#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 3.98 0.06 3.17 2.96 -1.26 -5.01 118.68 122.58 2hfi s LEU 2 Ca 0.00 1.40 0.03 0.00 -0.22 0.00 0.00 54.13 55.34 2hfi s LEU 2 Cb 0.00 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 2hfi s LEU 2 CO 0.00 -0.99 0.03 -0.94 -1.32 0.00 0.00 176.35 173.14 2hfi s SER 3 N 2.62 5.26 -0.43 3.68 1.04 -1.26 -4.79 113.70 119.81 2hfi s SER 3 Ca 0.57 -0.06 -0.20 0.00 0.48 0.00 0.00 55.95 56.74 2hfi s SER 3 Cb -0.19 -1.35 0.03 0.00 0.10 0.00 0.00 66.02 64.60 2hfi s SER 3 CO 0.21 0.21 0.61 0.00 0.98 0.00 0.00 173.24 175.24 2hfi n GLN 4 N 0.77 -2.32 -0.06 4.02 3.00 -1.26 -4.95 117.38 116.57 2hfi n GLN 4 Ca -0.11 2.02 -0.14 0.00 -0.01 0.00 0.00 57.00 58.76 2hfi n GLN 4 Cb 0.52 -5.12 -0.06 0.00 0.00 0.00 0.00 30.24 25.57 2hfi n GLN 4 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.06 178.85 2hfi h THR 5 N 2.02 1.34 0.00 5.09 1.35 -2.03 -3.40 112.91 117.28 2hfi h THR 5 Ca -0.09 -1.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.27 2hfi h THR 5 Cb 1.06 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 2hfi h THR 5 CO 0.20 0.46 -0.22 -0.11 -0.25 0.00 0.00 175.52 175.60 2hfi n LEU 6 N -4.37 0.00 0.15 3.87 7.94 -1.26 -4.81 117.00 118.52 2hfi n LEU 6 Ca -0.06 -0.10 -0.13 0.00 -1.11 0.00 0.00 56.01 54.61 2hfi n LEU 6 Cb 0.46 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.35 2hfi n LEU 6 CO 0.43 0.00 0.73 0.25 -1.11 0.00 0.00 177.39 177.69 2hfi h LEU 7 N 0.00 -0.52 -0.97 -1.96 5.85 -1.97 -1.29 115.31 114.45 2hfi h LEU 7 Ca 0.00 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 2hfi h LEU 7 Cb 0.00 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 2hfi h LEU 7 CO 0.00 -0.29 -0.00 -0.08 -0.34 0.00 0.00 178.44 177.72 2hfi h GLU 8 N -0.43 0.75 -0.66 1.25 4.81 -1.89 -0.10 114.58 118.30 2hfi h GLU 8 Ca -0.00 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 59.05 2hfi h GLU 8 Cb 0.40 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 2hfi h GLU 8 CO -0.05 0.76 0.43 0.52 -0.73 0.00 0.00 179.01 179.94 2hfi h MET 9 N 0.70 0.84 -0.14 1.92 2.86 -1.79 0.26 114.93 119.58 2hfi h MET 9 Ca 0.14 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 2hfi h MET 9 Cb 0.43 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 2hfi h MET 9 CO 0.02 0.56 -0.04 1.15 1.06 0.00 0.00 176.91 179.66 2hfi h THR 10 N 0.87 1.29 -0.49 2.22 2.02 -0.73 -1.59 112.91 116.49 2hfi h THR 10 Ca 0.25 -1.00 0.06 0.00 0.77 0.00 0.00 66.41 66.49 2hfi h THR 10 Cb -0.06 1.67 -0.05 0.00 -1.74 0.00 0.00 68.15 67.97 2hfi h THR 10 CO -0.07 0.29 0.21 -0.33 0.37 0.00 0.00 175.52 175.99 2hfi h GLU 11 N -0.04 0.40 -0.66 6.66 4.39 -0.72 0.01 114.58 124.62 2hfi h GLU 11 Ca 0.03 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.66 2hfi h GLU 11 Cb 0.47 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 2hfi h GLU 11 CO 0.01 0.27 0.23 0.37 -1.16 0.00 0.00 179.01 178.73 2hfi h GLN 12 N 0.42 1.02 -0.82 2.33 4.15 -0.46 -0.89 115.11 120.85 2hfi h GLN 12 Ca 0.23 -0.21 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 2hfi h GLN 12 Cb 0.19 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.69 2hfi h GLN 12 CO -0.20 0.87 0.41 1.98 -1.93 0.00 0.00 178.83 179.96 2hfi h MET 13 N 0.95 1.18 0.08 1.69 4.05 -0.65 0.53 114.93 122.76 2hfi h MET 13 Ca 0.22 -0.16 -0.00 0.00 -0.28 0.00 0.00 59.70 59.47 2hfi h MET 13 Cb 0.26 -0.22 -0.00 0.00 -0.80 0.00 0.00 31.60 30.85 2hfi h MET 13 CO -0.01 0.89 -0.05 0.82 0.23 0.00 0.00 176.91 178.79 2hfi h ILE 14 N 1.17 0.89 -0.36 1.77 2.04 -0.55 -1.52 117.51 120.96 2hfi h ILE 14 Ca 0.28 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.16 2hfi h ILE 14 Cb 0.10 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 2hfi h ILE 14 CO -0.04 0.00 0.20 -0.08 0.00 0.00 0.00 178.15 178.24 2hfi h GLU 15 N -0.13 0.41 -0.68 2.37 4.81 -0.69 0.32 114.58 120.99 2hfi h GLU 15 Ca -0.01 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2hfi h GLU 15 Cb 0.11 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 2hfi h GLU 15 CO 0.01 0.27 0.43 0.28 -0.73 0.00 0.00 179.01 179.27 2hfi h VAL 16 N 0.42 1.11 -0.25 0.32 2.07 -0.82 0.34 116.25 119.44 2hfi h VAL 16 Ca 0.14 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2hfi h VAL 16 Cb 0.01 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 2hfi h VAL 16 CO -0.07 0.16 0.08 0.00 0.02 0.00 