39.34 38.68 2hfi n TYR 90 CO 0.00 0.00 0.00 -0.39 -0.46 0.00 0.00 176.86 176.01 2hfi h VAL 91 N -0.77 1.50 -5.31 -0.72 -1.51 -1.66 -3.48 116.25 104.30 2hfi h VAL 91 Ca -0.50 -2.81 -0.00 0.00 -1.23 0.00 0.00 66.70 62.16 2hfi h VAL 91 Cb 1.41 2.65 0.00 0.00 -2.13 0.00 0.00 31.29 33.22 2hfi h VAL 91 CO -0.30 0.82 -1.00 1.41 -1.23 0.00 0.00 177.57 177.27 2hfi n HIS 92 N -3.60 -3.49 -1.50 5.19 8.25 -0.55 -4.96 115.22 114.57 2hfi n HIS 92 Ca -0.05 1.54 -0.05 0.00 -0.26 0.00 0.00 57.72 58.90 2hfi n HIS 92 Cb 0.89 -3.63 0.19 0.00 1.12 0.00 0.00 29.99 28.57 2hfi n HIS 92 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2hfi n HIS 93 N 0.78 1.10 -4.30 4.41 1.44 -1.26 -5.00 115.22 112.39 2hfi n HIS 93 Ca 0.00 -1.66 -0.18 0.00 -2.01 0.00 0.00 57.72 53.87 2hfi n HIS 93 Cb 0.07 -0.49 -0.06 0.00 0.12 0.00 0.00 29.99 29.63 2hfi n HIS 93 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 2hfi n ILE 94 N -1.11 0.00 0.00 0.61 -5.35 -1.26 -5.13 119.36 107.11 2hfi n ILE 94 Ca 0.33 -1.98 0.00 0.00 -0.27 0.00 0.00 62.75 60.83 2hfi n ILE 94 Cb 1.01 0.88 0.00 0.00 -1.74 0.00 0.00 39.64 39.78 2hfi n ILE 94 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 2hfi n HIS 95 N -0.62 0.00 0.07 4.28 -0.00 -1.26 -5.07 115.22 112.62 2hfi n HIS 95 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.74 2hfi n HIS 95 Cb 0.50 -0.05 0.00 0.00 -0.00 0.00 0.00 29.99 30.43 2hfi n HIS 95 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2hfi n LYS 96 N -1.58 0.00 -0.24 1.57 5.02 -1.26 -4.99 118.16 116.68 2hfi n LYS 96 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 2hfi n LYS 96 Cb 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 35.03 35.17 2hfi n LYS 96 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2hfi h LYS 97 N 0.00 0.35 0.00 1.97 1.79 -2.00 -1.77 116.57 116.90 2hfi h LYS 97 Ca 0.00 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.41 2hfi h LYS 97 Cb 0.00 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 30.57 2hfi h LYS 97 CO 0.00 0.23 -0.17 -0.09 -1.08 0.00 0.00 179.45 178.35 2hfi h ARG 98 N 0.36 0.00 -0.23 3.15 2.43 -1.98 0.25 114.38 118.35 2hfi h ARG 98 Ca 0.38 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.46 2hfi h ARG 98 Cb 0.58 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2hfi h ARG 98 CO -0.41 0.17 -0.21 0.35 -1.51 0.00 0.00 179.97 178.35 2hfi h PHE 99 N 0.00 0.66 -0.28 2.20 3.57 -1.71 -1.25 116.94 120.14 2hfi h PHE 99 Ca -0.00 -0.19 -0.19 0.00 3.53 0.00 0.00 57.97 61.12 2hfi h PHE 99 Cb 0.36 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.96 2hfi h PHE 99 CO 0.00 0.88 -0.57 -0.22 -2.23 0.00 0.00 178.31 176.17 2hfi h LYS 100 N 0.25 0.87 0.12 1.11 3.64 -1.39 -2.23 116.57 118.94 2hfi h LYS 100 Ca 0.04 -0.56 -0.01 0.00 -1.27 0.00 0.00 60.65 58.85 2hfi h LYS 100 Cb 0.76 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 2hfi h LYS 100 CO 0.05 1.20 -0.06 0.22 -2.27 0.00 0.00 179.45 178.59 2hfi h ASP 101 N 0.66 -0.14 -0.34 4.20 3.58 -0.96 -0.49 116.42 122.93 2hfi h ASP 101 Ca 0.01 -0.11 0.02 0.00 0.42 0.00 0.00 57.03 57.37 2hfi h ASP 101 Cb 1.18 0.04 -0.03 0.00 1.72 0.00 0.00 39.33 