#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 4.37 0.10 1.04 2.96 -1.26 -0.17 118.68 125.71 2hfn s LEU 6 Ca 0.00 2.25 0.04 0.00 -0.22 0.00 0.00 54.13 56.20 2hfn s LEU 6 Cb 0.00 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 2hfn s LEU 6 CO 0.00 -0.60 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.02 2hfn s TYR 7 N 1.03 1.05 0.01 5.38 1.51 0.64 -1.03 117.35 125.95 2hfn s TYR 7 Ca 0.63 -0.67 0.08 0.00 -1.01 0.00 0.00 57.07 56.09 2hfn s TYR 7 Cb -0.35 -0.58 -0.02 0.00 -0.11 0.00 0.00 41.96 40.90 2hfn s TYR 7 CO 0.30 -0.01 -0.23 0.50 -1.11 0.00 0.00 175.55 175.00 2hfn s ARG 8 N -2.85 1.73 -0.06 -0.62 3.52 -0.40 -1.85 118.95 118.42 2hfn s ARG 8 Ca 0.06 -0.93 0.02 0.00 -0.13 0.00 0.00 55.73 54.75 2hfn s ARG 8 Cb -0.02 -1.78 0.02 0.00 -1.56 0.00 0.00 34.95 31.60 2hfn s ARG 8 CO -0.00 0.47 -0.10 -1.17 -0.81 0.00 0.00 175.30 173.69 2hfn s LEU 9 N -0.89 1.54 -0.09 -0.88 0.20 0.07 -1.27 118.68 117.37 2hfn s LEU 9 Ca 0.09 -0.26 0.02 0.00 0.69 0.00 0.00 54.13 54.68 2hfn s LEU 9 Cb -0.09 -0.73 -0.02 0.00 -0.43 0.00 0.00 46.19 44.92 2hfn s LEU 9 CO 0.01 0.00 -0.15 -0.63 -0.29 0.00 0.00 176.35 175.29 2hfn s ILE 10 N 0.78 2.90 0.14 6.68 1.01 -0.16 -0.28 121.20 132.27 2hfn s ILE 10 Ca -0.13 -0.75 -0.08 0.00 0.00 0.00 0.00 60.65 59.69 2hfn s ILE 10 Cb -0.15 -2.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 2hfn s ILE 10 CO 0.02 0.56 0.24 -0.72 0.00 0.00 0.00 174.94 175.04 2hfn s TYR 11 N -0.16 0.33 0.21 3.97 1.13 -0.61 0.11 117.35 122.32 2hfn s TYR 11 Ca -0.01 -0.72 0.08 0.00 -1.41 0.00 0.00 57.07 55.01 2hfn s TYR 11 Cb -0.13 -0.08 -0.05 0.00 -1.10 0.00 0.00 41.96 40.60 2hfn s TYR 11 CO 0.03 -0.65 -0.16 -1.54 -2.51 0.00 0.00 175.55 170.73 2hfn s SER 12 N -2.93 2.73 0.25 -0.18 1.04 -0.43 -1.31 113.70 112.87 2hfn s SER 12 Ca 0.13 -1.00 -0.17 0.00 0.48 0.00 0.00 55.95 55.39 2hfn s SER 12 Cb 0.04 -0.16 0.01 0.00 0.10 0.00 0.00 66.02 66.01 2hfn s SER 12 CO -0.04 -0.12 0.58 -0.94 0.98 0.00 0.00 173.24 173.70 2hfn s SER 13 N -3.25 -0.20 -0.33 7.02 1.04 -0.52 0.02 113.70 117.49 2hfn s SER 13 Ca 0.22 -0.69 -0.11 0.00 0.48 0.00 0.00 55.95 55.85 2hfn s SER 13 Cb -0.02 0.64 -0.01 0.00 0.10 0.00 0.00 66.02 66.73 2hfn s SER 13 CO 0.08 -1.20 0.19 -1.10 0.98 0.00 0.00 173.24 172.19 2hfn s GLN 14 N -3.94 3.38 0.55 4.02 -1.52 -0.09 -0.92 119.66 121.14 2hfn s GLN 14 Ca 0.15 -0.70 -0.20 0.00 -1.95 0.00 0.00 55.36 52.65 2hfn s GLN 14 Cb -0.03 -3.67 -0.05 0.00 -0.22 0.00 0.00 33.01 29.04 2hfn s GLN 14 CO 0.05 -0.44 1.21 0.20 -0.25 0.00 0.00 175.29 176.06 2hfn s GLY 15 N 1.66 2.76 0.56 3.09 0.00 0.84 0.09 107.32 116.31 2hfn s GLY 15 Ca 0.05 1.02 -0.21 0.00 0.00 0.00 0.00 44.72 45.58 2hfn s GLY 15 CO 0.08 1.44 1.36 -0.26 0.00 0.00 0.00 173.10 175.72 2hfn s ILE 16 N -1.56 2.03 0.33 0.90 -4.36 -0.22 -4.85 121.20 113.47 2hfn s ILE 16 Ca 0.73 0.02 0.08 0.00 -0.26 0.00 0.00 60.65 61.22 2hfn s ILE 16 Cb -0.31 -3.01 0.32 0.00 1.25 0.00 0.00 42.46 40.71 2hfn s ILE 16 CO 0.35 -0.00 1.83 1.55 0.24 0.00 0.00 174.94 178.90 2hfn h PRO 17 N 1.37 0.72 -0.65 0.37 0.13 -1.94 -2.27 132.00 129.73 2hfn h PRO 17 Ca -0.51 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2hfn h PRO 17 Cb 1.30 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2hfn h PRO 17 CO 0.57 0.47 0.00 0.27 -0.23 0.00 0.00 178.00 179.08 2hfn n ASN 18 N -4.63 3.79 -4.68 1.44 6.94 -1.26 -4.95 115.26 111.90 2hfn n ASN 18 Ca 0.20 -2.43 -0.45 0.00 -0.02 0.00 0.00 54.58 51.88 2hfn n ASN 18 Cb 0.52 -0.53 -0.04 0.00 -2.36 0.00 0.00 39.78 37.36 2hfn n ASN 18 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2hfn n LEU 19 N 0.63 3.42 -4.48 -4.53 -0.00 -0.86 -5.02 117.00 106.17 2hfn n LEU 19 Ca 0.19 1.04 -0.25 0.00 -0.00 0.00 0.00 56.01 56.98 2hfn n LEU 19 Cb 0.75 -1.45 -0.10 0.00 -0.00 0.00 0.00 43.42 42.62 2hfn n LEU 19 CO 0.19 -0.11 -0.48 -1.10 -0.00 0.00 0.00 177.39 175.89 2hfn s GLN 20 N 1.95 1.71 0.34 1.96 -1.52 -1.26 -5.03 119.66 117.81 2hfn s GLN 20 Ca 0.82 -1.61 0.14 0.00 -1.95 0.00 0.00 55.36 52.75 2hfn s GLN 20 Cb -0.63 -1.86 1.10 0.00 -0.22 0.00 0.00 33.01 31.40 2hfn s GLN 20 CO 0.40 0.37 1.61 -1.35 -0.25 0.00 0.00 175.29 176.06 2hfn h PRO 21 N 2.61 0.10 -0.96 2.91 0.11 -2.00 0.15 132.00 134.92 2hfn h PRO 21 Ca -0.43 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 65.82 2hfn h PRO 21 Cb 1.24 -0.02 -0.09 0.00 0.11 0.00 0.00 31.00 32.23 