#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hfn s LEU 6 N 0.00 4.36 0.09 1.04 2.96 -1.26 -0.07 118.68 125.79 2hfn s LEU 6 Ca 0.00 2.31 0.03 0.00 -0.22 0.00 0.00 54.13 56.26 2hfn s LEU 6 Cb 0.00 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.08 2hfn s LEU 6 CO 0.00 -0.71 -0.10 -0.31 -1.32 0.00 0.00 176.35 173.91 2hfn s TYR 7 N 1.63 1.02 0.01 5.38 1.51 0.62 -0.90 117.35 126.62 2hfn s TYR 7 Ca 0.66 -0.65 0.06 0.00 -1.01 0.00 0.00 57.07 56.13 2hfn s TYR 7 Cb -0.36 -0.56 -0.02 0.00 -0.11 0.00 0.00 41.96 40.91 2hfn s TYR 7 CO 0.30 -0.02 -0.18 0.50 -1.11 0.00 0.00 175.55 175.04 2hfn s ARG 8 N -2.70 1.33 -0.05 -0.62 3.52 -0.48 -1.75 118.95 118.20 2hfn s ARG 8 Ca 0.04 -0.71 0.03 0.00 -0.13 0.00 0.00 55.73 54.96 2hfn s ARG 8 Cb -0.03 -1.33 0.01 0.00 -1.56 0.00 0.00 34.95 32.04 2hfn s ARG 8 CO -0.00 0.35 -0.12 -1.17 -0.81 0.00 0.00 175.30 173.56 2hfn s LEU 9 N -0.68 1.72 -0.10 -0.88 0.20 0.13 -1.64 118.68 117.44 2hfn s LEU 9 Ca 0.06 -0.26 0.03 0.00 0.69 0.00 0.00 54.13 54.66 2hfn s LEU 9 Cb -0.07 -0.73 0.00 0.00 -0.43 0.00 0.00 46.19 44.96 2hfn s LEU 9 CO 0.00 0.06 -0.21 -0.63 -0.29 0.00 0.00 176.35 175.28 2hfn s ILE 10 N 0.39 1.88 0.09 6.68 1.01 0.02 0.02 121.20 131.29 2hfn s ILE 10 Ca -0.08 -0.90 -0.00 0.00 0.00 0.00 0.00 60.65 59.67 2hfn s ILE 10 Cb -0.12 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 2hfn s ILE 10 CO 0.02 0.52 -0.01 -0.72 0.00 0.00 0.00 174.94 174.75 2hfn s TYR 11 N 0.53 0.76 0.24 3.97 1.13 -0.66 -0.38 117.35 122.94 2hfn s TYR 11 Ca -0.15 -1.07 0.11 0.00 -1.41 0.00 0.00 57.07 54.55 2hfn s TYR 11 Cb -0.17 -0.47 -0.05 0.00 -1.10 0.00 0.00 41.96 40.17 2hfn s TYR 11 CO 0.05 -0.35 -0.21 -1.54 -2.51 0.00 0.00 175.55 171.00 2hfn s SER 12 N -3.01 3.42 0.25 -0.18 1.04 -0.35 -1.55 113.70 113.32 2hfn s SER 12 Ca 0.14 -0.98 -0.10 0.00 0.48 0.00 0.00 55.95 55.49 2hfn s SER 12 Cb 0.07 -0.27 -0.01 0.00 0.10 0.00 0.00 66.02 65.92 2hfn s SER 12 CO -0.04 0.04 0.43 -0.94 0.98 0.00 0.00 173.24 173.70 2hfn s SER 13 N -3.22 0.01 -0.35 7.02 1.04 -0.69 -0.37 113.70 117.13 2hfn s SER 13 Ca 0.26 -1.04 -0.09 0.00 0.48 0.00 0.00 55.95 55.56 2hfn s SER 13 Cb -0.05 0.56 0.03 0.00 0.10 0.00 0.00 66.02 66.65 2hfn s SER 13 CO 0.12 -1.11 0.16 -1.10 0.98 0.00 0.00 173.24 172.30 2hfn s GLN 14 N -3.97 2.83 0.49 4.02 -1.52 -0.20 -1.47 119.66 119.85 2hfn s GLN 14 Ca 0.26 -1.06 -0.21 0.00 -1.95 0.00 0.00 55.36 52.40 2hfn s GLN 14 Cb 0.01 -3.61 -0.07 0.00 -0.22 0.00 0.00 33.01 29.12 2hfn s GLN 14 CO 0.10 -0.64 1.12 0.20 -0.25 0.00 0.00 175.29 175.82 2hfn s GLY 15 N 1.51 2.67 0.69 3.09 0.00 0.99 -0.37 107.32 115.91 2hfn s GLY 15 Ca 0.01 0.82 -0.17 0.00 0.00 0.00 0.00 44.72 45.39 2hfn s GLY 15 CO 0.05 1.21 1.24 -0.26 0.00 0.00 0.00 173.10 175.34 2hfn s ILE 16 N -1.71 2.24 0.54 0.90 -4.36 -0.39 -4.84 121.20 113.57 2hfn s ILE 16 Ca 0.68 0.13 0.22 0.00 -0.26 0.00 0.00 60.65 61.42 2hfn s ILE 16 Cb -0.24 -2.87 0.34 0.00 1.25 0.00 0.00 42.46 40.94 2hfn s ILE 16 CO 0.29 -0.05 2.09 -0.65 0.24 0.00 0.00 174.94 176.85 2hfn h PRO 17 N 0.14 0.00 -0.02 0.37 0.11 -1.95 -3.15 132.00 127.50 2hfn h PRO 17 Ca -0.49 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.62 2hfn h PRO 17 Cb 1.31 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 2hfn h PRO 17 CO 0.51 0.00 0.06 -0.91 -0.21 0.00 0.00 178.00 177.45 2hfn h ASN 18 N 0.00 0.00 -2.44 -2.05 4.21 -1.97 -3.47 115.58 109.87 2hfn h ASN 18 Ca 0.11 0.00 -0.55 0.00 1.21 0.00 0.00 56.30 57.07 2hfn h ASN 18 Cb 0.46 0.00 0.05 0.00 -1.12 0.00 0.00 38.32 37.70 2hfn h ASN 18 CO -0.00 0.00 1.02 0.18 -1.29 0.00 0.00 177.43 177.34 2hfn n LEU 19 N -3.33 3.78 -4.69 1.61 4.77 -1.19 -5.02 117.00 112.94 2hfn n LEU 19 Ca -0.02 1.02 -0.24 0.00 -0.03 0.00 0.00 56.01 56.74 2hfn n LEU 19 Cb 0.14 -1.51 -0.07 0.00 -2.33 0.00 0.00 43.42 39.65 2hfn n LEU 19 CO 0.22 0.06 -0.30 -1.10 -1.33 0.00 0.00 177.39 174.94 2hfn s GLN 20 N 2.12 2.46 0.37 3.23 -1.52 -1.26 -5.01 119.66 120.04 2hfn s GLN 20 Ca 0.81 -1.22 0.20 0.00 -1.95 0.00 0.00 55.36 53.19 2hfn s GLN 20 Cb -0.55 -2.32 1.26 0.00 -0.22 0.00 0.00 33.01 31.19 2hfn s GLN 20 CO 0.38 0.41 1.62 -1.35 -0.25 0.00 0.00 175.29 176.09 2hfn h PRO 21 N 2.13 0.13 0.00 2.91 0.11 -2.01 0.70 132.00 135.98 2hfn h PRO 21 Ca -0.46 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 2hfn h PRO 21 Cb 1.23 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2hfn h PRO 21 CO 0.60 0.09 -0.37 0.37 -0.21 0.00 0.00 178.00 178.47 2hfn h GLN 22 N 0.13 0.00 -0.50 1.05 5.75 -1.99 -1.98 115.11 117.57 2hfn h GLN 22 Ca 0.80 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 59.18 2hfn h GLN 22 Cb 2.07 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 30.60 2hfn h GLN 22 CO -0.67 