42.24 2hfi h ASP 101 CO 0.13 0.03 0.17 0.40 -2.88 0.00 0.00 179.24 177.08 2hfi h ILE 102 N -0.30 0.98 -0.46 2.25 2.04 -1.26 0.98 117.51 121.74 2hfi h ILE 102 Ca -0.02 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.76 2hfi h ILE 102 Cb 0.24 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 2hfi h ILE 102 CO 0.03 0.06 0.23 0.74 0.00 0.00 0.00 178.15 179.21 2hfi h THR 103 N 0.35 0.97 0.13 -0.27 2.02 -1.31 -0.84 112.91 113.96 2hfi h THR 103 Ca 0.14 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 2hfi h THR 103 Cb 0.06 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 2hfi h THR 103 CO -0.10 0.09 -0.06 -0.08 0.37 0.00 0.00 175.52 175.73 2hfi h GLU 104 N 0.47 -0.16 -0.96 6.66 4.81 -0.62 -0.29 114.58 124.48 2hfi h GLU 104 Ca 0.20 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.47 2hfi h GLU 104 Cb 0.10 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.46 2hfi h GLU 104 CO -0.14 0.01 0.63 1.03 -0.73 0.00 0.00 179.01 179.81 2hfi h SER 105 N -0.31 1.06 0.23 1.04 0.87 -0.59 0.40 113.55 116.25 2hfi h SER 105 Ca -0.02 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 2hfi h SER 105 Cb 0.25 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2hfi h SER 105 CO 0.03 0.73 -0.11 0.58 -0.53 0.00 0.00 176.83 177.53 2hfi h VAL 106 N 1.23 0.81 -0.80 2.23 2.07 -1.02 -2.47 116.25 118.29 2hfi h VAL 106 Ca 0.38 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2hfi h VAL 106 Cb -0.01 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 2hfi h VAL 106 CO -0.11 0.16 0.51 -0.07 0.02 0.00 0.00 177.57 178.07 2hfi h LEU 107 N -0.74 0.94 -0.62 2.57 -0.00 -0.74 0.21 115.31 116.94 2hfi h LEU 107 Ca -0.03 -0.04 -0.00 0.00 -0.00 0.00 0.00 57.88 57.81 2hfi h LEU 107 Cb 0.50 -0.24 -0.03 0.00 -0.00 0.00 0.00 40.66 40.89 2hfi h LEU 107 CO 0.05 0.71 0.38 0.22 -0.00 0.00 0.00 178.44 179.79 2hfi h TYR 108 N 1.10 0.81 -0.51 1.13 3.20 -0.25 0.29 116.97 122.73 2hfi h TYR 108 Ca 0.29 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 62.04 2hfi h TYR 108 Cb -0.08 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 37.90 2hfi h TYR 108 CO 0.00 0.55 -0.15 1.15 -1.64 0.00 0.00 178.16 178.07 2hfi h THR 109 N 0.84 1.27 -0.53 1.81 2.02 -0.84 -1.27 112.91 116.20 2hfi h THR 109 Ca 0.22 -1.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.09 2hfi h THR 109 Cb -0.03 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 2hfi h THR 109 CO -0.04 0.45 0.28 -0.07 0.37 0.00 0.00 175.52 176.51 2hfi h LEU 110 N 0.87 0.67 -1.01 2.58 3.38 -0.00 0.10 115.31 121.89 2hfi h LEU 110 Ca 0.13 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2hfi h LEU 110 Cb 0.71 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 2hfi h LEU 110 CO 0.05 0.58 0.35 0.45 0.09 0.00 0.00 178.44 179.96 2hfi h HIS 111 N 0.71 1.05 -0.41 1.13 3.86 -0.34 0.03 115.15 121.18 2hfi h HIS 111 Ca 0.19 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.33 2hfi h HIS 111 Cb 0.07 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.19 2hfi h HIS 111 CO -0.01 0.76 0.16 0.00 0.86 0.00 0.00 177.93 179.70 2hfi h ALA 112 N 1.34 0.53 -0.06 2.45 0.00 -0.50 -2.77 119.26 120.26 2hfi h ALA 112 Ca 0.25 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 2hfi h ALA 112 Cb 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2hfi h ALA 112 CO -0.03 0.13 -0.65 0.28 0.00 0.00 0.00 179.25 178.98 2hfi h VAL 113 N 0.51 1.40 -0.48 0.00 2.07 -0.50 -2.84 116.25 116.42 2hfi h VAL 113 Ca 0.14 -2.09 0.07 0.00 0.82 0.00 0.00 66.70 65.63 2hfi h VAL 113 Cb 0.19 2.