2hfn h PRO 21 CO 0.55 0.07 0.58 0.37 -0.21 0.00 0.00 178.00 179.36 2hfn h GLN 22 N 0.11 0.81 -0.66 1.05 -0.00 -2.00 -1.85 115.11 112.57 2hfn h GLN 22 Ca 0.74 -0.05 -0.07 0.00 -0.00 0.00 0.00 58.65 59.28 2hfn h GLN 22 Cb 1.79 -0.18 -0.03 0.00 0.00 0.00 0.00 27.48 29.06 2hfn h GLN 22 CO -0.74 0.54 0.16 -0.44 0.00 0.00 0.00 178.83 178.34 2hfn h ASP 23 N 0.84 1.00 -0.94 -0.69 3.32 -1.10 -0.89 116.42 117.95 2hfn h ASP 23 Ca 0.51 -0.21 0.03 0.00 0.02 0.00 0.00 57.03 57.38 2hfn h ASP 23 Cb 0.64 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.87 2hfn h ASP 23 CO -0.32 0.96 0.62 -0.07 -1.72 0.00 0.00 179.24 178.71 2hfn h LEU 24 N 1.00 1.03 -0.37 1.55 3.38 -1.16 -1.59 115.31 119.16 2hfn h LEU 24 Ca 0.21 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 2hfn h LEU 24 Cb 0.36 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2hfn h LEU 24 CO 0.00 0.71 -0.04 0.50 0.09 0.00 0.00 178.44 179.71 2hfn h LYS 25 N 1.20 0.68 -0.51 1.13 3.64 -0.93 -2.12 116.57 119.66 2hfn h LYS 25 Ca 0.37 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 2hfn h LYS 25 Cb -0.02 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 2hfn h LYS 25 CO -0.12 0.81 0.21 -0.44 -2.27 0.00 0.00 179.45 177.64 2hfn h ASP 26 N 0.48 0.70 -0.37 4.20 3.45 -1.00 -0.41 116.42 123.48 2hfn h ASP 26 Ca 0.10 -0.16 0.02 0.00 0.43 0.00 0.00 57.03 57.42 2hfn h ASP 26 Cb 0.53 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 39.09 2hfn h ASP 26 CO 0.03 0.67 0.21 0.40 -1.57 0.00 0.00 179.24 178.97 2hfn h ILE 27 N 0.69 1.02 -0.55 0.35 2.04 -1.29 -0.36 117.51 119.40 2hfn h ILE 27 Ca 0.17 -0.14 -0.08 0.00 1.00 0.00 0.00 64.86 65.81 2hfn h ILE 27 Cb 0.18 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 2hfn h ILE 27 CO -0.02 0.08 0.05 0.25 0.00 0.00 0.00 178.15 178.51 2hfn h LEU 28 N 0.42 0.91 -0.68 1.44 7.12 -1.12 -0.38 115.31 123.01 2hfn h LEU 28 Ca 0.15 -0.28 -0.09 0.00 0.13 0.00 0.00 57.88 57.79 2hfn h LEU 28 Cb 0.02 -0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 39.88 2hfn h LEU 28 CO -0.08 0.96 0.05 -0.33 -0.13 0.00 0.00 178.44 178.92 2hfn h GLU 29 N 0.82 1.08 -0.29 1.25 5.08 -0.93 -0.13 114.58 121.46 2hfn h GLU 29 Ca 0.16 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 2hfn h GLU 29 Cb 0.47 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2hfn h GLU 29 CO 0.02 1.02 0.03 0.77 -1.00 0.00 0.00 179.01 179.85 2hfn h SER 30 N 0.99 0.48 -0.31 1.42 0.02 -0.90 -2.03 113.55 113.22 2hfn h SER 30 Ca 0.19 -0.28 0.02 0.00 -0.84 0.00 0.00 61.79 60.88 2hfn h SER 30 Cb 0.50 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 2hfn h SER 30 CO 0.02 0.63 0.16 0.28 -1.14 0.00 0.00 176.83 176.79 2hfn h SER 31 N 0.30 0.24 0.54 3.07 0.02 -0.94 -1.00 113.55 115.79 2hfn h SER 31 Ca 0.09 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 2hfn h SER 31 Cb 0.37 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 2hfn h SER 31 CO 0.01 0.18 -0.28 1.56 -1.14 0.00 0.00 176.83 177.16 2hfn h GLN 32 N 0.33 0.00 -0.13 3.45 4.20 -0.98 -0.14 115.11 121.85 2hfn h GLN 32 Ca 0.13 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.75 2hfn h GLN 32 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2hfn h GLN 32 CO -0.08 0.28 -0.25 -0.09 -0.67 0.00 0.00 178.83 178.01 2hfn h ARG 33 N 0.00 0.40 0.10 1.46 2.43 -0.73 -3.40 114.38 114.63 2hfn h ARG 33 Ca -0.00 -0.26 -0.36 0.00 -0.81 0.00 0.00 59.98 58.55 2hfn h ARG 33 Cb 0.62 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 2hfn h ARG 33 CO 0.04 0.86 -2.01 0.09 -1.51 0.00 0.00 179.97 177.43 2hfn n ASN 34 N -4.45 1.92 -0.17 -3.80 3.02 -0.44 -4.61 115.26 106.73 2hfn n ASN 34 Ca -0.07 0.20 -0.07 0.00 -0.03 0.00 0.00 54.58 54.61 2hfn n ASN 34 Cb 0.44 -0.69 0.03 0.00 -0.61 0.00 0.00 39.78 38.95 2hfn n ASN 34 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2hfn h ASN 35 N 0.06 0.57 -0.78 6.41 2.35 -1.23 -3.01 115.58 119.95 2hfn h ASN 35 Ca -0.42 -0.01 0.05 0.00 -0.55 0.00 0.00 56.30 55.37 2hfn h ASN 35 Cb 2.02 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 40.20 2hfn h ASN 35 CO 0.07 0.41 0.48 -0.65 -1.65 0.00 0.00 177.43 176.08 2hfn h PRO 36 N 0.67 0.87 0.00 0.81 0.11 -1.78 0.66 132.00 133.34 2hfn h PRO 36 Ca 0.19 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.21 2hfn h PRO 36 Cb -0.06 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 30.85 2hfn h PRO 36 CO -0.05 0.57 -0.19 