0.37 -0.17 -0.44 -2.65 0.00 0.00 178.83 175.27 2hfn h ASP 23 N 0.00 1.00 -0.62 -0.69 3.32 -1.25 0.13 116.42 118.31 2hfn h ASP 23 Ca -0.00 -0.36 -0.04 0.00 0.02 0.00 0.00 57.03 56.66 2hfn h ASP 23 Cb 0.70 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 2hfn h ASP 23 CO 0.05 1.14 0.25 -0.07 -1.72 0.00 0.00 179.24 178.89 2hfn h LEU 24 N 0.86 0.86 -0.62 1.55 4.07 -1.37 -0.46 115.31 120.21 2hfn h LEU 24 Ca 0.12 -0.17 -0.10 0.00 0.08 0.00 0.00 57.88 57.82 2hfn h LEU 24 Cb 0.74 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.23 2hfn h LEU 24 CO 0.06 0.79 0.01 0.50 -1.08 0.00 0.00 178.44 178.73 2hfn h LYS 25 N 0.87 1.09 -0.04 1.13 3.64 -1.18 0.10 116.57 122.18 2hfn h LYS 25 Ca 0.21 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2hfn h LYS 25 Cb 0.20 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2hfn h LYS 25 CO -0.02 1.05 0.02 -0.44 -2.27 0.00 0.00 179.45 177.80 2hfn h ASP 26 N 1.00 0.04 -0.38 4.20 3.45 -0.75 0.13 116.42 124.11 2hfn h ASP 26 Ca 0.18 -0.01 0.04 0.00 0.43 0.00 0.00 57.03 57.67 2hfn h ASP 26 Cb 0.55 -0.01 -0.04 0.00 -0.56 0.00 0.00 39.33 39.27 2hfn h ASP 26 CO 0.03 0.04 0.14 0.40 -1.57 0.00 0.00 179.24 178.28 2hfn h ILE 27 N 0.04 0.89 -0.29 0.35 2.04 -0.97 -0.86 117.51 118.72 2hfn h ILE 27 Ca 0.01 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.79 2hfn h ILE 27 Cb 0.00 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 2hfn h ILE 27 CO -0.00 0.05 0.14 0.25 0.00 0.00 0.00 178.15 178.59 2hfn h LEU 28 N 0.30 0.20 -0.73 1.44 6.46 -0.67 -0.25 115.31 122.05 2hfn h LEU 28 Ca 0.17 0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.90 2hfn h LEU 28 Cb 0.15 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.03 2hfn h LEU 28 CO -0.17 0.15 0.27 -0.33 -0.62 0.00 0.00 178.44 177.74 2hfn h GLU 29 N 0.29 1.10 -0.13 1.25 5.08 -0.45 -0.06 114.58 121.66 2hfn h GLU 29 Ca 0.12 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2hfn h GLU 29 Cb 0.05 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2hfn h GLU 29 CO -0.09 0.91 0.09 0.77 -1.00 0.00 0.00 179.01 179.69 2hfn h SER 30 N 1.05 0.15 -0.40 1.42 0.02 -0.81 -0.40 113.55 114.59 2hfn h SER 30 Ca 0.24 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.09 2hfn h SER 30 Cb 0.24 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 2hfn h SER 30 CO -0.02 0.11 -0.10 0.77 -1.14 0.00 0.00 176.83 176.46 2hfn h SER 31 N 0.18 0.83 1.13 3.07 4.64 -0.73 -1.11 113.55 121.55 2hfn h SER 31 Ca 0.05 -0.25 -0.02 0.00 -0.47 0.00 0.00 61.79 61.10 2hfn h SER 31 Cb -0.02 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 61.84 2hfn h SER 31 CO -0.01 0.95 -0.08 1.56 -0.87 0.00 0.00 176.83 178.38 2hfn h GLN 32 N 0.76 0.00 0.05 4.77 4.20 -0.87 0.48 115.11 124.50 2hfn h GLN 32 Ca 0.13 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.67 2hfn h GLN 32 Cb 0.60 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.39 2hfn h GLN 32 CO 0.04 0.08 -0.68 -0.09 -0.67 0.00 0.00 178.83 177.51 2hfn h ARG 33 N 0.00 0.38 0.13 1.46 2.43 -0.57 -3.41 114.38 114.80 2hfn h ARG 33 Ca -0.00 -0.47 -0.34 0.00 -0.81 0.00 0.00 59.98 58.36 2hfn h ARG 33 Cb 0.67 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 2hfn h ARG 33 CO 0.01 1.15 -1.77 -0.91 -1.51 0.00 0.00 179.97 176.95 2hfn h ASN 34 N -0.18 0.44 -0.31 -3.80 2.35 -1.14 -3.42 115.58 109.52 2hfn h ASN 34 Ca -0.10 -0.90 0.03 0.00 -0.55 0.00 0.00 56.30 54.77 2hfn h ASN 34 Cb 1.43 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.63 2hfn h ASN 34 CO 0.13 1.77 0.14 0.78 -1.65 0.00 0.00 177.43 178.60 2hfn h ASN 35 N -0.06 0.19 -0.53 5.81 4.21 -1.12 -3.09 115.58 120.99 2hfn h ASN 35 Ca -0.37 0.02 0.08 0.00 1.21 0.00 0.00 56.30 57.24 2hfn h ASN 35 Cb 1.95 -0.01 -0.07 0.00 -1.12 0.00 0.00 38.32 39.07 2hfn h ASN 35 CO 0.09 0.15 0.16 -0.65 -1.29 0.00 0.00 177.43 175.88 2hfn h PRO 36 N 0.29 0.30 -0.03 0.81 0.11 -1.78 -0.02 132.00 131.68 2hfn h PRO 36 Ca 0.13 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.19 2hfn h PRO 36 Cb 0.07 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2hfn h PRO 36 CO -0.11 0.20 -0.16 0.00 -0.21 0.00 0.00 178.00 177.73 2hfn h ALA 37 N 1.38 1.69 -0.04 -0.75 0.00 -1.83 -1.79 119.26 117.93 2hfn h ALA 37 Ca 0.26 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2hfn h ALA 37 Cb 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2hfn h ALA 37 CO -0.30 0.23 0.00 0.09 0.00 0.00 0.00 179.25 179.27 2hfn n ASN 38 N -4.33 1.30 -1.18 0.00 3.02 -0.57 -4.94 115.26 108.57 2hfn n ASN 38 Ca -0.02 -1.48 -0.15 0.00 -0.03 0.00 0.00 54.58 52.91 2hfn n ASN 38 Cb 0.24 -0.02 -0.06 0.00 -0.61 0.00 0.00 39.78 39.33 2hfn n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hfn n GLY 39 N 1.13 