0.00 177.57 177.75 2hfi h ALA 17 N 1.28 0.33 -0.60 1.67 0.00 -0.77 0.23 119.26 121.39 2hfi h ALA 17 Ca 0.27 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2hfi h ALA 17 Cb -0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2hfi h ALA 17 CO -0.09 -0.05 0.22 0.93 0.00 0.00 0.00 179.25 180.26 2hfi h GLU 18 N 0.24 0.90 -0.14 0.00 5.08 -0.57 0.48 114.58 120.57 2hfi h GLU 18 Ca 0.08 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.15 2hfi h GLU 18 Cb 0.24 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2hfi h GLU 18 CO -0.00 0.79 -0.39 0.87 -1.00 0.00 0.00 179.01 179.27 2hfi h LYS 19 N 0.83 0.32 -0.52 2.33 1.57 -0.20 0.30 116.57 121.20 2hfi h LYS 19 Ca 0.20 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 2hfi h LYS 19 Cb 0.23 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 2hfi h LYS 19 CO -0.01 0.66 -0.11 0.78 -0.57 0.00 0.00 179.45 180.20 2hfi h GLY 20 N 1.17 1.08 1.02 3.86 0.00 -0.13 0.57 103.07 110.64 2hfi h GLY 20 Ca 0.03 -0.88 -0.07 0.00 0.00 0.00 0.00 47.33 46.41 2hfi h GLY 20 CO 0.06 0.81 0.08 0.00 0.00 0.00 0.00 176.54 177.50 2hfi h ALA 21 N 0.91 0.75 -0.68 3.60 0.00 -0.63 -0.28 119.26 122.93 2hfi h ALA 21 Ca 0.13 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2hfi h ALA 21 Cb 0.68 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2hfi h ALA 21 CO 0.05 0.50 0.30 0.22 0.00 0.00 0.00 179.25 180.32 2hfi h ASP 22 N 0.83 0.90 0.16 0.00 3.58 -0.79 0.17 116.42 121.28 2hfi h ASP 22 Ca 0.17 -0.11 -0.14 0.00 0.42 0.00 0.00 57.03 57.37 2hfi h ASP 22 Cb 0.42 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 2hfi h ASP 22 CO 0.01 0.79 -0.50 -0.09 -2.88 0.00 0.00 179.24 176.57 2hfi h ARG 23 N 0.98 0.39 -0.16 0.28 2.43 -0.54 0.36 114.38 118.11 2hfi h ARG 23 Ca 0.23 -0.22 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 2hfi h ARG 23 Cb 0.15 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2hfi h ARG 23 CO -0.02 0.80 -0.55 -0.92 -1.51 0.00 0.00 179.97 177.77 2hfi h TYR 24 N 0.31 0.60 -0.51 2.20 3.20 -0.62 -0.74 116.97 121.41 2hfi h TYR 24 Ca 0.01 -0.21 -0.03 0.00 3.14 0.00 0.00 58.73 61.64 2hfi h TYR 24 Cb 0.99 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 2hfi h TYR 24 CO 0.03 0.92 0.20 0.37 -1.64 0.00 0.00 178.16 178.04 2hfi h GLN 25 N 0.37 0.77 -0.23 1.82 4.15 -0.24 -2.53 115.11 119.22 2hfi h GLN 25 Ca 0.01 -0.14 -0.10 0.00 0.77 0.00 0.00 58.65 59.18 2hfi h GLN 25 Cb 1.08 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.63 2hfi h GLN 25 CO 0.10 0.68 -0.30 0.93 -1.93 0.00 0.00 178.83 178.31 2hfi h GLU 26 N 0.69 0.47 0.00 1.69 4.39 -0.86 -3.47 114.58 117.49 2hfi h GLU 26 Ca 0.17 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2hfi h GLU 26 Cb 0.20 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2hfi h GLU 26 CO -0.01 0.72 0.00 0.41 -1.16 0.00 0.00 179.01 178.97 2hfi n GLY 27 N -0.28 1.58 4.01 -3.84 0.00 -0.29 -4.85 105.19 101.52 2hfi n GLY 27 Ca -0.01 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 2hfi n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hfi s LYS 28 N 0.00 2.20 0.00 1.61 3.01 -1.26 -4.89 119.74 120.41 2hfi s LYS 28 Ca 0.00 -1.29 0.00 0.00 -1.01 0.00 0.00 55.97 53.67 2hfi s LYS 28 Cb 0.00 -2.53 0.00 0.00 -1.01 0.00 0.00 37.83 34.29 2hfi s LYS 28 CO 0.00 -0.96 0.00 -1.71 0.51 0.00 0.00 175.35 173.19 2hfi n ASN 29 N -2.40 0.00 0.23 2.83 2.85 -1.26 -4.93 115.26 112.57 2hfi n ASN 29 Ca 0.13 -0.83 0.07 0.00 -0.11 0.00 0.00 54.58 53.84 2hfi n ASN 29 Cb 0.61 0.00 0.54 0.00 1.24 0.00 0.00 39.78 42.17 2hfi n ASN 29 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2hfi h SER 30 N 0.00 0.00 -2.02 1.20 0.02 -2.01 -3.37 113.55 107.37 2hfi h SER 30 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 2hfi h SER 30 Cb 0.00 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.46 2hfi h SER 30 CO 0.00 0.20 1.17 0.21 -1.14 0.00 0.00 176.83 177.28 2hfi s ASN 31 N -6.70 6.19 -0.21 3.07 3.04 -1.26 -4.75 114.94 114.31 2hfi s ASN 31 Ca -0.03 -0.66 0.05 0.00 0.04 0.00 0.00 52.86 52.26 2hfi s ASN 31 Cb 0.14 -2.56 -0.16 0.00 -1.54 0.00 0.00 41.25 37.13 2hfi s ASN 31 CO 0.67 -1.80 -0.14 1.57 -3.04 0.00 0.00 177.10 174.36 2hfi n HIS 32 N 9.48 0.00 -3.70 0.43 -0.00 -1.26 -4.90 115.22 115.27 2hfi n HIS 32 Ca 0.11 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.46 2hfi n HIS 32 Cb 0.50 -0.87 -0.12 0.00 -0.00 0.00 0.00 29.99 29.49 2hfi n HIS 32 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2hfi s SER 33 N -5.96 5.37 -0.08 0.26 0.01 -1.26 -5.04 113.70 107.00 2hfi s SER 33 Ca -0.25 -0.35 -0.32 0.00 1.31 0.00 0.00 55.95 56.33 2hfi s SER 33 Cb 0.07 -1.97 0.12 0.00 0.21 0.00 0.00 66.02 64.45 2hfi s SER 33 CO 0.57 -0.11 1.13 -0.72 0.41 0.00 0.00 173.24 174.52 2hfi s TYR 34 N 1.62 -0.16 -0.37 2.43 1.13 -1.26 -4.99 117.35 115.74 2hfi s TYR 34 Ca 0.05 0.05 0.07 0.00 -1.41 0.00 0.00 57.07 55.84 2hfi s TYR 34 Cb -0.16 0.54 0.18 0.00 -1.10 0.00 0.00 41.96 41.42 2hfi s TYR 34 CO 0.05 -0.35 0.58 0.34 -2.51 0.00 0.00 175.55 173.66 2hfi s ASP 35 N -2.48 -1.19 0.00 -0.18 2.15 -1.26 -5.05 116.67 108.66 2hfi s ASP 35 Ca 0.10 -0.61 0.00 0.00 0.43 0.00 0.00 52.55 52.46 2hfi s ASP 35 Cb 0.00 1.80 0.00 0.00 -0.30 0.00 0.00 42.92 44.42 2hfi s ASP 35 CO -0.05 -0.22 0.00 0.33 -0.17 0.00 0.00 175.17 175.06 2hfi n PHE 36 N 4.69 0.00 0.88 -5.34 7.35 -1.26 -4.13 117.46 119.64 2hfi n PHE 36 Ca 0.09 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.77 2hfi n PHE 36 Cb 0.55 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.38 2hfi n PHE 36 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2hfi n PHE 37 N 0.00 0.08 0.02 -5.13 7.35 -1.26 -1.09 117.46 117.43 2hfi n PHE 37 Ca 0.00 -0.56 -0.01 0.00 -0.76 0.00 0.00 57.45 56.12 2hfi n PHE 37 Cb 0.00 -0.28 -0.00 0.00 0.35 0.00 0.00 39.48 39.55 2hfi n PHE 37 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2hfi n GLU 38 N 0.50 0.07 0.00 -4.13 -0.58 -1.26 -4.82 120.64 110.42 2hfi n GLU 38 Ca 0.02 0.03 -0.17 0.00 -0.42 0.00 0.00 57.16 56.61 2hfi n GLU 38 Cb 0.53 -0.55 -0.11 0.00 -0.57 0.00 0.00 31.44 30.75 2hfi n GLU 38 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 2hfi h THR 39 N -0.13 1.40 -2.43 2.62 2.02 -1.90 -3.39 112.91 111.10 2hfi h THR 39 Ca 0.00 -2.05 -0.74 0.00 0.77 0.00 0.00 66.41 64.39 2hfi h THR 39 Cb 0.13 2.51 -0.19 0.00 -1.74 0.00 0.00 68.15 68.86 2hfi h THR 39 CO 0.00 0.60 1.13 -0.63 0.37 0.00 0.00 175.52 177.00 2hfi s ILE 40 N -3.30 5.14 0.41 3.11 1.09 -0.25 -4.31 121.20 123.09 2hfi s ILE 40 Ca -0.13 -2.60 0.00 0.00 -1.10 0.00 0.00 60.65 56.82 2hfi s ILE 40 Cb 0.04 -4.84 0.00 0.00 -1.06 0.00 0.00 42.46 36.60 2hfi s ILE 40 CO 0.83 -1.53 0.00 1.17 -0.10 0.00 0.00 174.94 175.31 2hfi n LYS 41 N 5.32 0.00 -0.02 2.79 4.81 -1.26 -4.32 118.16 125.48 2hfi n LYS 41 Ca 0.33 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.65 2hfi n LYS 41 Cb 0.43 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.39 2hfi n LYS 41 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 2hfi h PRO 42 N 0.00 -0.07 -0.95 1.64 0.11 -1.82 -3.19 132.00 127.73 2hfi h PRO 42 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 2hfi h PRO 42 Cb 0.00 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.08 2hfi h PRO 42 CO 0.00 0.56 0.57 0.00 -0.21 0.00 0.00 178.00 178.92 2hfi h ALA 43 N -0.07 1.22 -0.41 -0.75 0.00 -1.95 -1.48 119.26 115.81 2hfi h ALA 43 Ca -0.01 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2hfi h ALA 43 Cb 0.66 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2hfi h ALA 43 CO 0.01 0.67 0.17 0.28 0.00 0.00 0.00 179.25 180.38 2hfi h VAL 44 N 1.31 0.92 -0.13 0.00 2.07 -1.86 0.23 116.25 118.79 2hfi h VAL 44 Ca 0.34 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 67.65 2hfi h VAL 44 Cb -0.06 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2hfi h VAL 44 CO -0.06 0.07 -0.25 -0.33 0.02 0.00 0.00 177.57 177.02 2hfi h GLU 45 N 0.36 0.40 0.21 1.57 5.08 -1.47 -2.27 114.58 118.45 2hfi h GLU 45 Ca 0.18 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2hfi h GLU 45 Cb 0.14 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2hfi h GLU 45 CO -0.16 0.85 -0.10 0.93 -1.00 0.00 0.00 179.01 179.53 2hfi h GLU 46 N -0.01 -0.28 0.00 2.33 5.08 -1.04 -2.67 114.58 117.99 2hfi h GLU 46 Ca 0.01 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2hfi h GLU 46 Cb 0.83 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2hfi h GLU 46 CO 0.06 -0.12 -0.20 -0.91 -1.00 0.00 0.00 179.01 176.84 2hfi h ASN 47 N -0.37 0.00 0.41 1.42 4.21 -0.62 0.33 115.58 120.96 2hfi h ASN 47 Ca -0.03 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.46 2hfi h ASN 47 Cb 0.28 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.49 2hfi