0.00 -0.21 0.00 0.00 178.00 178.12 2hfn h ALA 37 N 1.36 1.41 -0.19 -0.75 0.00 -1.80 -2.30 119.26 116.99 2hfn h ALA 37 Ca 0.33 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2hfn h ALA 37 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2hfn h ALA 37 CO -0.15 0.24 0.00 0.09 0.00 0.00 0.00 179.25 179.43 2hfn n ASN 38 N -3.91 3.14 -1.65 0.00 3.02 -0.93 -4.97 115.26 109.95 2hfn n ASN 38 Ca -0.02 -1.98 -0.14 0.00 -0.03 0.00 0.00 54.58 52.41 2hfn n ASN 38 Cb 0.28 -0.11 -0.00 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 1.41 -0.20 3.78 7.41 0.00 -0.46 -4.77 105.19 112.36 2hfn n GLY 39 Ca 0.17 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.73 5.22 0.24 -0.61 -1.09 0.10 -4.40 121.20 117.94 2hfn s ILE 40 Ca 0.02 0.65 0.06 0.00 -2.23 0.00 0.00 60.65 59.15 2hfn s ILE 40 Cb -0.01 -3.65 -0.05 0.00 -1.58 0.00 0.00 42.46 37.17 2hfn s ILE 40 CO 0.02 0.47 -0.07 0.42 -1.23 0.00 0.00 174.94 174.56 2hfn s THR 41 N -0.22 1.53 -5.00 2.92 -4.23 -0.69 -4.40 115.64 105.54 2hfn s THR 41 Ca 0.20 -2.13 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 2hfn s THR 41 Cb -0.14 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.41 2hfn s THR 41 CO 0.08 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 2hfn n GLY 42 N -0.48 -0.43 3.43 3.99 0.00 -0.87 -0.91 105.19 109.92 2hfn n GLY 42 Ca -0.06 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.05 -0.10 0.99 2.96 -0.94 -3.94 118.68 117.60 2hfn s LEU 43 Ca 0.00 0.87 0.02 0.00 -0.22 0.00 0.00 54.13 54.80 2hfn s LEU 43 Cb 0.00 1.91 0.01 0.00 0.50 0.00 0.00 46.19 48.61 2hfn s LEU 43 CO 0.00 -0.31 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.35 2hfn s LEU 44 N -0.25 1.73 0.03 -0.68 2.96 -0.18 -1.32 118.68 120.98 2hfn s LEU 44 Ca -0.04 -0.41 0.05 0.00 -0.22 0.00 0.00 54.13 53.51 2hfn s LEU 44 Cb -0.03 -1.05 -0.03 0.00 0.50 0.00 0.00 46.19 45.57 2hfn s LEU 44 CO 0.03 0.03 -0.12 0.00 -1.32 0.00 0.00 176.35 174.97 2hfn s TYR 46 N -0.98 2.17 -0.44 0.00 5.04 -0.34 -1.23 117.35 121.57 2hfn s TYR 46 Ca 0.16 -1.38 0.03 0.00 -2.44 0.00 0.00 57.07 53.45 2hfn s TYR 46 Cb -0.11 -1.54 0.12 0.00 0.35 0.00 0.00 41.96 40.78 2hfn s TYR 46 CO 0.07 -0.69 0.19 0.45 -1.34 0.00 0.00 175.55 174.23 2hfn s SER 47 N 1.48 4.22 -0.28 4.32 0.15 0.53 -0.96 113.70 123.14 2hfn s SER 47 Ca 0.01 -2.60 -0.43 0.00 0.70 0.00 0.00 55.95 53.63 2hfn s SER 47 Cb -0.15 -1.41 -0.19 0.00 -1.71 0.00 0.00 66.02 62.56 2hfn s SER 47 CO -0.09 -0.29 1.33 0.29 1.20 0.00 0.00 173.24 175.69 2hfn n LYS 48 N 3.63 0.00 -0.54 5.44 4.76 -1.26 0.62 118.16 130.81 2hfn n LYS 48 Ca 0.05 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.58 2hfn n LYS 48 Cb 0.36 -1.45 0.33 0.00 -1.84 0.00 0.00 35.03 32.43 2hfn n LYS 48 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2hfn n PRO 49 N 2.87 3.39 -3.85 1.97 -0.04 -1.26 -5.07 135.00 133.01 2hfn n PRO 49 Ca 0.26 -2.61 -0.34 0.00 -0.04 0.00 0.00 63.50 60.77 2hfn n PRO 49 Cb -0.00 -1.80 -0.05 0.00 -0.04 0.00 0.00 33.50 31.60 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 -1.72 3.91 -0.01 0.55 0.00 0.20 -0.11 121.76 124.58 2hfn s ALA 50 Ca 0.47 -0.68 -0.00 0.00 0.00 0.00 0.00 51.96 51.75 2hfn s ALA 50 Cb 0.29 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 2hfn s ALA 50 CO 0.24 0.70 0.06 -0.06 0.00 0.00 0.00 175.76 176.70 2hfn s PHE 51 N -1.29 3.24 -0.09 0.00 0.40 -0.10 -0.35 117.98 119.80 2hfn s PHE 51 Ca 0.26 0.19 -0.00 0.00 -0.60 0.00 0.00 56.93 56.78 2hfn s PHE 51 Cb -0.13 -1.73 0.02 0.00 0.51 0.00 0.00 43.02 41.70 2hfn s PHE 51 CO 0.16 0.53 -0.05 -1.17 0.70 0.00 0.00 175.22 175.39 2hfn s LEU 52 N -1.63 1.06 0.01 -0.37 2.96 -0.37 -1.44 118.68 118.90 2hfn s LEU 52 Ca 0.21 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.95 2hfn s LEU 52 Cb -0.12 -0.65 -0.01 0.00 0.50 0.00 0.00 46.19 45.90 2hfn s LEU 52 CO 0.12 -0.12 -0.10 -1.58 -1.32 0.00 0.00 176.35 173.35 2hfn s GLN 53 N 1.58 0.74 -0.09 1.98 0.74 -0.43 -0.74 119.66 123.44 2hfn s GLN 53 Ca 0.01 -0.50 0.01 0.00 0.05 0.00 0.00 55.36 54.93 2hfn s GLN 53 Cb -0.13 -0.70 -0.02 0.00 1.10 0.00 0.00 33.01 33.26 2hfn s GLN 53 CO -0.05 0.18 -0.12 0.54 -0.55 0.00 0.00 175.29 175.29 2hfn s VAL 54 N -0.56 3.16 -0.03 1.34 0.11 -0.43 -1.58 120.40 122.41 2hfn s VAL 54 Ca 0.01 -0.65 0.06 0.00 -2.93 0.00 0.00 61.98 58.46 2hfn s VAL 54 Cb -0.06 -2.29 -0.01 0.00 -1.53 0.00 0.00 36.38 32.49 2hfn