1.35 3.79 7.41 0.00 -0.27 -4.78 105.19 113.82 2hfn n GLY 39 Ca 0.19 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 2hfn n GLY 39 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hfn s ILE 40 N -2.56 4.96 0.24 -0.61 -1.09 -0.18 -4.49 121.20 117.46 2hfn s ILE 40 Ca 0.00 1.07 0.06 0.00 -2.23 0.00 0.00 60.65 59.55 2hfn s ILE 40 Cb 0.00 -3.84 -0.05 0.00 -1.58 0.00 0.00 42.46 36.99 2hfn s ILE 40 CO 0.00 0.48 -0.07 0.42 -1.23 0.00 0.00 174.94 174.54 2hfn s THR 41 N -0.49 1.46 -4.79 2.92 -4.23 -0.68 -4.34 115.64 105.49 2hfn s THR 41 Ca 0.27 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 2hfn s THR 41 Cb -0.17 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.40 2hfn s THR 41 CO 0.15 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 2hfn n GLY 42 N -0.45 -0.50 3.41 3.99 0.00 -1.09 -0.50 105.19 110.04 2hfn n GLY 42 Ca -0.06 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 2hfn n GLY 42 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2hfn s LEU 43 N 0.00 -0.12 -0.09 0.99 2.96 -1.01 -3.44 118.68 117.97 2hfn s LEU 43 Ca 0.00 1.06 0.04 0.00 -0.22 0.00 0.00 54.13 55.01 2hfn s LEU 43 Cb 0.00 1.74 -0.01 0.00 0.50 0.00 0.00 46.19 48.42 2hfn s LEU 43 CO 0.00 -0.19 -0.22 -0.22 -1.32 0.00 0.00 176.35 174.40 2hfn s LEU 44 N 0.73 2.23 -0.06 -0.68 2.96 0.04 -1.55 118.68 122.34 2hfn s LEU 44 Ca -0.04 -0.49 0.04 0.00 -0.22 0.00 0.00 54.13 53.43 2hfn s LEU 44 Cb -0.05 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.18 2hfn s LEU 44 CO -0.05 0.19 -0.18 0.00 -1.32 0.00 0.00 176.35 174.99 2hfn s TYR 46 N -0.36 3.05 -0.43 0.00 5.04 0.36 -1.10 117.35 123.92 2hfn s TYR 46 Ca 0.03 -1.76 0.03 0.00 -2.44 0.00 0.00 57.07 52.94 2hfn s TYR 46 Cb -0.12 -2.00 0.12 0.00 0.35 0.00 0.00 41.96 40.30 2hfn s TYR 46 CO 0.02 -0.78 0.16 0.45 -1.34 0.00 0.00 175.55 174.06 2hfn s SER 47 N 1.26 4.41 -0.25 4.32 0.15 0.11 -0.65 113.70 123.06 2hfn s SER 47 Ca -0.01 -2.54 -0.23 0.00 0.70 0.00 0.00 55.95 53.87 2hfn s SER 47 Cb -0.17 -1.52 -0.10 0.00 -1.71 0.00 0.00 66.02 62.52 2hfn s SER 47 CO -0.06 -0.31 0.89 0.29 1.20 0.00 0.00 173.24 175.25 2hfn n LYS 48 N 3.73 0.00 -0.32 5.44 4.01 -1.26 0.14 118.16 129.90 2hfn n LYS 48 Ca 0.04 0.00 0.11 0.00 -0.51 0.00 0.00 58.31 57.95 2hfn n LYS 48 Cb 0.37 -0.75 0.28 0.00 -0.51 0.00 0.00 35.03 34.42 2hfn n LYS 48 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 2hfn n PRO 49 N 2.60 2.69 -2.78 1.97 -0.04 -1.26 -5.06 135.00 133.13 2hfn n PRO 49 Ca 0.20 -2.52 -0.36 0.00 -0.04 0.00 0.00 63.50 60.78 2hfn n PRO 49 Cb -0.03 -1.52 -0.06 0.00 -0.04 0.00 0.00 33.50 31.85 2hfn n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hfn s ALA 50 N -1.07 3.17 0.08 0.55 0.00 0.12 -0.00 121.76 124.61 2hfn s ALA 50 Ca 0.44 0.51 0.05 0.00 0.00 0.00 0.00 51.96 52.95 2hfn s ALA 50 Cb 0.23 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 2hfn s ALA 50 CO 0.31 0.15 -0.02 -0.06 0.00 0.00 0.00 175.76 176.14 2hfn s PHE 51 N -1.72 2.96 -0.06 0.00 0.40 -0.54 -0.71 117.98 118.30 2hfn s PHE 51 Ca 0.53 -0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.82 2hfn s PHE 51 Cb -0.17 -1.54 0.02 0.00 0.51 0.00 0.00 43.02 41.84 2hfn s PHE 51 CO 0.22 0.46 -0.03 -1.17 0.70 0.00 0.00 175.22 175.41 2hfn s LEU 52 N -2.15 1.04 -0.00 -0.37 2.96 -0.26 -1.71 118.68 118.19 2hfn s LEU 52 Ca 0.24 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 54.05 2hfn s LEU 52 Cb -0.12 -0.45 -0.00 0.00 0.50 0.00 0.00 46.19 46.12 2hfn s LEU 52 CO 0.16 -0.11 -0.05 -1.58 -1.32 0.00 0.00 176.35 173.45 2hfn s GLN 53 N 1.35 0.42 -0.11 1.98 0.74 -0.59 -0.11 119.66 123.34 2hfn s GLN 53 Ca -0.04 -0.19 -0.00 0.00 0.05 0.00 0.00 55.36 55.17 2hfn s GLN 53 Cb -0.13 -0.41 -0.03 0.00 1.10 0.00 0.00 33.01 33.54 2hfn s GLN 53 CO -0.02 0.11 -0.08 0.54 -0.55 0.00 0.00 175.29 175.29 2hfn s VAL 54 N -0.13 3.54 -0.05 1.34 0.11 -0.60 -1.65 120.40 122.96 2hfn s VAL 54 Ca 0.02 -0.51 0.06 0.00 -2.93 0.00 0.00 61.98 58.62 2hfn s VAL 54 Cb -0.02 -2.48 -0.01 0.00 -1.53 0.00 0.00 36.38 32.33 2hfn s VAL 54 CO -0.00 0.55 -0.24 -0.76 -3.33 0.00 0.00 175.10 171.31 2hfn s LEU 55 N -0.19 2.11 0.06 2.54 1.43 0.10 -2.42 118.68 122.31 2hfn s LEU 55 Ca 0.02 -0.48 0.07 0.00 -1.03 0.00 0.00 54.13 52.71 2hfn s LEU 55 Cb -0.13 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 2hfn s LEU 55 CO 0.03 0.26 -0.19 -1.61 0.23 0.00 0.00 176.35 175.07 2hfn s GLU 56 N -0.28 1.20 0.00 1.70 2.02 0.34 -0.69 118.70 123.00 2hfn s GLU 56 Ca -0.00 -0.94 0.00 0.00 0.02 0.00 0.00 54.97 54.05 2hfn s GLU 56 Cb -0.13 -1.31 0.00 0.00 0.10 0.00 0.00 34.13 32.79 2hfn s GLU 56 CO 0.03 0.33 0.00 0.41 0.02 0.00 0.00 175.26 176.04 2hfn n GLY 57 N 1.69 -0.95 3.76 -1.39 0.00 -0.72 -1.68 105.19 