h ASN 47 CO 0.05 0.20 -0.20 -0.78 -1.29 0.00 0.00 177.43 175.41 2hfi h ASP 48 N 0.00 -0.46 -0.00 5.81 3.58 -1.21 0.13 116.42 124.27 2hfi h ASP 48 Ca -0.00 0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.34 2hfi h ASP 48 Cb 0.39 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 2hfi h ASP 48 CO 0.03 -0.32 -0.34 -0.33 -2.88 0.00 0.00 179.24 175.40 2hfi h GLU 49 N -0.56 0.48 0.21 0.28 5.08 -1.10 -0.32 114.58 118.65 2hfi h GLU 49 Ca -0.06 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2hfi h GLU 49 Cb 0.42 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2hfi h GLU 49 CO 0.09 0.76 -0.17 1.25 -1.00 0.00 0.00 179.01 179.94 2hfi h LEU 50 N 0.41 -0.44 -0.97 1.33 5.85 -0.18 0.20 115.31 121.51 2hfi h LEU 50 Ca 0.05 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 2hfi h LEU 50 Cb 0.79 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 2hfi h LEU 50 CO 0.06 -0.26 -0.36 0.00 -0.34 0.00 0.00 178.44 177.55 2hfi h ALA 51 N 0.36 1.13 -0.02 1.25 0.00 -0.66 0.13 119.26 121.45 2hfi h ALA 51 Ca -0.01 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2hfi h ALA 51 Cb 0.35 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2hfi h ALA 51 CO -0.01 0.56 0.01 0.00 0.00 0.00 0.00 179.25 179.81 2hfi h ALA 52 N 1.37 0.03 -0.50 0.00 0.00 -0.64 0.21 119.26 119.74 2hfi h ALA 52 Ca 0.03 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2hfi h ALA 52 Cb 0.75 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2hfi h ALA 52 CO 0.06 -0.39 -0.07 -0.09 0.00 0.00 0.00 179.25 178.76 2hfi h ARG 53 N -0.12 0.89 -0.49 0.00 1.12 -0.50 -1.80 114.38 113.47 2hfi h ARG 53 Ca 0.01 -0.29 -0.03 0.00 -1.11 0.00 0.00 59.98 58.56 2hfi h ARG 53 Cb 0.15 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.02 2hfi h ARG 53 CO -0.00 0.93 0.20 2.35 -3.11 0.00 0.00 179.97 180.34 2hfi h TRP 54 N 0.80 0.75 -0.13 2.20 7.01 -0.81 -0.17 115.95 125.60 2hfi h TRP 54 Ca 0.14 -0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.09 2hfi h TRP 54 Cb 0.58 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.41 2hfi h TRP 54 CO 0.03 0.62 0.08 0.00 -2.79 0.00 0.00 178.44 176.39 2hfi h ALA 55 N 1.05 0.16 -0.71 2.65 0.00 -0.35 0.38 119.26 122.44 2hfi h ALA 55 Ca 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2hfi h ALA 55 Cb 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2hfi h ALA 55 CO -0.01 -0.35 0.41 0.93 0.00 0.00 0.00 179.25 180.22 2hfi h GLU 56 N 0.17 0.98 -0.36 0.00 4.39 -1.17 0.18 114.58 118.77 2hfi h GLU 56 Ca 0.05 -0.10 -0.10 0.00 0.34 0.00 0.00 59.36 59.55 2hfi h GLU 56 Cb -0.01 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.43 2hfi h GLU 56 CO -0.02 0.72 -0.15 0.78 -1.16 0.00 0.00 179.01 179.18 2hfi h GLY 57 N 0.98 0.81 1.41 -3.84 0.00 -0.75 -2.33 103.07 99.34 2hfi h GLY 57 Ca 0.25 -0.71 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 2hfi h GLY 57 CO -0.04 0.65 0.01 0.00 0.00 0.00 0.00 176.54 177.15 2hfi h ALA 58 N 0.80 1.18 -0.38 3.60 0.00 0.07 0.31 119.26 124.84 2hfi h ALA 58 Ca 0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2hfi h ALA 58 Cb 0.69 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2hfi h ALA 58 CO 0.05 0.54 0.15 -0.07 0.00 0.00 0.00 179.25 179.91 2hfi h LEU 59 N 0.69 0.47 -0.20 0.00 3.38 -0.54 0.21 115.31 119.32 2hfi h LEU 59 Ca 0.14 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 2hfi h LEU 59 Cb 0.41 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2hfi h LEU 59 CO 0.02 0.44 -0.35 -0.08 0.09 0.00 0.00 178.44 178.55 2hfi h GLU 60 N 0.53 0.59 -0.23 1.13 4.57 -0.75 -2.41 114.58 118.01 2hfi h GLU 60 Ca 0.13 -0.37 -0.01 0.00 -1.18 0.00 0.00 59.36 57.94 2hfi h GLU 60 Cb 0.11 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 2hfi h GLU 60 CO -0.01 0.98 0.11 -0.07 -1.18 0.00 0.00 179.01 178.84 2hfi h LEU 61 N 0.27 0.31 -0.16 1.64 -0.00 -0.27 -2.05 115.31 115.04 2hfi h LEU 61 Ca 0.01 -0.12 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 2hfi h LEU 61 Cb 0.94 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.52 2hfi h LEU 61 CO 0.08 0.34 0.00 2.30 -0.00 0.00 0.00 178.44 181.16 2hfi n ILE 62 N -4.84 0.65 0.08 1.22 -5.35 0.67 -0.11 119.36 111.69 2hfi n ILE 62 Ca -0.03 0.10 -0.12 0.00 -0.27 0.00 0.00 62.75 62.43 2hfi n ILE 62 Cb 0.10 -0.85 -0.06 0.00 -1.74 0.00 0.00 39.64 37.09 2hfi n ILE 62 