s VAL 54 CO 0.00 0.56 -0.21 -0.76 -3.33 0.00 0.00 175.10 171.36 2hfn s LEU 55 N -0.17 2.01 0.03 2.54 1.43 0.61 -2.21 118.68 122.92 2hfn s LEU 55 Ca 0.00 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 52.74 2hfn s LEU 55 Cb -0.13 -1.13 -0.02 0.00 0.03 0.00 0.00 46.19 44.94 2hfn s LEU 55 CO 0.03 0.23 -0.13 -1.61 0.23 0.00 0.00 176.35 175.10 2hfn s GLU 56 N -0.26 0.86 0.00 1.70 2.02 -0.08 -0.75 118.70 122.18 2hfn s GLU 56 Ca 0.02 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 54.31 2hfn s GLU 56 Cb -0.10 -0.84 0.00 0.00 0.10 0.00 0.00 34.13 33.29 2hfn s GLU 56 CO 0.01 0.21 0.00 0.41 0.02 0.00 0.00 175.26 175.91 2hfn n GLY 57 N 1.98 -1.36 3.76 -1.39 0.00 -0.77 -1.70 105.19 105.71 2hfn n GLY 57 Ca -0.18 -1.21 -0.39 0.00 0.00 0.00 0.00 46.02 44.24 2hfn n GLY 57 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hfn s GLU 58 N -1.91 3.76 0.23 1.61 2.12 -1.26 -0.26 118.70 122.98 2hfn s GLU 58 Ca 0.00 2.22 -0.09 0.00 0.36 0.00 0.00 54.97 57.46 2hfn s GLU 58 Cb 0.00 -2.63 0.36 0.00 0.26 0.00 0.00 34.13 32.11 2hfn s GLU 58 CO 0.00 -0.69 1.66 0.00 -0.54 0.00 0.00 175.26 175.69 2hfn h GLU 60 N 0.13 0.81 -0.31 0.00 4.81 -1.91 -0.97 114.58 117.15 2hfn h GLU 60 Ca 0.36 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.42 2hfn h GLU 60 Cb 0.61 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2hfn h GLU 60 CO -0.57 0.61 -0.14 1.96 -0.73 0.00 0.00 179.01 180.14 2hfn h GLN 61 N 0.79 0.64 -0.66 1.92 1.08 -1.60 0.54 115.11 117.82 2hfn h GLN 61 Ca 0.21 -0.27 0.04 0.00 -1.45 0.00 0.00 58.65 57.17 2hfn h GLN 61 Cb 0.03 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.39 2hfn h GLN 61 CO -0.03 0.86 0.39 0.28 -0.95 0.00 0.00 178.83 179.38 2hfn h VAL 62 N 0.39 1.05 -0.26 -0.54 2.07 -0.72 0.35 116.25 118.59 2hfn h VAL 62 Ca 0.07 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.25 2hfn h VAL 62 Cb 0.66 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2hfn h VAL 62 CO 0.04 0.14 -0.14 0.78 0.02 0.00 0.00 177.57 178.41 2hfn h ASN 63 N 0.76 0.58 -0.31 0.57 4.21 -1.09 0.12 115.58 120.42 2hfn h ASN 63 Ca 0.27 -0.42 0.05 0.00 1.21 0.00 0.00 56.30 57.42 2hfn h ASN 63 Cb 0.07 -0.16 -0.05 0.00 -1.12 0.00 0.00 38.32 37.06 2hfn h ASN 63 CO -0.13 0.87 0.00 -0.08 -1.29 0.00 0.00 177.43 176.81 2hfn h GLU 64 N 0.29 0.09 0.14 0.81 4.22 -0.68 -1.32 114.58 118.13 2hfn h GLU 64 Ca 0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.48 2hfn h GLU 64 Cb 0.66 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2hfn h GLU 64 CO 0.04 0.06 -0.07 1.15 -2.18 0.00 0.00 179.01 178.02 2hfn h THR 65 N 0.09 0.98 -0.44 0.32 2.02 -0.80 -1.95 112.91 113.13 2hfn h THR 65 Ca 0.15 -0.48 0.09 0.00 0.77 0.00 0.00 66.41 66.94 2hfn h THR 65 Cb 0.20 1.28 -0.08 0.00 -1.74 0.00 0.00 68.15 67.81 2hfn h THR 65 CO -0.25 0.11 -0.04 0.22 0.37 0.00 0.00 175.52 175.93 2hfn h TYR 66 N -0.41 -0.10 0.00 3.16 5.03 -0.68 -0.36 116.97 123.61 2hfn h TYR 66 Ca -0.02 0.04 -0.08 0.00 2.58 0.00 0.00 58.73 61.24 2hfn h TYR 66 Cb 0.33 0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.71 2hfn h TYR 66 CO 0.00 -0.13 -0.39 0.45 -1.32 0.00 0.00 178.16 176.77 2hfn h HIS 67 N 0.07 0.00 -0.36 -3.82 3.86 -1.12 -0.26 115.15 113.53 2hfn h HIS 67 Ca 0.22 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.33 2hfn h HIS 67 Cb 0.33 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 2hfn h HIS 67 CO -0.32 0.39 -0.17 -0.09 0.86 0.00 0.00 177.93 178.60 2hfn h ARG 68 N 0.00 0.74 -0.47 2.45 2.43 -0.96 -3.19 114.38 115.38 2hfn h ARG 68 Ca -0.00 -0.33 -0.00 0.00 -0.81 0.00 0.00 59.98 58.84 2hfn h ARG 68 Cb 0.90 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.41 2hfn h ARG 68 CO 0.05 0.94 0.28 0.82 -1.51 0.00 0.00 179.97 180.55 2hfn h ILE 69 N 0.53 1.15 0.00 1.20 2.04 -0.30 -2.41 117.51 119.72 2hfn h ILE 69 Ca 0.08 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 2hfn h ILE 69 Cb 0.71 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2hfn h ILE 69 CO 0.05 0.15 -0.00 -0.37 0.00 0.00 0.00 178.15 177.99 2hfn h VAL 70 N 0.63 0.63 0.00 1.67 -1.51 -1.10 -1.37 116.25 115.19 2hfn h VAL 70 Ca 0.17 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.63 2hfn h VAL 70 Cb 0.01 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.17 2hfn h VAL 70 CO -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.31 2hfn n GLN 71 N -3.99 0.08 -1.84 5.19 6.02 -0.91 -4.86 117.38 117.07 2hfn n GLN 71 Ca -0.03 0.06 -0.42 0.00 -0.01 0.00 0.00 57.00 56.60 2hfn n GLN 71 Cb 0.08 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.81 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 -2.91 6.51 0.00 1.08 2.15 -0.52 -4.89 116.67 118.09 2hfn s ASP 72 Ca 0.15 2.69 0.20 0.00 0.43 0.00 0.00 52.55 56.01 2hfn s ASP 72 Cb 0.17 -2.59 1.07 0.00 -0.30 0.00 0.00 42.92 41.27 2hfn s ASP 72 CO 0.45 -0.90 1.60 -1.84 -0.17 0.00 0.00 175.17 174.30 2hfn n GLU 73 N 4.51 0.42 0.00 4.34 0.28 -1.26 -3.22 120.64 125.71 2hfn n GLU 73 Ca 0.15 0.06 0.13 0.00 -0.16 0.00 0.00 57.16 57.35 2hfn n GLU 73 Cb 0.38 -1.50 0.40 0.00 1.43 0.00 0.00 31.44 32.15 2hfn n GLU 73 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2hfn n ARG 74 N -1.17 1.48 -3.72 3.44 1.74 -1.26 -4.84 116.66 112.33 2hfn n ARG 74 Ca 0.12 -0.94 -0.10 0.00 -0.77 0.00 0.00 57.85 56.15 2hfn n ARG 74 Cb 0.12 -1.48 -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 -2.17 -0.08 0.26 -1.55 -3.43 -1.20 -1.06 115.29 106.06 2hfn s HIS 75 Ca 0.32 -0.25 0.01 0.00 -0.80 0.00 0.00 55.06 54.33 2hfn s HIS 75 Cb 0.20 0.25 -0.03 0.00 -1.43 0.00 0.00 32.58 31.57 2hfn s HIS 75 CO 0.40 -0.77 0.24 -3.38 -2.00 0.00 0.00 174.74 169.23 2hfn s HIS 76 N -3.85 1.29 -1.21 0.38 -3.43 0.11 -4.82 115.29 103.76 2hfn s HIS 76 Ca 0.07 -1.41 -0.02 0.00 -0.80 0.00 0.00 55.06 52.89 2hfn s HIS 76 Cb 0.01 -0.50 -0.01 0.00 -1.43 0.00 0.00 32.58 30.65 2hfn s HIS 76 CO -0.07 -0.80 0.87 0.43 -2.00 0.00 0.00 174.74 173.17 2hfn n SER 77 N -0.83 -2.66 -4.77 7.38 7.64 -1.26 -0.91 113.62 118.21 2hfn n SER 77 Ca 0.03 -0.73 -0.40 0.00 1.01 0.00 0.00 58.87 58.79 2hfn n SER 77 Cb 0.64 -4.66 -0.01 0.00 -1.01 0.00 0.00 64.21 59.16 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 -5.46 4.15 -0.29 1.43 0.04 -1.26 -4.48 135.00 129.12 2hfn s PRO 78 Ca 0.10 2.17 0.02 0.00 0.04 0.00 0.00 61.00 63.33 2hfn s PRO 78 Cb -0.02 -2.89 0.08 0.00 0.04 0.00 0.00 34.50 31.71 2hfn s PRO 78 CO 0.77 -0.35 -0.00 -0.65 0.04 0.00 0.00 177.00 176.81 2hfn s GLN 79 N -2.04 1.56 0.05 4.56 -1.52 0.10 -4.98 119.66 117.39 2hfn s GLN 79 Ca 0.53 -1.42 -0.31 0.00 -1.95 0.00 0.00 55.36 52.21 2hfn s GLN 79 Cb -0.38 -2.81 -0.07 0.00 -0.22 0.00 0.00 33.01 29.52 2hfn s GLN 79 CO 0.50 -0.78 1.56 0.42 -0.25 0.00 0.00 175.29 176.74 2hfn s ILE 80 N 1.17 3.24 -0.19 1.08 1.01 -1.26 -1.32 121.20 124.93 2hfn s ILE 80 Ca 0.02 0.69 -0.04 0.00 0.00 0.00 0.00 60.65 61.32 2hfn s ILE 80 Cb -0.19 -3.44 -0.21 0.00 0.01 0.00 0.00 42.46 38.62 2hfn s ILE 80 CO -0.09 0.00 0.07 -0.38 0.00 0.00 0.00 174.94 174.54 2hfn n ILE 81 N 4.64 1.63 -3.68 2.92 5.41 0.12 -4.95 119.36 125.44 2hfn n ILE 81 Ca 0.15 -0.57 -0.14 0.00 1.00 0.00 0.00 62.75 63.18 2hfn n ILE 81 Cb 0.41 -1.62 -0.08 0.00 -0.71 0.00 0.00 39.64 37.64 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 -2.53 0.70 -0.06 0.38 2.12 -0.96 -4.73 118.70 113.62 2hfn s GLU 82 Ca -0.29 0.36 -0.02 0.00 0.36 0.00 0.00 54.97 55.37 2hfn s GLU 82 Cb 0.08 0.33 0.04 0.00 0.26 0.00 0.00 34.13 34.84 2hfn s GLU 82 CO 0.67 -0.15 0.12 0.00 -0.54 0.00 0.00 175.26 175.36 2hfn s MET 84 N 1.84 1.13 0.62 0.00 0.23 -0.39 -5.02 119.30 117.71 2hfn s MET 84 Ca -0.01 -0.22 -0.19 0.00 -1.03 0.00 0.00 55.69 54.25 2hfn s MET 84 Cb -0.12 0.52 -0.02 0.00 -1.53 0.00 0.00 34.83 33.68 2hfn s MET 84 CO -0.05 -0.45 1.28 -2.14 -2.03 0.00 0.00 175.02 171.63 2hfn s PRO 85 N -2.83 2.74 0.12 3.16 0.02 -1.26 -1.28 135.00 135.67 2hfn s PRO 85 Ca -0.02 2.03 0.05 0.00 0.02 0.00 0.00 61.00 63.08 2hfn s PRO 85 Cb -0.01 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.55 2hfn s PRO 85 CO -0.05 -1.44 -0.12 0.96 -0.33 0.00 0.00 177.00 176.01 2hfn s ILE 86 N -1.43 1.15 0.12 2.83 -4.36 -0.20 -4.79 121.20 114.52 2hfn s ILE 86 Ca 0.80 -1.73 -0.03 0.00 -0.26 0.00 0.00 60.65 59.43 2hfn s ILE 86 Cb -0.36 -1.50 -0.21 0.00 1.25 0.00 0.00 42.46 41.64 2hfn s ILE 86 CO 0.39 -0.52 1.27 0.03 0.24 0.00 0.00 174.94 176.35 2hfn h ARG 87 N 3.44 0.34 -3.10 0.37 2.47 -1.97 -3.43 114.38 112.50 2hfn h ARG 87 Ca -0.38 -0.41 -0.03 0.00 -1.26 0.00 0.00 59.98 57.89 2hfn h ARG 87 Cb 1.19 0.13 -0.13 0.00 -1.65 0.00 0.00 29.97 29.52 2hfn h ARG 87 CO 0.53 1.11 0.11 -0.98 0.56 0.00 0.00 179.97 181.31 2hfn s ARG 88 N -3.09 1.20 0.61 0.04 1.70 -1.26 -5.09 118.95 113.06 2hfn s ARG 88 Ca -0.05 -0.53 -0.13 0.00 -0.47 0.00 0.00 55.73 54.55 