105.90 2hfn n GLY 57 Ca -0.18 -1.33 -0.39 0.00 0.00 0.00 0.00 46.02 44.12 2hfn n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hfn s GLU 58 N -2.00 3.56 0.16 1.61 2.02 -1.26 -0.28 118.70 122.51 2hfn s GLU 58 Ca 0.00 2.25 -0.28 0.00 0.02 0.00 0.00 54.97 56.96 2hfn s GLU 58 Cb 0.00 -2.51 -0.01 0.00 0.10 0.00 0.00 34.13 31.71 2hfn s GLU 58 CO 0.00 -0.86 1.56 0.00 0.02 0.00 0.00 175.26 175.98 2hfn h GLU 60 N -0.22 0.13 -0.41 0.00 4.81 -1.92 -1.32 114.58 115.64 2hfn h GLU 60 Ca 0.16 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.27 2hfn h GLU 60 Cb 0.55 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2hfn h GLU 60 CO -0.73 0.08 -0.17 1.96 -0.73 0.00 0.00 179.01 179.42 2hfn h GLN 61 N 0.13 0.85 -0.49 1.92 1.08 -1.61 -0.75 115.11 116.23 2hfn h GLN 61 Ca 0.28 -0.36 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2hfn h GLN 61 Cb 0.43 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 2hfn h GLN 61 CO -0.45 0.99 0.33 0.28 -0.95 0.00 0.00 178.83 179.03 2hfn h VAL 62 N 0.67 1.13 -0.45 -0.54 2.07 -0.66 -0.90 116.25 117.56 2hfn h VAL 62 Ca 0.10 -0.24 -0.12 0.00 0.82 0.00 0.00 66.70 67.26 2hfn h VAL 62 Cb 0.72 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2hfn h VAL 62 CO 0.05 0.12 -0.20 0.78 0.02 0.00 0.00 177.57 178.35 2hfn h ASN 63 N 0.67 0.96 -0.38 0.57 4.21 -1.15 0.29 115.58 120.75 2hfn h ASN 63 Ca 0.18 -0.40 -0.00 0.00 1.21 0.00 0.00 56.30 57.29 2hfn h ASN 63 Cb -0.07 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 36.84 2hfn h ASN 63 CO -0.04 1.14 0.23 -0.08 -1.29 0.00 0.00 177.43 177.40 2hfn h GLU 64 N 0.77 0.51 -0.28 0.81 4.22 -0.89 -1.27 114.58 118.46 2hfn h GLU 64 Ca 0.10 -0.04 -0.05 0.00 0.08 0.00 0.00 59.36 59.46 2hfn h GLU 64 Cb 0.77 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2hfn h GLU 64 CO 0.06 0.37 -0.00 1.15 -2.18 0.00 0.00 179.01 178.41 2hfn h THR 65 N 0.50 1.26 0.10 0.32 2.02 -1.07 -1.86 112.91 114.18 2hfn h THR 65 Ca 0.14 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.39 2hfn h THR 65 Cb -0.01 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2hfn h THR 65 CO -0.03 0.30 -0.10 0.22 0.37 0.00 0.00 175.52 176.28 2hfn h TYR 66 N 0.28 -0.26 0.00 3.16 5.03 -0.75 -0.66 116.97 123.78 2hfn h TYR 66 Ca 0.08 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.33 2hfn h TYR 66 Cb 0.43 0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.80 2hfn h TYR 66 CO 0.04 -0.16 -0.27 0.45 -1.32 0.00 0.00 178.16 176.90 2hfn h HIS 67 N -0.23 0.00 -0.08 -3.82 3.86 -1.21 -1.81 115.15 111.86 2hfn h HIS 67 Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 2hfn h HIS 67 Cb 0.22 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.68 2hfn h HIS 67 CO -0.11 0.27 -0.03 -0.09 0.86 0.00 0.00 177.93 178.83 2hfn h ARG 68 N 0.00 0.17 -0.83 2.45 2.43 -0.95 -3.26 114.38 114.38 2hfn h ARG 68 Ca -0.00 -0.07 0.10 0.00 -0.81 0.00 0.00 59.98 59.20 2hfn h ARG 68 Cb 0.58 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.05 2hfn h ARG 68 CO 0.03 0.50 0.47 0.82 -1.51 0.00 0.00 179.97 180.29 2hfn h ILE 69 N -0.18 0.88 -0.27 1.20 2.04 -0.36 -1.85 117.51 118.98 2hfn h ILE 69 Ca 0.02 -0.27 0.05 0.00 1.00 0.00 0.00 64.86 65.67 2hfn h ILE 69 Cb 0.45 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 2hfn h ILE 69 CO 0.01 0.14 0.19 1.62 0.00 0.00 0.00 178.15 180.11 2hfn h VAL 70 N 0.77 0.93 0.00 1.67 3.04 -1.40 -0.71 116.25 120.55 2hfn h VAL 70 Ca 0.41 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 66.06 2hfn h VAL 70 Cb 0.41 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 30.49 2hfn h VAL 70 CO -0.26 0.02 0.00 0.00 -1.01 0.00 0.00 177.57 176.32 2hfn n GLN 71 N -4.48 0.31 -2.20 4.17 6.02 -0.69 -4.81 117.38 115.69 2hfn n GLN 71 Ca 0.03 0.08 -0.42 0.00 -0.01 0.00 0.00 57.00 56.68 2hfn n GLN 71 Cb 0.26 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.99 2hfn n GLN 71 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2hfn s ASP 72 N -2.57 6.84 0.66 1.08 3.68 -0.27 -4.90 116.67 121.19 2hfn s ASP 72 Ca 0.20 2.14 0.41 0.00 2.13 0.00 0.00 52.55 57.43 2hfn s ASP 72 Cb 0.14 -2.56 2.23 0.00 -1.45 0.00 0.00 42.92 41.28 2hfn s ASP 72 CO 0.33 -0.72 2.27 1.05 0.13 0.00 0.00 175.17 178.22 2hfn h GLU 73 N 7.82 0.00 -0.00 4.34 4.11 -1.88 -3.13 114.58 125.83 2hfn h GLU 73 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.05 2hfn h GLU 73 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2hfn h GLU 73 CO 0.90 0.00 -0.06 0.54 0.07 0.00 0.00 179.01 180.46 2hfn n ARG 74 N -3.08 0.61 -3.97 1.06 1.74 -1.26 -4.84 116.66 106.93 2hfn n ARG 74 Ca -0.03 -0.13 -0.09 0.00 -0.77 0.00 0.00 57.85 56.83 2hfn n ARG 74 Cb 0.14 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.03 2hfn n ARG 