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2hfi h LYS 63 N 0.00 0.26 0.01 6.28 3.11 -0.86 -0.94 116.57 124.43 2hfi h LYS 63 Ca 0.00 -0.33 -0.22 0.00 -2.81 0.00 0.00 60.65 57.29 2hfi h LYS 63 Cb 0.41 0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.72 2hfi h LYS 63 CO 0.00 1.07 -1.19 0.28 -2.81 0.00 0.00 179.45 176.80 2hfi h VAL 64 N 0.13 0.98 0.06 2.00 2.07 -0.74 -3.39 116.25 117.35 2hfi h VAL 64 Ca -0.08 -2.21 -0.25 0.00 0.82 0.00 0.00 66.70 64.99 2hfi h VAL 64 Cb 1.67 2.35 -0.02 0.00 -1.52 0.00 0.00 31.29 33.77 2hfi h VAL 64 CO 0.16 0.38 -1.19 0.03 0.02 0.00 0.00 177.57 176.97 2hfi h ARG 65 N -0.93 0.12 -1.69 1.57 2.47 -0.67 -3.51 114.38 111.75 2hfi h ARG 65 Ca -0.32 -0.20 0.00 0.00 -1.26 0.00 0.00 59.98 58.20 2hfi h ARG 65 Cb 1.33 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.72 2hfi h ARG 65 CO -0.17 1.05 -0.41 0.54 0.56 0.00 0.00 179.97 181.54 2hfi n ARG 66 N -3.40 -2.09 -1.60 0.04 3.00 -0.36 -4.80 116.66 107.45 2hfi n ARG 66 Ca -0.06 1.55 -0.39 0.00 -0.01 0.00 0.00 57.85 58.94 2hfi n ARG 66 Cb 0.99 -1.73 -0.03 0.00 0.00 0.00 0.00 32.46 31.68 2hfi n ARG 66 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 2hfi s PRO 67 N -4.62 2.52 -0.20 5.56 0.02 -1.25 -4.78 135.00 132.24 2hfi s PRO 67 Ca 0.00 1.62 -0.13 0.00 0.02 0.00 0.00 61.00 62.51 2hfi s PRO 67 Cb 0.00 -4.49 -0.08 0.00 0.02 0.00 0.00 34.50 29.94 2hfi s PRO 67 CO 0.00 -2.81 -0.30 1.63 -0.33 0.00 0.00 177.00 175.19 2hfi n LYS 68 N 8.91 0.48 -0.07 5.54 5.02 -1.26 -4.80 118.16 131.98 2hfi n LYS 68 Ca 0.33 0.20 -0.08 0.00 -2.02 0.00 0.00 58.31 56.75 2hfi n LYS 68 Cb 0.51 -1.32 -0.04 0.00 -0.02 0.00 0.00 35.03 34.15 2hfi n LYS 68 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2hfi h TYR 69 N -0.85 0.00 -3.84 2.13 0.05 -1.86 -3.48 116.97 109.12 2hfi h TYR 69 Ca -0.37 0.00 -0.49 0.00 0.05 0.00 0.00 58.73 57.92 2hfi h TYR 69 Cb 1.26 0.00 0.05 0.00 1.01 0.00 0.00 36.73 39.05 2hfi h TYR 69 CO -0.19 0.40 0.22 0.54 -1.05 0.00 0.00 178.16 178.08 2hfi s VAL 70 N -2.07 4.57 -0.04 -2.88 0.11 -1.26 -5.03 120.40 113.79 2hfi s VAL 70 Ca -0.14 0.36 0.01 0.00 -2.93 0.00 0.00 61.98 59.29 2hfi s VAL 70 Cb 0.02 -3.78 -0.03 0.00 -1.53 0.00 0.00 36.38 31.06 2hfi s VAL 70 CO 0.28 -0.85 -0.06 -2.28 -3.33 0.00 0.00 175.10 168.87 2hfi s HIS 71 N -2.93 2.96 0.21 1.54 2.46 -1.26 -4.60 115.29 113.66 2hfi s HIS 71 Ca 0.51 0.03 -0.09 0.00 0.47 0.00 0.00 55.06 55.97 2hfi s HIS 71 Cb -0.11 -1.68 0.24 0.00 -0.13 0.00 0.00 32.58 30.90 2hfi s HIS 71 CO 0.48 0.37 1.80 -0.22 -2.47 0.00 0.00 174.74 174.69 2hfi h LYS 72 N 4.94 0.61 -0.32 2.88 3.64 -1.98 0.17 116.57 126.51 2hfi h LYS 72 Ca -0.49 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 58.95 2hfi h LYS 72 Cb 1.17 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 2hfi h LYS 72 CO 0.53 0.40 0.29 0.93 -2.27 0.00 0.00 179.45 179.34 2hfi h GLU 73 N 0.63 0.00 -0.14 1.90 5.08 -2.00 -2.22 114.58 117.83 2hfi h GLU 73 Ca 0.30 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.57 2hfi h GLU 73 Cb 0.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 2hfi h GLU 73 CO -0.20 0.00 -0.25 1.96 -1.00 0.00 0.00 179.01 179.52 2hfi h GLN 74 N 0.00 0.42 -0.55 2.33 1.08 -1.07 -1.56 115.11 115.76 2hfi h GLN 74 Ca 0.15 -0.26 0.07 0.00 -1.45 0.00 0.00 58.65 57.16 2hfi h GLN 74 Cb 0.73 0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 28.13 2hfi h GLN 74 CO -0.00 0.85 0.24 0.82 -0.95 0.00 0.00 178.83 179.79 2hfi h ILE 75 N 0.03 0.86 0.00 2.54 5.03 -1.33 0.39 117.51 125.04 2hfi h ILE 75 Ca 0.01 -0.15 -0.11 0.00 -0.12 0.00 0.00 64.86 64.49 2hfi h ILE 75 Cb 0.83 0.38 -0.02 0.00 -3.03 0.00 0.00 36.82 34.98 2hfi h ILE 75 CO 0.06 0.08 -0.52 -0.33 -0.68 0.00 0.00 178.15 176.75 2hfi h GLU 76 N 0.45 0.00 0.10 2.37 5.08 -1.55 -3.02 114.58 118.01 2hfi h GLU 76 Ca 0.26 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.36 2hfi h GLU 76 Cb 0.