2hfn s ARG 88 Cb 0.09 0.55 -0.04 0.00 -0.57 0.00 0.00 34.95 34.97 2hfn s ARG 88 CO 0.87 -0.51 1.03 1.03 -1.08 0.00 0.00 175.30 176.64 2hfn s ARG 89 N -3.69 3.49 -0.01 3.89 0.52 -1.26 -4.99 118.95 116.91 2hfn s ARG 89 Ca 0.01 0.91 0.05 0.00 -0.52 0.00 0.00 55.73 56.18 2hfn s ARG 89 Cb -0.00 -2.07 -0.08 0.00 0.52 0.00 0.00 34.95 33.33 2hfn s ARG 89 CO -0.12 -0.65 0.13 0.09 0.02 0.00 0.00 175.30 174.77 2hfn n ASN 90 N -2.46 3.18 -0.16 0.23 5.03 -1.26 -4.77 115.26 115.05 2hfn n ASN 90 Ca 0.07 -0.11 0.09 0.00 0.87 0.00 0.00 54.58 55.50 2hfn n ASN 90 Cb 0.54 1.20 0.15 0.00 -1.02 0.00 0.00 39.78 40.64 2hfn n ASN 90 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 2hfn n PHE 91 N -1.58 0.00 0.20 3.10 3.01 -1.26 -4.86 117.46 116.07 2hfn n PHE 91 Ca -0.01 -1.04 0.08 0.00 1.01 0.00 0.00 57.45 57.49 2hfn n PHE 91 Cb 0.13 -0.16 0.42 0.00 -0.01 0.00 0.00 39.48 39.85 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 0.14 0.00 0.00 -1.08 9.09 -1.93 -2.31 114.58 118.48 2hfn h GLU 92 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2hfn h GLU 92 Cb 1.01 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.11 2hfn h GLU 92 CO 0.00 0.00 -0.51 -0.39 0.05 0.00 0.00 179.01 178.16 2hfn h VAL 93 N 0.00 0.00 -3.18 -1.06 -1.51 -1.96 -3.44 116.25 105.09 2hfn h VAL 93 Ca 0.00 -0.66 -0.67 0.00 -1.23 0.00 0.00 66.70 64.14 2hfn h VAL 93 Cb 0.70 1.36 -0.33 0.00 -2.13 0.00 0.00 31.29 30.89 2hfn h VAL 93 CO 0.00 0.00 -0.83 0.26 -1.23 0.00 0.00 177.57 175.77 2hfn s TRP 94 N -3.20 2.78 0.14 5.19 0.51 -0.87 -4.69 118.94 118.81 2hfn s TRP 94 Ca 0.06 -1.37 -0.17 0.00 -2.12 0.00 0.00 56.10 52.50 2hfn s TRP 94 Cb 0.11 -1.92 -0.01 0.00 -0.81 0.00 0.00 33.47 30.84 2hfn s TRP 94 CO 0.71 -0.67 1.80 0.66 -0.51 0.00 0.00 176.95 178.94 2hfn h SER 95 N 7.72 0.39 -3.38 2.95 4.64 -1.85 -2.32 113.55 121.70 2hfn h SER 95 Ca -0.40 -0.02 0.02 0.00 -0.47 0.00 0.00 61.79 60.92 2hfn h SER 95 Cb 1.16 -0.10 -0.23 0.00 -0.31 0.00 0.00 62.40 62.92 2hfn h SER 95 CO 0.60 0.29 0.23 -0.32 -0.87 0.00 0.00 176.83 176.77 2hfn s MET 96 N -6.15 0.66 0.03 4.77 -2.45 -1.26 -3.89 119.30 111.01 2hfn s MET 96 Ca -0.13 0.89 0.06 0.00 -1.25 0.00 0.00 55.69 55.26 2hfn s MET 96 Cb 0.10 0.27 -0.02 0.00 1.25 0.00 0.00 34.83 36.43 2hfn s MET 96 CO 0.71 -0.10 -0.17 -1.14 1.05 0.00 0.00 175.02 175.38 2hfn s GLN 97 N 0.71 1.18 -0.03 4.11 0.74 -1.25 -4.82 119.66 120.30 2hfn s GLN 97 Ca -0.02 -0.79 0.06 0.00 0.05 0.00 0.00 55.36 54.66 2hfn s GLN 97 Cb -0.05 -1.22 -0.02 0.00 1.10 0.00 0.00 33.01 32.82 2hfn s GLN 97 CO -0.07 0.31 -0.21 0.00 -0.55 0.00 0.00 175.29 174.77 2hfn s ALA 98 N -0.73 2.40 -0.05 1.58 0.00 -1.26 -1.01 121.76 122.69 2hfn s ALA 98 Ca 0.05 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 2hfn s ALA 98 Cb -0.08 -0.73 0.03 0.00 0.00 0.00 0.00 23.12 22.34 2hfn s ALA 98 CO 0.01 0.54 0.02 0.42 0.00 0.00 0.00 175.76 176.75 2hfn s ILE 99 N -0.68 0.15 -0.06 0.00 1.01 0.06 -4.99 121.20 116.70 2hfn s ILE 99 Ca 0.11 0.21 -0.24 0.00 0.00 0.00 0.00 60.65 60.73 2hfn s ILE 99 Cb -0.10 -0.33 -0.04 0.00 0.01 0.00 0.00 42.46 42.01 2hfn s ILE 99 CO 0.00 0.20 0.73 0.42 0.00 0.00 0.00 174.94 176.29 2hfn s THR 100 N 1.73 5.02 -0.20 2.92 -4.23 -1.26 -1.19 115.64 118.43 2hfn s THR 100 Ca 0.00 1.52 0.01 0.00 -1.18 0.00 0.00 61.69 62.04 2hfn s THR 100 Cb -0.13 -4.07 0.04 0.00 1.34 0.00 0.00 72.50 69.68 2hfn s THR 100 CO -0.03 0.24 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.49 2hfn s VAL 101 N 0.80 1.68 0.00 2.29 1.01 -0.14 -4.92 120.40 121.12 2hfn s VAL 101 Ca 0.39 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2hfn s VAL 101 Cb -0.18 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.46 2hfn s VAL 101 CO 0.19 0.18 0.00 -0.46 0.00 0.00 0.00 175.10 175.02 2hfn n ASN 102 N 4.67 0.00 0.11 3.32 2.04 -1.26 -4.11 115.26 120.03 2hfn n ASN 102 Ca -0.15 -0.15 0.13 0.00 -0.44 0.00 0.00 54.58 53.97 2hfn n ASN 102 Cb 0.47 0.00 0.40 0.00 -2.53 0.00 0.00 39.78 38.11 2hfn n ASN 102 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 2hfn n ASP 103 N -0.26 0.85 -0.15 0.53 5.75 -1.26 -2.69 116.55 119.31 2hfn n ASP 103 Ca 0.00 0.58 0.13 0.00 -0.01 0.00 0.00 54.79 55.49 2hfn n ASP 103 Cb 0.00 -0.81 0.41 0.00 -1.03 0.00 0.00 41.12 39.69 2hfn n ASP 103 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2hfn n LEU 104 N -2.30 0.75 -4.71 -2.12 4.77 -1.26 -4.96 117.00 