74 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2hfn s HIS 75 N -2.48 0.33 0.29 -1.55 -3.43 -1.19 -1.26 115.29 106.00 2hfn s HIS 75 Ca 0.30 -0.68 -0.10 0.00 -0.80 0.00 0.00 55.06 53.77 2hfn s HIS 75 Cb 0.20 0.17 0.00 0.00 -1.43 0.00 0.00 32.58 31.52 2hfn s HIS 75 CO 0.46 -0.94 0.51 -3.38 -2.00 0.00 0.00 174.74 169.39 2hfn s HIS 76 N -4.00 0.51 -1.26 0.38 -3.43 0.51 -4.83 115.29 103.18 2hfn s HIS 76 Ca 0.20 -0.88 -0.04 0.00 -0.80 0.00 0.00 55.06 53.55 2hfn s HIS 76 Cb -0.00 0.19 -0.01 0.00 -1.43 0.00 0.00 32.58 31.33 2hfn s HIS 76 CO 0.06 -1.09 0.72 0.43 -2.00 0.00 0.00 174.74 172.87 2hfn n SER 77 N -0.74 -2.30 -4.77 7.38 7.64 -1.26 -1.03 113.62 118.54 2hfn n SER 77 Ca -0.02 -0.85 -0.40 0.00 1.01 0.00 0.00 58.87 58.62 2hfn n SER 77 Cb 0.62 -4.02 0.00 0.00 -1.01 0.00 0.00 64.21 59.79 2hfn n SER 77 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2hfn s PRO 78 N -5.85 3.92 -0.27 1.43 0.04 -1.26 -4.47 135.00 128.55 2hfn s PRO 78 Ca 0.12 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.41 2hfn s PRO 78 Cb -0.03 -2.76 0.08 0.00 0.04 0.00 0.00 34.50 31.83 2hfn s PRO 78 CO 0.82 -0.56 0.02 -0.65 0.04 0.00 0.00 177.00 176.67 2hfn s GLN 79 N -2.26 1.16 0.06 4.56 -1.52 0.50 -5.00 119.66 117.16 2hfn s GLN 79 Ca 0.57 -1.06 -0.31 0.00 -1.95 0.00 0.00 55.36 52.61 2hfn s GLN 79 Cb -0.40 -2.42 -0.07 0.00 -0.22 0.00 0.00 33.01 29.90 2hfn s GLN 79 CO 0.52 -0.78 1.45 0.42 -0.25 0.00 0.00 175.29 176.64 2hfn s ILE 80 N 1.46 3.40 -0.25 1.08 1.01 -1.26 -1.21 121.20 125.42 2hfn s ILE 80 Ca 0.02 0.90 0.00 0.00 0.00 0.00 0.00 60.65 61.58 2hfn s ILE 80 Cb -0.18 -3.58 -0.17 0.00 0.01 0.00 0.00 42.46 38.54 2hfn s ILE 80 CO -0.13 0.03 -0.21 -0.38 0.00 0.00 0.00 174.94 174.25 2hfn n ILE 81 N 4.37 1.51 -3.68 2.92 5.41 0.49 -4.97 119.36 125.41 2hfn n ILE 81 Ca 0.13 -0.56 -0.13 0.00 1.00 0.00 0.00 62.75 63.19 2hfn n ILE 81 Cb 0.42 -1.48 -0.09 0.00 -0.71 0.00 0.00 39.64 37.79 2hfn n ILE 81 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2hfn s GLU 82 N -2.52 0.65 -0.10 0.38 2.12 -0.97 -4.73 118.70 113.54 2hfn s GLU 82 Ca -0.35 0.79 -0.04 0.00 0.36 0.00 0.00 54.97 55.73 2hfn s GLU 82 Cb 0.09 0.31 0.05 0.00 0.26 0.00 0.00 34.13 34.85 2hfn s GLU 82 CO 0.60 -0.08 0.19 0.00 -0.54 0.00 0.00 175.26 175.43 2hfn s MET 84 N 2.18 1.24 0.52 0.00 0.23 -0.65 -5.02 119.30 117.80 2hfn s MET 84 Ca 0.01 -0.37 -0.22 0.00 -1.03 0.00 0.00 55.69 54.08 2hfn s MET 84 Cb -0.12 0.57 -0.05 0.00 -1.53 0.00 0.00 34.83 33.70 2hfn s MET 84 CO -0.07 -0.52 1.30 -2.14 -2.03 0.00 0.00 175.02 171.57 2hfn s PRO 85 N -3.38 3.29 0.13 3.16 0.02 -1.26 -1.38 135.00 135.59 2hfn s PRO 85 Ca -0.01 2.11 0.09 0.00 0.02 0.00 0.00 61.00 63.20 2hfn s PRO 85 Cb -0.01 -2.29 -0.04 0.00 0.02 0.00 0.00 34.50 32.19 2hfn s PRO 85 CO -0.10 -1.03 -0.20 0.96 -0.33 0.00 0.00 177.00 176.31 2hfn s ILE 86 N -1.37 1.81 0.17 2.83 -4.36 -0.08 -4.81 121.20 115.40 2hfn s ILE 86 Ca 0.70 -1.74 -0.01 0.00 -0.26 0.00 0.00 60.65 59.34 2hfn s ILE 86 Cb -0.37 -1.73 -0.11 0.00 1.25 0.00 0.00 42.46 41.50 2hfn s ILE 86 CO 0.44 -0.16 1.43 0.03 0.24 0.00 0.00 174.94 176.91 2hfn h ARG 87 N 3.68 0.39 -2.22 0.37 2.47 -1.96 -3.43 114.38 113.67 2hfn h ARG 87 Ca -0.45 -0.33 0.01 0.00 -1.26 0.00 0.00 59.98 57.96 2hfn h ARG 87 Cb 1.19 0.07 -0.17 0.00 -1.65 0.00 0.00 29.97 29.41 2hfn h ARG 87 CO 0.45 0.97 0.33 -0.98 0.56 0.00 0.00 179.97 181.30 2hfn s ARG 88 N -3.58 0.97 0.62 0.04 1.70 -1.26 -5.10 118.95 112.34 2hfn s ARG 88 Ca -0.06 -0.06 -0.14 0.00 -0.47 0.00 0.00 55.73 55.01 2hfn s ARG 88 Cb 0.10 0.45 -0.03 0.00 -0.57 0.00 0.00 34.95 34.91 2hfn s ARG 88 CO 0.84 -0.36 1.05 1.03 -1.08 0.00 0.00 175.30 176.78 2hfn s ARG 89 N -2.21 3.26 -0.00 3.89 0.52 -1.26 -4.98 118.95 118.17 2hfn s ARG 89 Ca -0.03 1.07 0.01 0.00 -0.52 0.00 0.00 55.73 56.26 2hfn s ARG 89 Cb -0.01 -2.03 -0.01 0.00 0.52 0.00 0.00 34.95 33.42 2hfn s ARG 89 CO -0.01 -0.85 0.02 0.09 0.02 0.00 0.00 175.30 174.57 2hfn n ASN 90 N -2.41 3.81 -0.88 0.23 4.13 -1.26 -4.77 115.26 114.11 2hfn n ASN 90 Ca 0.08 -0.11 0.01 0.00 1.68 0.00 0.00 54.58 56.24 2hfn n ASN 90 Cb 0.53 1.03 0.20 0.00 -1.54 0.00 0.00 39.78 40.00 2hfn n ASN 90 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2hfn n PHE 91 N -1.42 0.64 0.34 3.10 3.01 -1.26 -4.82 117.46 117.05 2hfn n PHE 91 Ca -0.00 -1.48 0.12 0.00 1.01 0.00 0.00 57.45 57.10 2hfn n PHE 91 Cb 0.02 -0.38 0.54 0.00 -0.01 0.00 0.00 39.48 39.65 2hfn n PHE 91 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 2hfn h GLU 92 N 0.98 0.00 0.00 -1.08 9.09 -1.95 -3.17 114.58 118.45 2hfn h GLU 92 Ca 0.12 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.43 2hfn h GLU 92 Cb 1.38 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.46 