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2hfi h GLU 76 CO -0.23 0.52 -1.18 0.00 -1.00 0.00 0.00 179.01 177.13 2hfi h ALA 77 N 1.48 0.16 -0.81 3.43 0.00 -0.27 -3.32 119.26 119.92 2hfi h ALA 77 Ca -0.01 -0.87 0.09 0.00 0.00 0.00 0.00 54.91 54.12 2hfi h ALA 77 Cb 1.03 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 2hfi h ALA 77 CO 0.07 1.00 0.47 0.28 0.00 0.00 0.00 179.25 181.07 2hfi h VAL 78 N 0.07 0.93 -0.03 0.00 2.07 -0.13 0.73 116.25 119.90 2hfi h VAL 78 Ca -0.11 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.16 2hfi h VAL 78 Cb 1.90 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 2hfi h VAL 78 CO 0.19 0.15 -0.20 0.50 0.02 0.00 0.00 177.57 178.23 2hfi h LYS 79 N 0.81 -0.29 -0.19 1.57 3.64 -1.65 0.43 116.57 120.89 2hfi h LYS 79 Ca 0.39 0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.65 2hfi h LYS 79 Cb 0.32 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2hfi h LYS 79 CO -0.23 -0.19 -0.41 0.22 -2.27 0.00 0.00 179.45 176.57 2hfi h ASP 80 N -0.30 0.68 -0.17 4.20 3.58 -1.62 -2.48 116.42 120.31 2hfi h ASP 80 Ca 0.07 -0.56 -0.05 0.00 0.42 0.00 0.00 57.03 56.91 2hfi h ASP 80 Cb 0.39 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.23 2hfi h ASP 80 CO -0.20 1.12 -0.04 0.78 -2.88 0.00 0.00 179.24 178.02 2hfi h ASN 81 N 0.28 0.43 -0.30 2.28 2.35 -0.68 -1.09 115.58 118.84 2hfi h ASN 81 Ca 0.00 -0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.56 2hfi h ASN 81 Cb 1.02 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.27 2hfi h ASN 81 CO 0.09 0.53 -0.21 0.15 -1.65 0.00 0.00 177.43 176.33 2hfi h PHE 82 N 0.44 0.79 -0.71 1.19 3.57 -0.07 0.26 116.94 122.41 2hfi h PHE 82 Ca 0.09 -0.22 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 2hfi h PHE 82 Cb 0.35 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 2hfi h PHE 82 CO 0.01 0.93 0.36 -0.07 -2.23 0.00 0.00 178.31 177.31 2hfi h LEU 83 N 0.43 0.91 -0.43 0.59 3.38 -1.10 -0.13 115.31 118.96 2hfi h LEU 83 Ca 0.06 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2hfi h LEU 83 Cb 0.76 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2hfi h LEU 83 CO 0.06 0.78 0.18 -0.08 0.09 0.00 0.00 178.44 179.46 2hfi h GLU 84 N 0.98 0.64 -0.23 1.13 4.57 -1.09 -1.87 114.58 118.71 2hfi h GLU 84 Ca 0.25 -0.11 0.04 0.00 -1.18 0.00 0.00 59.36 58.36 2hfi h GLU 84 Cb 0.09 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 2hfi h GLU 84 CO -0.03 0.58 -0.04 1.25 -1.18 0.00 0.00 179.01 179.59 2hfi h LEU 85 N 0.55 -0.18 -0.56 1.64 6.46 0.12 0.24 115.31 123.58 2hfi h LEU 85 Ca 0.14 0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.96 2hfi h LEU 85 Cb 0.18 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 2hfi h LEU 85 CO -0.01 -0.06 0.32 0.58 -0.62 0.00 0.00 178.44 178.64 2hfi h VAL 86 N 0.02 1.18 0.25 1.05 2.07 -0.97 -2.18 116.25 117.67 2hfi h VAL 86 Ca 0.11 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2hfi h VAL 86 Cb 0.16 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2hfi h VAL 86 CO -0.22 0.19 -0.12 0.25 0.02 0.00 0.00 177.57 177.69 2hfi h LEU 87 N 0.75 -0.29 -2.12 2.57 5.85 -0.70 -3.00 115.31 118.37 2hfi h LEU 87 Ca 0.20 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2hfi h LEU 87 Cb 0.03 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 2hfi h LEU 87 CO -0.03 -0.03 -0.06 0.06 -0.34 0.00 0.00 178.44 178.04 2hfi h GLN 88 N -0.55 0.00 -0.61 1.25 3.07 -0.50 -0.91 115.11 116.85 2hfi h GLN 88 Ca -0.03 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.61 2hfi h GLN 88 Cb 0.41 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.94 2hfi h GLN 88 CO 0.06 0.06 0.02 1.03 0.09 0.00 0.00 178.83 180.09 2hfi h SER 89 N 0.00 1.03 0.01 0.06 0.87 -1.25 -0.71 113.55 113.56 2hfi h SER 89 Ca -0.00 -0.28 -0.21 0.00 -1.23 0.00 0.00 61.79 60.07 2hfi h SER 89 Cb 0.14 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.80 2hfi h SER 89 CO 0.01 1.07 -1.11 1.88 -0.53 0.00 0.00 176.83 178.14 2hfi h TYR 90 N 0.97 0.04 0.00 2.24 0.05 -1.30 -3.38 116.97 115.59 2hfi h TYR 90 Ca 0.18 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.91 2hfi h TYR 90 Cb 0.53 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.27 2hfi h TYR 90 CO 0.04 1.44 -0.10 -0.39 -1.05 0.00 0.00 178.16 178.09 2hfi h VAL 91 N -0.93 0.19 -5.40 -2.88 -1.51 -1.31 -3.47 116.25 100.94 2hfi h VAL 91 Ca -0.30 -1.06 -0.35 0.00 -1.23 0.00 0.00 66.70 63.75 2hfi h VAL 91 Cb 1.31 1.91 0.13 0.00 -2.13 0.00 0.00 31.29 32.51 2hfi h VAL 91 CO -0.16 0.10 -0.63 1.41 -1.23 0.00 0.00 177.57 177.05 2hfi n HIS 92 N -3.15 -2.53 0.00 5.19 8.25 -0.27 -4.89 115.22 117.82 2hfi n HIS 92 Ca 0.02 0.92 -0.09 0.00 -0.26 0.00 0.00 57.72 58.31 2hfi n HIS 92 Cb 0.49 -4.71 0.09 0.00 1.12 0.00 0.00 29.99 26.99 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 -4.63 1.35 -4.24 4.41 1.44 -1.25 -4.86 115.22 107.44 2hfi n HIS 93 Ca -0.04 -1.03 -0.17 0.00 -2.01 0.00 0.00 57.72 54.48 2hfi n HIS 93 Cb 0.57 -0.54 -0.07 0.00 0.12 0.00 0.00 29.99 30.08 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 -0.19 0.00 -4.05 0.61 -5.35 -1.26 -5.10 119.36 104.02 2hfi n ILE 94 Ca 0.26 -2.07 -0.25 0.00 -0.27 0.00 0.00 62.75 60.41 2hfi n ILE 94 Cb 1.00 1.04 -0.05 0.00 -1.74 0.00 0.00 39.64 39.89 2hfi n ILE 94 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 2hfi s HIS 95 N -3.16 3.24 0.25 4.28 5.65 -1.26 -5.03 115.29 119.27 2hfi s HIS 95 Ca 0.34 0.01 -0.03 0.00 0.25 0.00 0.00 55.06 55.63 2hfi s HIS 95 Cb 0.02 -1.54 0.47 0.00 -1.18 0.00 0.00 32.58 30.35 2hfi s HIS 95 CO 0.24 0.52 1.78 0.87 -0.65 0.00 0.00 174.74 177.50 2hfi h LYS 96 N 2.19 0.67 -0.53 2.88 1.57 -2.01 -1.28 116.57 120.06 2hfi h LYS 96 Ca -0.48 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.25 2hfi h LYS 96 Cb 1.20 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.34 2hfi h LYS 96 CO 0.64 0.44 0.29 -0.22 -0.57 0.00 0.00 179.45 180.04 2hfi h LYS 97 N 0.69 0.73 -0.42 3.15 3.64 -2.00 -1.78 116.57 120.57 2hfi h LYS 97 Ca 0.43 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.68 2hfi h LYS 97 Cb 0.53 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2hfi h LYS 97 CO -0.31 0.54 0.00 -0.09 -2.27 0.00 0.00 179.45 177.32 2hfi h ARG 98 N 0.74 0.68 -0.37 1.90 9.65 -1.64 -2.21 114.38 123.13 2hfi h ARG 98 Ca 0.19 -0.17 -0.07 0.00 -1.10 0.00 0.00 59.98 58.83 2hfi h ARG 98 Cb 0.02 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.50 2hfi h ARG 98 CO -0.03 0.70 -0.04 0.35 2.80 0.00 0.00 179.97 183.75 2hfi h PHE 99 N 0.65 0.76 -0.28 2.20 3.57 -1.25 -2.76 116.94 119.82 2hfi h PHE 99 Ca 0.13 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2hfi h PHE 99 Cb 0.40 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 2hfi h PHE 99 CO 0.02 0.80 0.10 -0.22 -2.23 0.00 0.00 178.31 176.79 2hfi h LYS 100 N 0.50 0.43 0.21 1.11 3.11 -1.14 -0.69 116.57 120.09 2hfi h LYS 100 Ca 0.10 -0.08 0.01 0.00 -2.81 0.00 0.00 60.65 57.86 2hfi h LYS 100 Cb 0.53 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.67 2hfi h LYS 100 CO 0.03 0.47 -0.25 0.22 -2.81 0.00 0.00 179.45 177.10 2hfi h ASP 101 N 0.30 -0.69 -0.29 4.20 3.58 -1.40 0.15 116.42 122.29 2hfi h ASP 101 Ca 0.09 0.07 0.01 0.00 0.42 0.00 0.00 57.03 57.62 2hfi h ASP 101 Cb 0.21 0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 2hfi h ASP 101 CO -0.01 -0.36 0.18 0.40 -2.88 0.00 0.00 179.24 176.58 2hfi h ILE 102 N -0.51 1.05 -0.41 2.25 2.04 -1.43 0.25 117.51 120.76 2hfi h ILE 102 Ca 0.01 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2hfi h ILE 102 Cb 0.49 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 2hfi h ILE 102 CO -0.09 0.07 0.26 0.74 0.00 0.00 0.00 178.15 179.13 2hfi h THR 103 N 0.37 1.12 -0.41 -0.27 2.02 -0.87 -0.82 112.91 114.04 2hfi h THR 103 Ca 0.11 -0.25 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 2hfi h THR 103 Cb -0.02 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 2hfi h THR 103 CO -0.04 0.12 0.02 -0.08 0.37 0.00 0.00 175.52 175.91 2hfi h GLU 104 N 0.55 0.71 -0.91 6.66 4.81 -0.47 0.11 114.58 126.05 2hfi h GLU 104 Ca 0.15 -0.22 0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2hfi h GLU 104 Cb -0.03 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.23 2hfi h GLU 104 CO -0.03 0.78 0.59 1.03 -0.73 0.00 0.00 179.01 180.65 2hfi h SER 105 N 0.55 0.98 -0.05 1.04 0.87 -0.70 0.10 113.55 116.35 2hfi h SER 105 Ca 0.12 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 2hfi h SER 105 Cb 0.45 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2hfi h SER 105 CO 0.02 0.68 -0.03 0.58 -0.53 0.00 0.00 176.83 177.54 2hfi h VAL 106 N 1.15 1.36 -0.83 2.23 2.07 -0.78 -2.33 116.25 119.12 2hfi h VAL 106 Ca 0.36 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 66.79 2hfi h VAL 106 Cb -0.01 2.