107.18 2hfn n LEU 104 Ca 0.05 -0.11 -0.33 0.00 -0.03 0.00 0.00 56.01 55.59 2hfn n LEU 104 Cb 0.43 -0.18 0.12 0.00 -2.33 0.00 0.00 43.42 41.46 2hfn n LEU 104 CO 0.30 0.15 0.74 -0.44 -1.33 0.00 0.00 177.39 176.81 2hfn s SER 105 N -2.62 3.72 0.55 -1.43 0.01 -1.10 -4.96 113.70 107.86 2hfn s SER 105 Ca 0.22 2.23 -0.20 0.00 1.31 0.00 0.00 55.95 59.51 2hfn s SER 105 Cb 0.19 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.78 2hfn s SER 105 CO 0.55 -2.57 0.95 0.41 0.41 0.00 0.00 173.24 172.98 2hfn n THR 106 N -3.41 3.20 -0.28 1.44 -1.04 -1.26 -4.76 114.28 108.17 2hfn n THR 106 Ca 0.12 -0.50 0.05 0.00 -2.04 0.00 0.00 64.05 61.69 2hfn n THR 106 Cb 0.51 -1.13 0.28 0.00 -1.82 0.00 0.00 70.33 68.17 2hfn n THR 106 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2hfn h GLU 107 N 0.80 0.91 -0.81 -2.82 3.07 -1.98 -0.63 114.58 113.10 2hfn h GLU 107 Ca -0.47 -0.05 0.06 0.00 -0.50 0.00 0.00 59.36 58.39 2hfn h GLU 107 Cb 1.36 -0.20 -0.06 0.00 -0.84 0.00 0.00 28.75 29.00 2hfn h GLU 107 CO 0.52 0.60 0.50 0.37 -1.40 0.00 0.00 179.01 179.60 2hfn h GLN 108 N 0.93 0.89 -0.21 2.33 4.15 -1.99 0.26 115.11 121.47 2hfn h GLN 108 Ca 0.38 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.66 2hfn h GLN 108 Cb 0.28 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 2hfn h GLN 108 CO -0.15 0.59 -0.20 0.28 -1.93 0.00 0.00 178.83 177.41 2hfn h VAL 109 N 0.91 1.32 -0.75 2.39 2.07 -1.70 -2.20 116.25 118.31 2hfn h VAL 109 Ca 0.35 -1.36 0.08 0.00 0.82 0.00 0.00 66.70 66.59 2hfn h VAL 109 Cb 0.16 1.73 -0.07 0.00 -1.52 0.00 0.00 31.29 31.59 2hfn h VAL 109 CO -0.17 0.42 0.42 0.11 0.02 0.00 0.00 177.57 178.37 2hfn h LYS 110 N 0.20 0.70 -0.32 1.57 1.57 -0.88 0.07 116.57 119.49 2hfn h LYS 110 Ca 0.03 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 2hfn h LYS 110 Cb 0.75 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 2hfn h LYS 110 CO 0.05 0.46 -0.11 1.15 -0.57 0.00 0.00 179.45 180.44 2hfn h THR 111 N 0.72 1.23 -0.38 -0.16 2.02 -0.91 -1.50 112.91 113.93 2hfn h THR 111 Ca 0.35 -1.02 -0.06 0.00 0.77 0.00 0.00 66.41 66.46 2hfn h THR 111 Cb 0.30 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 2hfn h THR 111 CO -0.23 0.34 0.00 0.25 0.37 0.00 0.00 175.52 176.25 2hfn h LEU 112 N 0.50 0.66 -0.50 2.58 7.12 -0.61 -1.61 115.31 123.46 2hfn h LEU 112 Ca 0.09 -0.31 0.04 0.00 0.13 0.00 0.00 57.88 57.83 2hfn h LEU 112 Cb 0.49 -0.18 -0.04 0.00 -0.53 0.00 0.00 40.66 40.40 2hfn h LEU 112 CO 0.03 0.81 0.27 0.58 -0.13 0.00 0.00 178.44 180.00 2hfn h VAL 113 N 0.50 1.00 -0.34 1.05 2.07 -0.72 -2.36 116.25 117.44 2hfn h VAL 113 Ca 0.11 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 2hfn h VAL 113 Cb 0.47 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2hfn h VAL 113 CO 0.02 0.10 0.09 0.25 0.02 0.00 0.00 177.57 178.05 2hfn h LEU 114 N 0.53 0.45 -1.60 2.57 5.85 -1.14 -2.54 115.31 119.44 2hfn h LEU 114 Ca 0.21 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.93 2hfn h LEU 114 Cb 0.09 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 2hfn h LEU 114 CO -0.13 0.45 0.34 0.50 -0.34 0.00 0.00 178.44 179.27 2hfn h LYS 115 N 0.49 0.49 -0.17 1.25 3.64 -0.73 -2.90 116.57 118.63 2hfn h LYS 115 Ca 0.12 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2hfn h LYS 115 Cb 0.18 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2hfn h LYS 115 CO -0.00 0.32 0.00 0.66 -2.27 0.00 0.00 179.45 178.16 2hfn n TYR 116 N -4.47 0.22 -3.87 1.91 4.02 -1.05 -5.05 117.16 108.86 2hfn n TYR 116 Ca 0.07 -0.20 -0.10 0.00 -0.01 0.00 0.00 57.90 57.66 2hfn n TYR 116 Cb 0.21 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 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 -1.05 0.12 0.41 7.72 1.04 -0.98 -4.89 113.70 116.06 2hfn s SER 117 Ca 0.20 -1.11 0.28 0.00 0.48 0.00 0.00 55.95 55.80 2hfn s SER 117 Cb 0.12 0.79 0.97 0.00 0.10 0.00 0.00 66.02 67.99 2hfn s SER 117 CO 0.17 -1.55 1.81 1.23 0.98 0.00 0.00 173.24 175.88 2hfn h GLY 118 N 2.03 0.00 -2.31 7.32 0.00 -1.86 -3.42 103.07 104.83 2hfn h GLY 118 Ca -0.29 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.79 2hfn h GLY 118 CO 0.37 0.00 -0.45 -1.36 0.00 0.00 0.00 176.54 175.10 2hfn s PHE 119 N -3.40 1.09 -1.18 5.60 0.08 -1.26 -5.05 117.98 113.86 2hfn s PHE 119 Ca 0.05 -1.29 0.28 0.00 0.12 0.00 0.00 56.93 56.09 2hfn s PHE 119 Cb 0.09 -0.38 1.15 0.00 -0.57 0.00 0.00 43.02 43.30 