2hfn h GLU 92 CO 0.22 0.00 -0.45 -0.39 0.05 0.00 0.00 179.01 178.44 2hfn h VAL 93 N 0.00 0.99 -4.36 -1.06 -1.51 -1.96 -3.44 116.25 104.91 2hfn h VAL 93 Ca 0.00 -1.78 -0.62 0.00 -1.23 0.00 0.00 66.70 63.06 2hfn h VAL 93 Cb 0.30 2.07 -0.30 0.00 -2.13 0.00 0.00 31.29 31.23 2hfn h VAL 93 CO 0.00 0.44 -0.86 0.26 -1.23 0.00 0.00 177.57 176.18 2hfn s TRP 94 N -3.48 1.96 0.30 5.19 0.52 -1.20 -5.00 118.94 117.24 2hfn s TRP 94 Ca 0.00 -0.41 -0.01 0.00 0.02 0.00 0.00 56.10 55.71 2hfn s TRP 94 Cb 0.11 -1.27 0.47 0.00 -1.15 0.00 0.00 33.47 31.63 2hfn s TRP 94 CO 0.71 -0.06 1.92 0.66 0.02 0.00 0.00 176.95 180.19 2hfn h SER 95 N 5.71 0.82 -3.72 2.95 4.64 -1.85 -2.89 113.55 119.21 2hfn h SER 95 Ca -0.38 -0.07 0.08 0.00 -0.47 0.00 0.00 61.79 60.94 2hfn h SER 95 Cb 1.14 -0.21 -0.24 0.00 -0.31 0.00 0.00 62.40 62.78 2hfn h SER 95 CO 0.48 0.68 0.53 -0.32 -0.87 0.00 0.00 176.83 177.32 2hfn s MET 96 N -5.57 0.54 0.10 4.77 -2.45 -1.26 -3.47 119.30 111.96 2hfn s MET 96 Ca -0.10 0.31 0.00 0.00 -1.25 0.00 0.00 55.69 54.65 2hfn s MET 96 Cb 0.17 0.26 -0.04 0.00 1.25 0.00 0.00 34.83 36.46 2hfn s MET 96 CO 0.79 -0.13 -0.03 1.14 1.05 0.00 0.00 175.02 177.84 2hfn s GLN 97 N -0.58 0.82 -0.04 4.11 -2.07 -1.22 -4.84 119.66 115.84 2hfn s GLN 97 Ca 0.00 -1.35 0.01 0.00 -1.82 0.00 0.00 55.36 52.21 2hfn s GLN 97 Cb -0.02 -0.02 0.02 0.00 -1.09 0.00 0.00 33.01 31.90 2hfn s GLN 97 CO -0.02 -0.10 -0.05 0.00 -1.32 0.00 0.00 175.29 173.81 2hfn s ALA 98 N -3.79 0.63 -0.01 2.60 0.00 -1.26 -0.78 121.76 119.15 2hfn s ALA 98 Ca 0.14 -0.07 0.06 0.00 0.00 0.00 0.00 51.96 52.09 2hfn s ALA 98 Cb 0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 2hfn s ALA 98 CO -0.04 0.02 -0.19 0.42 0.00 0.00 0.00 175.76 175.97 2hfn s ILE 99 N 0.74 1.47 -0.19 0.00 1.01 -0.09 -4.99 121.20 119.15 2hfn s ILE 99 Ca -0.10 -0.82 -0.09 0.00 0.00 0.00 0.00 60.65 59.63 2hfn s ILE 99 Cb -0.13 -1.23 -0.05 0.00 0.01 0.00 0.00 42.46 41.06 2hfn s ILE 99 CO 0.00 0.40 0.12 0.42 0.00 0.00 0.00 174.94 175.87 2hfn s THR 100 N -0.47 5.28 -0.30 2.92 -4.23 -1.26 -0.49 115.64 117.10 2hfn s THR 100 Ca 0.07 0.14 -0.02 0.00 -1.18 0.00 0.00 61.69 60.70 2hfn s THR 100 Cb -0.07 -3.40 0.05 0.00 1.34 0.00 0.00 72.50 70.41 2hfn s THR 100 CO -0.01 0.45 0.01 -0.69 -0.54 0.00 0.00 174.62 173.84 2hfn s VAL 101 N 0.33 3.10 0.00 2.29 1.01 0.18 -4.89 120.40 122.43 2hfn s VAL 101 Ca 0.07 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 60.74 2hfn s VAL 101 Cb -0.11 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.50 2hfn s VAL 101 CO -0.01 -0.09 0.00 -0.46 0.00 0.00 0.00 175.10 174.53 2hfn n ASN 102 N 4.66 0.00 0.17 3.32 2.04 -1.26 -4.17 115.26 120.02 2hfn n ASN 102 Ca -0.13 -0.42 0.13 0.00 -0.44 0.00 0.00 54.58 53.72 2hfn n ASN 102 Cb 0.44 0.00 0.43 0.00 -2.53 0.00 0.00 39.78 38.12 2hfn n ASN 102 CO 0.00 0.00 0.00 -2.24 -0.44 0.00 0.00 177.26 174.58 2hfn h ASP 103 N 0.00 0.00 -0.05 0.53 -0.00 -1.98 -2.85 116.42 112.07 2hfn h ASP 103 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 2hfn h ASP 103 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 2hfn h ASP 103 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 179.24 179.24 2hfn n LEU 104 N -2.61 1.44 -4.73 0.15 -0.00 -1.26 -4.94 117.00 105.05 2hfn n LEU 104 Ca 0.03 -0.51 -0.31 0.00 -0.00 0.00 0.00 56.01 55.22 2hfn n LEU 104 Cb 0.37 -0.02 0.12 0.00 -0.00 0.00 0.00 43.42 43.89 2hfn n LEU 104 CO 0.28 0.26 0.68 -0.44 -0.00 0.00 0.00 177.39 178.17 2hfn s SER 105 N -1.89 3.82 0.82 1.45 0.01 -1.08 -5.01 113.70 111.82 2hfn s SER 105 Ca 0.37 1.82 -0.12 0.00 1.31 0.00 0.00 55.95 59.33 2hfn s SER 105 Cb 0.20 -2.45 0.09 0.00 0.21 0.00 0.00 66.02 64.07 2hfn s SER 105 CO 0.32 -2.47 1.18 0.42 0.41 0.00 0.00 173.24 173.09 2hfn s THR 106 N -2.84 2.20 0.31 1.44 -4.23 -1.26 -4.79 115.64 106.48 2hfn s THR 106 Ca 0.63 0.08 -0.00 0.00 -1.18 0.00 0.00 61.69 61.22 2hfn s THR 106 Cb -0.19 -2.40 0.22 0.00 1.34 0.00 0.00 72.50 71.48 2hfn s THR 106 CO 0.57 -0.07 1.93 -0.33 -0.54 0.00 0.00 174.62 176.18 2hfn h GLU 107 N -1.12 0.90 -0.90 3.99 4.39 -1.98 -1.55 114.58 118.31 2hfn h GLU 107 Ca -0.45 -0.10 0.06 0.00 0.34 0.00 0.00 59.36 59.21 2hfn h GLU 107 Cb 1.28 -0.18 -0.06 0.00 -0.10 0.00 0.00 28.75 29.69 2hfn h GLU 107 CO 0.46 0.67 0.57 0.37 -1.16 0.00 0.00 179.01 179.91 2hfn h GLN 108 N 0.91 1.02 -0.06 2.33 4.15 -1.99 -0.74 115.11 120.72 2hfn h GLN 108 Ca 0.23 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.54 2hfn h GLN 108 Cb 0.03 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.49 2hfn h GLN 108 CO -0.04 0.67 -0.16 0.28 -1.93 0.00 0.00 178.83 177.66 2hfn h VAL 109 N 1.05 1.43 -0.98 2.39 2.07 -1.78 -2.56 116.25 117.86 2hfn h VAL 109 Ca 0.38 -1.51 0.13 0.00 0.82 0.00 0.00 66.70 66.52 2hfn h VAL 109 Cb 0.14 2.27 -0.09 0.00 -1.52 0.00 0.00 31.29 32.09 2hfn h VAL 109 CO -0.16 0.42 0.60 0.11 0.02 0.00 0.00 177.57 178.56 2hfn h LYS 110 N -0.29 0.89 -0.54 1.57 1.57 -1.12 -1.09 116.57 117.56 2hfn h LYS 110 Ca -0.00 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 2hfn h LYS 110 Cb 0.76 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 2hfn h LYS 110 CO 0.03 0.59 0.13 1.15 -0.57 0.00 0.00 179.45 180.78 2hfn h THR 111 N 0.91 1.24 -0.81 -0.16 2.02 -1.11 -2.09 112.91 112.91 2hfn h THR 111 Ca 0.50 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 2hfn h THR 111 Cb 0.56 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 2hfn h THR 111 CO -0.29 0.32 0.45 -0.07 0.37 0.00 0.00 175.52 176.30 2hfn h LEU 112 N 0.76 1.01 -0.16 2.58 3.38 -0.96 -0.24 115.31 121.68 2hfn h LEU 112 Ca 0.17 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.08 2hfn h LEU 112 Cb 0.34 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2hfn h LEU 112 CO 0.00 0.81 0.02 0.58 0.09 0.00 0.00 178.44 179.94 2hfn h VAL 113 N 1.14 0.92 -0.53 1.22 2.07 -0.88 -2.78 116.25 117.40 2hfn h VAL 113 Ca 0.29 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.73 2hfn h VAL 113 Cb 0.02 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 2hfn h VAL 113 CO -0.05 0.02 0.12 0.25 0.02 0.00 0.00 177.57 177.93 2hfn h LEU 114 N 0.09 0.75 -1.17 2.57 5.85 -1.18 -2.81 115.31 119.42 2hfn h LEU 114 Ca 0.07 -0.13 0.20 0.00 0.84 0.00 0.00 57.88 58.86 2hfn h LEU 114 Cb 0.07 -0.20 -0.10 0.00 0.37 0.00 0.00 40.66 40.81 2hfn h LEU 114 CO -0.10 0.74 0.62 0.50 -0.34 0.00 0.00 178.44 179.86 2hfn h LYS 115 N 0.78 0.62 -0.24 1.25 3.64 -0.75 -2.95 116.57 118.92 2hfn h LYS 115 Ca 0.17 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2hfn h LYS 115 Cb 0.29 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2hfn h LYS 115 CO -0.00 0.41 0.00 0.66 -2.27 0.00 0.00 179.45 178.25 2hfn n TYR 116 N -4.69 0.31 -3.87 1.91 4.02 -1.08 -5.05 117.16 108.72 2hfn n TYR 116 Ca 0.23 -0.44 -0.08 0.00 -0.01 0.00 0.00 57.90 57.59 2hfn n TYR 116 Cb 0.63 -0.03 -0.01 0.00 -0.02 0.00 0.00 39.34 39.92 2hfn n TYR 116 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2hfn s SER 117 N -0.97 -0.08 0.51 7.72 1.04 -1.09 -4.85 113.70 115.98 2hfn s SER 117 Ca 0.17 -0.89 0.30 0.00 0.48 0.00 0.00 55.95 56.00 2hfn s SER 117 Cb 0.09 0.75 1.04 0.00 0.10 0.00 0.00 66.02 68.00 2hfn s SER 117 CO 0.12 -1.45 1.86 1.23 0.98 0.00 0.00 173.24 175.99 2hfn h GLY 118 N 2.03 0.00 -1.86 7.32 0.00 -1.87 -3.43 103.07 105.27 2hfn h GLY 118 Ca -0.25 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.63 2hfn h GLY 118 CO 0.32 0.00 -0.54 -1.36 0.00 0.00 0.00 176.54 174.96 2hfn s PHE 119 N -3.54 1.67 -2.32 5.60 0.08 -1.26 -5.04 117.98 113.17 2hfn s PHE 119 Ca 0.03 -1.39 0.21 0.00 0.12 0.00 0.00 56.93 55.91 2hfn s PHE 119 Cb 0.08 -0.91 0.73 0.00 -0.57 0.00 0.00 43.02 42.35 2hfn s PHE 119 CO 0.59 -0.51 1.54 -2.37 -0.10 0.00 0.00 175.22 174.37 2hfn n THR 120 N -0.66 0.22 -3.90 0.64 5.66 -1.26 -4.03 114.28 110.96 2hfn n THR 120 Ca 0.00 -0.38 -0.36 0.00 -3.05 0.00 0.00 64.05 60.27 2hfn n THR 120 Cb 0.65 0.45 -0.07 0.00 -1.55 0.00 0.00 70.33 69.80 2hfn n THR 120 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2hfn s THR 121 N -1.78 5.33 -0.21 1.09 -4.23 -1.26 -4.79 115.64 109.79 2hfn s THR 121 Ca 0.33 0.15 -0.29 0.00 -1.18 0.00 0.00 61.69 60.70 2hfn s THR 121 Cb 0.18 -3.35 -0.02 0.00 1.34 0.00 0.00 72.50 70.65 2hfn s THR 121 CO 0.27 0.56 1.48 -0.22 -0.54 0.00 0.00 174.62 176.18 2hfn s LEU 122 N -0.58 4.00 -0.38 4.79 2.96 -1.26 -4.95 118.68 123.25 2hfn s LEU 122 Ca 0.12 1.61 0.02 0.00 -0.22 0.00 0.00 54.13 55.66 2hfn s LEU 122 Cb -0.12 -3.54 0.12 0.00 0.50 0.00 0.00 46.19 43.15 2hfn s LEU 122 CO 0.02 -1.09 0.16 -0.13 -1.32 0.00 0.00 176.35 173.99 2hfn s ARG 123 N 4.27 1.18 0.41 1.98 0.52 -1.26 -4.78 118.95 121.27 2hfn s ARG 123 Ca 0.65 -1.71 0.11 0.00 -0.52 0.00 0.00 55.73 54.26 2hfn s ARG 123 Cb -0.23 -2.45 0.94 0.00 0.52 0.00 0.00 34.95 33.72 2hfn s ARG 123 CO 0.25 -1.06 1.97 -1.35 0.02 0.00 0.00 175.30 175.13 2hfn h PRO 124 N 7.34 0.50 -1.04 3.54 0.11 -1.93 -2.15 132.00 138.38 2hfn h PRO 124 Ca -0.07 -0.03 0.31 0.00 0.11 0.00 0.00 66.00 66.32 2hfn h PRO 124 Cb 0.97 -0.11 -0.13 0.00 0.11 0.00 0.00 31.00 31.83 2hfn h PRO 124 CO 0.50 0.33 0.62 0.77 -0.21 0.00 0.00 178.00 180.01 2hfn h SER 125 N 0.52 0.52 1.57 -2.05 0.02 -1.97 0.98 113.55 113.13 2hfn h SER 125 Ca 0.30 0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 61.38 2hfn h SER 125 Cb 0.47 0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 2hfn h SER 125 CO -0.09 -0.06 -0.12 0.00 -1.14 0.00 