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.98 2hfi h VAL 113 CO -0.01 0.62 0.17 0.50 0.02 0.00 0.00 177.57 178.86 2hfi h LYS 114 N 0.17 0.33 -0.30 1.57 3.64 -0.81 -0.54 116.57 120.63 2hfi h LYS 114 Ca -0.01 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 2hfi h LYS 114 Cb 1.17 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 2hfi h LYS 114 CO 0.10 0.22 0.06 0.22 -2.27 0.00 0.00 179.45 177.78 2hfi h ASP 115 N 0.34 0.47 -0.32 4.20 3.58 -1.35 -1.65 116.42 121.69 2hfi h ASP 115 Ca 0.23 -0.24 0.04 0.00 0.42 0.00 0.00 57.03 57.48 2hfi h ASP 115 Cb 0.24 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.13 2hfi h ASP 115 CO -0.24 0.59 0.08 -0.33 -2.88 0.00 0.00 179.24 176.47 2hfi h GLU 116 N 0.33 0.20 -0.40 0.28 4.39 -1.22 0.36 114.58 118.52 2hfi h GLU 116 Ca 0.09 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 2hfi h GLU 116 Cb 0.31 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 2hfi h GLU 116 CO 0.00 0.13 0.22 0.82 -1.16 0.00 0.00 179.01 179.03 2hfi h ILE 117 N 0.21 1.15 0.00 3.13 2.04 -1.02 -0.78 117.51 122.22 2hfi h ILE 117 Ca 0.15 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2hfi h ILE 117 Cb 0.14 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2hfi h ILE 117 CO -0.18 0.15 0.00 0.00 0.00 0.00 0.00 178.15 178.12 2hfi h ALA 118 N 1.08 1.00 0.00 1.87 0.00 -0.85 -2.52 119.26 119.83 2hfi h ALA 118 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2hfi h ALA 118 Cb 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2hfi h ALA 118 CO -0.02 0.00 -0.83 -0.09 0.00 0.00 0.00 179.25 178.31 2hfi h ARG 119 N 0.00 0.00 0.43 0.00 9.65 0.61 -3.33 114.38 121.75 2hfi h ARG 119 Ca 0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 2hfi h ARG 119 Cb 0.51 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 2hfi h ARG 119 CO 0.00 0.00 -0.21 1.49 2.80 0.00 0.00 179.97 184.05 2hfi h GLU 120 N 0.00 -0.55 -3.15 0.20 4.57 -0.72 -3.47 114.58 111.46 2hfi h GLU 120 Ca -0.00 0.04 -0.36 0.00 -1.18 0.00 0.00 59.36 57.86 2hfi h GLU 120 Cb 1.00 0.13 0.01 0.00 -0.16 0.00 0.00 28.75 29.73 2hfi h GLU 120 CO 0.00 -0.29 -0.49 -3.47 -1.18 0.00 0.00 179.01 173.58 2hfi n ASP 121 N -5.27 -5.40 -4.17 1.04 -0.08 -1.23 -4.98 116.55 96.46 2hfi n ASP 121 Ca -0.11 -0.11 -0.11 0.00 -1.51 0.00 0.00 54.79 52.94 2hfi n ASP 121 Cb 0.28 -4.37 -0.09 0.00 2.34 0.00 0.00 41.12 39.27 2hfi n ASP 121 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2hfi s SER 122 N -2.41 0.14 0.00 1.67 0.01 -1.26 -5.12 113.70 106.73 2hfi s SER 122 Ca 0.11 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 56.06 2hfi s SER 122 Cb -0.05 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.58 2hfi s SER 122 CO 0.14 -0.86 0.00 0.54 0.41 0.00 0.00 173.24 173.46