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 2hfi h VAL 106 CO -0.11 0.30 0.53 -0.07 0.02 0.00 0.00 177.57 178.24 2hfi h LEU 107 N -0.32 0.87 -0.34 2.57 -0.00 -0.51 0.19 115.31 117.77 2hfi h LEU 107 Ca 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2hfi h LEU 107 Cb 0.51 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 40.96 2hfi h LEU 107 CO 0.01 0.59 0.22 0.22 -0.00 0.00 0.00 178.44 179.48 2hfi h TYR 108 N 1.02 0.43 -0.42 1.13 3.20 -0.82 -1.65 116.97 119.85 2hfi h TYR 108 Ca 0.34 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.21 2hfi h TYR 108 Cb 0.04 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 2hfi h TYR 108 CO -0.03 0.28 0.26 1.15 -1.64 0.00 0.00 178.16 178.19 2hfi h THR 109 N 0.45 1.13 -0.88 1.81 2.02 -0.75 -1.60 112.91 115.10 2hfi h THR 109 Ca 0.12 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 67.02 2hfi h THR 109 Cb -0.03 0.57 -0.05 0.00 -1.74 0.00 0.00 68.15 66.90 2hfi h THR 109 CO -0.03 0.13 0.58 -0.07 0.37 0.00 0.00 175.52 176.51 2hfi h LEU 110 N 0.56 0.99 -0.98 2.58 3.38 -0.43 0.14 115.31 121.55 2hfi h LEU 110 Ca 0.15 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 2hfi h LEU 110 Cb -0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2hfi h LEU 110 CO -0.03 0.71 -0.38 0.45 0.09 0.00 0.00 178.44 179.28 2hfi h HIS 111 N 1.17 0.28 -0.38 1.13 3.86 -1.05 -0.73 115.15 119.43 2hfi h HIS 111 Ca 0.33 -0.07 -0.14 0.00 -1.16 0.00 0.00 60.37 59.32 2hfi h HIS 111 Cb -0.11 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 2hfi h HIS 111 CO -0.01 0.60 -0.32 0.00 0.86 0.00 0.00 177.93 179.05 2hfi h ALA 112 N 1.39 0.55 -0.25 2.45 0.00 -0.28 -2.49 119.26 120.64 2hfi h ALA 112 Ca 0.02 -0.43 -0.20 0.00 0.00 0.00 0.00 54.91 54.31 2hfi h ALA 112 Cb 0.78 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2hfi h ALA 112 CO 0.06 0.61 -0.62 0.28 0.00 0.00 0.00 179.25 179.59 2hfi h VAL 113 N 0.71 1.28 -0.78 0.00 2.07 -0.83 -2.43 116.25 116.27 2hfi h VAL 113 Ca 0.07 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 65.78 2hfi h VAL 113 Cb 0.91 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 32.38 2hfi h VAL 113 CO 0.08 0.58 0.49 0.50 0.02 0.00 0.00 177.57 179.25 2hfi h LYS 114 N 0.63 1.05 -0.09 1.57 3.11 -1.13 -0.26 116.57 121.45 2hfi h LYS 114 Ca -0.01 -0.08 -0.17 0.00 -2.81 0.00 0.00 60.65 57.58 2hfi h LYS 114 Cb 1.23 -0.23 -0.01 0.00 -1.00 0.00 0.00 32.23 32.23 2hfi h LYS 114 CO 0.13 0.72 -0.68 0.22 -2.81 0.00 0.00 179.45 177.03 2hfi h ASP 115 N 1.07 0.45 -0.77 4.20 3.58 -1.34 -1.95 116.42 121.66 2hfi h ASP 115 Ca 0.28 -0.28 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 2hfi h ASP 115 Cb -0.08 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 40.81 2hfi h ASP 115 CO -0.06 1.00 0.32 -0.08 -2.88 0.00 0.00 179.24 177.54 2hfi h GLU 116 N 0.27 1.15 -0.85 0.28 4.57 -0.86 0.39 114.58 119.53 2hfi h GLU 116 Ca -0.02 -0.20 -0.03 0.00 -1.18 0.00 0.00 59.36 57.93 2hfi h GLU 116 Cb 1.24 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 29.60 2hfi h GLU 116 CO 0.12 0.93 0.42 0.82 -1.18 0.00 0.00 179.01 180.12 2hfi h ILE 117 N 1.12 1.26 -0.01 2.32 2.04 -0.88 -0.22 117.51 123.14 2hfi h ILE 117 Ca 0.26 -0.71 -0.11 0.00 1.00 0.00 0.00 64.86 65.30 2hfi h ILE 117 Cb 0.20 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 2hfi h ILE 117 CO -0.02 0.31 -0.49 0.00 0.00 0.00 0.00 178.15 177.94 2hfi h ALA 118 N 1.25 1.17 -0.00 1.87 0.00 -0.78 -2.63 119.26 120.13 2hfi h ALA 118 Ca 0.29 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2hfi h ALA 118 Cb 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2hfi h ALA 118 CO -0.04 0.62 -0.00 -2.13 0.00 0.00 0.00 179.25 177.70 2hfi n ARG 119 N -3.95 0.55 0.00 0.00 0.63 0.13 -1.88 116.66 112.14 2hfi n ARG 119 Ca -0.02 -0.00 0.10 0.00 -0.92 0.00 0.00 57.85 57.01 2hfi n ARG 119 Cb 0.51 -1.50 0.52 0.00 0.45 0.00 0.00 32.46 32.44 2hfi n ARG 119 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2hfi n GLU 120 N -1.22 0.39 -2.93 -0.14 4.07 -0.21 -4.91 120.64 115.69 2hfi n GLU 120 Ca 0.16 0.07 -0.02 0.00 -0.06 0.00 0.00 57.16 57.32 2hfi n GLU 120 Cb 0.21 -1.50 0.01 0.00 -0.06 0.00 0.00 31.44 30.10 2hfi n GLU 120 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2hfi n ASP 121 N -1.19 -7.14 -4.69 4.31 2.03 -0.79 -4.96 116.55 104.12 2hfi n ASP 121 Ca 0.11 -0.13 -0.42 0.00 0.52 0.00 0.00 54.79 54.88 2hfi n ASP 121 Cb 0.13 -4.89 -0.03 0.00 -0.72 0.00 0.00 41.12 35.60 2hfi n ASP 121 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2hfi s SER 122 N -2.95 7.16 0.00 1.67 1.04 -1.24 -5.11 113.70 114.26 2hfi s SER 122 Ca 0.05 1.41 0.28 0.00 0.48 0.00 0.00 55.95 58.17 2hfi s SER 122 Cb -0.01 -2.51 1.68 0.00 0.10 0.00 0.00 66.02 65.29 2hfi s SER 122 CO 0.68 -0.36 2.03 -1.14 0.98 0.00 0.00 173.24 175.43