0.00 176.83 175.42 2hfn h ALA 126 N 1.77 0.94 -3.02 3.77 0.00 -1.83 -3.46 119.26 117.43 2hfn h ALA 126 Ca 0.71 -0.11 -0.60 0.00 0.00 0.00 0.00 54.91 54.90 2hfn h ALA 126 Cb 1.64 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 19.32 2hfn h ALA 126 CO -0.52 0.15 -0.37 -1.64 0.00 0.00 0.00 179.25 176.88 2hfn s MET 127 N -3.31 4.09 0.89 0.00 -1.94 0.34 -4.99 119.30 114.38 2hfn s MET 127 Ca 0.04 0.04 -0.12 0.00 -1.71 0.00 0.00 55.69 53.94 2hfn s MET 127 Cb 0.07 -3.37 0.13 0.00 2.01 0.00 0.00 34.83 33.67 2hfn s MET 127 CO 0.65 0.37 1.15 0.16 -0.01 0.00 0.00 175.02 177.35 2hfn s ASP 128 N 0.07 3.72 0.31 3.03 3.84 -1.26 -4.74 116.67 121.65 2hfn s ASP 128 Ca 0.15 0.91 0.01 0.00 -0.00 0.00 0.00 52.55 53.62 2hfn s ASP 128 Cb -0.13 -1.45 0.56 0.00 -1.38 0.00 0.00 42.92 40.52 2hfn s ASP 128 CO 0.04 -2.41 1.94 -0.65 -0.00 0.00 0.00 175.17 174.08 2hfn h PRO 129 N -1.40 0.96 -0.50 2.11 0.11 -1.98 -0.50 132.00 130.80 2hfn h PRO 129 Ca -0.49 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.45 2hfn h PRO 129 Cb 1.33 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 2hfn h PRO 129 CO 0.62 0.63 -0.14 1.49 -0.21 0.00 0.00 178.00 180.40 2hfn h GLU 130 N 0.99 0.95 -0.41 1.05 4.81 -1.98 -1.20 114.58 118.80 2hfn h GLU 130 Ca 0.35 -0.36 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 2hfn h GLU 130 Cb 0.13 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 2hfn h GLU 130 CO -0.12 1.02 0.06 1.96 -0.73 0.00 0.00 179.01 181.21 2hfn h GLN 131 N 0.85 0.68 -0.13 1.92 4.20 -1.77 -1.02 115.11 119.84 2hfn h GLN 131 Ca 0.13 -0.19 0.02 0.00 0.06 0.00 0.00 58.65 58.67 2hfn h GLN 131 Cb 0.69 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 2hfn h GLN 131 CO 0.05 0.73 0.03 0.00 -0.67 0.00 0.00 178.83 178.97 2hfn h LEU 133 N 0.09 0.69 -0.54 0.00 5.85 -1.13 -1.71 115.31 118.55 2hfn h LEU 133 Ca 0.06 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.45 2hfn h LEU 133 Cb 0.05 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 2hfn h LEU 133 CO -0.08 0.78 0.11 0.78 -0.34 0.00 0.00 178.44 179.70 2hfn h ASN 134 N 0.57 0.83 -0.12 1.25 2.35 -1.11 0.87 115.58 120.22 2hfn h ASN 134 Ca 0.13 -0.24 0.03 0.00 -0.55 0.00 0.00 56.30 55.67 2hfn h ASN 134 Cb 0.39 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 2hfn h ASN 134 CO 0.01 0.86 -0.09 0.15 -1.65 0.00 0.00 177.43 176.71 2hfn h PHE 135 N 0.76 -0.22 -0.57 1.19 3.04 -0.99 -0.74 116.94 119.41 2hfn h PHE 135 Ca 0.17 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.14 2hfn h PHE 135 Cb 0.37 0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.96 2hfn h PHE 135 CO 0.03 -0.14 0.37 -0.07 -2.02 0.00 0.00 178.31 176.48 2hfn h LEU 136 N -0.10 0.64 -0.60 0.59 3.38 -1.05 -0.42 115.31 117.76 2hfn h LEU 136 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2hfn h LEU 136 Cb 0.21 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2hfn h LEU 136 CO -0.18 0.46 0.38 -0.07 0.09 0.00 0.00 178.44 179.12 2hfn h LEU 137 N 0.76 0.71 -0.27 1.67 3.38 -0.70 -1.57 115.31 119.30 2hfn h LEU 137 Ca 0.21 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 2hfn h LEU 137 Cb -0.07 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 2hfn h LEU 137 CO -0.05 0.54 -0.28 0.44 0.09 0.00 0.00 178.44 179.17 2hfn h ASP 138 N 0.81 0.71 0.58 -0.43 3.32 -0.83 -2.75 116.42 117.83 2hfn h ASP 138 Ca 0.22 -0.48 -0.13 0.00 0.02 0.00 0.00 57.03 56.66 2hfn h ASP 138 Cb -0.05 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 2hfn h ASP 138 CO -0.04 1.04 -0.59 -0.29 -1.72 0.00 0.00 179.24 177.63 2hfn h ILE 139 N 0.39 1.43 -0.22 0.35 2.10 -1.05 -3.01 117.51 117.49 2hfn h ILE 139 Ca 0.04 -2.03 -0.10 0.00 1.08 0.00 0.00 64.86 63.84 2hfn h ILE 139 Cb 0.85 2.09 -0.01 0.00 -1.09 0.00 0.00 36.82 38.66 2hfn h ILE 139 CO 0.07 0.58 -0.31 0.00 -1.08 0.00 0.00 178.15 177.41 2hfn h ALA 140 N 1.40 1.06 0.00 0.18 0.00 -1.23 -2.51 119.26 118.16 2hfn h ALA 140 Ca -0.01 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 2hfn h ALA 140 Cb 1.05 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 2hfn h ALA 140 CO 0.08 0.58 -0.13 1.57 0.00 0.00 0.00 179.25 181.35 2hfn h LYS 141 N 0.38 0.00 0.21 0.00 2.10 -1.36 -3.22 116.57 114.68 2hfn h LYS 141 Ca 0.05 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.36 2hfn h LYS 141 Cb 0.74 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.09 2hfn h LYS 141 CO 0.06 0.13 -1.56 0.97 -2.00 0.00 0.00 179.45 177.04 2hfn h ILE 142 N 0.00 1.17 0.00 0.07 -0.00 -1.43 -3.52 117.51 113.80 2hfn h ILE 142 Ca -0.00 -2.68 0.00 0.00 -0.00 0.00 0.00 64.86 62.18 2hfn h ILE 142 Cb 0.89 2.91 0.00 0.00 -0.00 0.00 0.00 36.82 40.61 2hfn h ILE 142 CO 0.02 0.84 0.00 -1.22 -0.00 0.00 0.00 178.15 177.78