2hfn s PHE 119 CO 0.55 -0.81 1.84 -2.37 -0.10 0.00 0.00 175.22 174.33 2hfn n THR 120 N -0.38 0.00 -3.33 0.64 5.66 -1.26 -3.56 114.28 112.04 2hfn n THR 120 Ca 0.02 -0.01 -0.38 0.00 -3.05 0.00 0.00 64.05 60.63 2hfn n THR 120 Cb 0.64 -0.29 -0.06 0.00 -1.55 0.00 0.00 70.33 69.07 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 -2.84 5.08 -0.21 1.09 -4.23 -1.26 -4.74 115.64 108.53 2hfn s THR 121 Ca 0.18 0.99 -0.29 0.00 -1.18 0.00 0.00 61.69 61.40 2hfn s THR 121 Cb 0.19 -3.82 -0.02 0.00 1.34 0.00 0.00 72.50 70.20 2hfn s THR 121 CO 0.54 0.41 1.43 -0.22 -0.54 0.00 0.00 174.62 176.24 2hfn s LEU 122 N 0.02 4.01 -0.36 4.79 2.96 -1.26 -4.96 118.68 123.88 2hfn s LEU 122 Ca 0.26 1.58 0.01 0.00 -0.22 0.00 0.00 54.13 55.77 2hfn s LEU 122 Cb -0.16 -3.54 0.11 0.00 0.50 0.00 0.00 46.19 43.10 2hfn s LEU 122 CO 0.13 -1.03 0.13 -0.13 -1.32 0.00 0.00 176.35 174.12 2hfn s ARG 123 N 4.14 1.12 0.32 1.98 0.52 -1.26 -4.83 118.95 120.94 2hfn s ARG 123 Ca 0.62 -1.59 0.01 0.00 -0.52 0.00 0.00 55.73 54.25 2hfn s ARG 123 Cb -0.22 -2.47 0.56 0.00 0.52 0.00 0.00 34.95 33.33 2hfn s ARG 123 CO 0.23 -1.02 1.95 -1.35 0.02 0.00 0.00 175.30 175.13 2hfn h PRO 124 N 7.56 0.96 0.00 3.54 0.11 -1.93 -2.17 132.00 140.06 2hfn h PRO 124 Ca -0.08 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.97 2hfn h PRO 124 Cb 0.99 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2hfn h PRO 124 CO 0.50 0.63 0.00 -1.13 -0.21 0.00 0.00 178.00 177.79 2hfn n SER 125 N -4.46 0.00 -0.09 -2.05 3.41 -1.26 -1.72 113.62 107.46 2hfn n SER 125 Ca 0.11 -0.48 0.04 0.00 -0.26 0.00 0.00 58.87 58.29 2hfn n SER 125 Cb 0.14 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.15 2hfn n SER 125 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hfn n ALA 126 N -0.84 2.03 -3.07 7.33 0.00 -0.81 -5.03 120.51 120.11 2hfn n ALA 126 Ca 0.06 -1.69 -0.25 0.00 0.00 0.00 0.00 53.44 51.56 2hfn n ALA 126 Cb 0.03 -0.22 -0.16 0.00 0.00 0.00 0.00 19.45 19.09 2hfn n ALA 126 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2hfn s MET 127 N -1.65 1.73 0.94 0.00 -1.94 -0.70 -4.89 119.30 112.79 2hfn s MET 127 Ca 0.14 -0.54 -0.13 0.00 -1.71 0.00 0.00 55.69 53.45 2hfn s MET 127 Cb 0.13 -1.48 0.15 0.00 2.01 0.00 0.00 34.83 35.64 2hfn s MET 127 CO 0.01 0.17 1.15 0.16 -0.01 0.00 0.00 175.02 176.51 2hfn s ASP 128 N 0.22 3.28 0.30 3.03 3.84 -1.26 -4.74 116.67 121.34 2hfn s ASP 128 Ca -0.07 0.86 0.01 0.00 -0.00 0.00 0.00 52.55 53.35 2hfn s ASP 128 Cb -0.13 -1.35 0.55 0.00 -1.38 0.00 0.00 42.92 40.62 2hfn s ASP 128 CO 0.03 -2.68 1.89 -0.65 -0.00 0.00 0.00 175.17 173.75 2hfn h PRO 129 N -1.59 0.97 -0.42 2.11 0.11 -1.98 -1.11 132.00 130.08 2hfn h PRO 129 Ca -0.49 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 65.42 2hfn h PRO 129 Cb 1.32 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2hfn h PRO 129 CO 0.57 0.64 -0.28 1.49 -0.21 0.00 0.00 178.00 180.21 2hfn h GLU 130 N 1.00 0.92 -0.56 1.05 4.81 -1.98 -1.30 114.58 118.52 2hfn h GLU 130 Ca 0.42 -0.42 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 2hfn h GLU 130 Cb 0.31 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2hfn h GLU 130 CO -0.18 1.08 0.12 1.96 -0.73 0.00 0.00 179.01 181.27 2hfn h GLN 131 N 0.78 0.90 0.12 1.92 4.20 -1.74 -1.47 115.11 119.81 2hfn h GLN 131 Ca 0.09 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 2hfn h GLN 131 Cb 0.85 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.52 2hfn h GLN 131 CO 0.08 0.85 -0.06 0.00 -0.67 0.00 0.00 178.83 179.03 2hfn h LEU 133 N -0.21 0.61 -0.53 0.00 5.85 -1.18 -1.27 115.31 118.58 2hfn h LEU 133 Ca -0.02 -0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.53 2hfn h LEU 133 Cb 0.16 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2hfn h LEU 133 CO 0.03 0.45 -0.39 0.78 -0.34 0.00 0.00 178.44 178.97 2hfn h ASN 134 N 0.71 0.81 -0.23 1.25 2.35 -1.20 -0.96 115.58 118.32 2hfn h ASN 134 Ca 0.19 -0.36 0.02 0.00 -0.55 0.00 0.00 56.30 55.59 2hfn h ASN 134 Cb -0.07 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.05 2hfn h ASN 134 CO -0.04 1.10 0.11 0.15 -1.65 0.00 0.00 177.43 177.10 2hfn h PHE 135 N 0.63 0.20 -0.60 1.19 3.04 -0.87 -1.14 116.94 119.39 2hfn h PHE 135 Ca 0.05 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.93 2hfn h PHE 135 Cb 0.94 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 39.37 2hfn h PHE 135 CO 0.05 0.11 0.05 -0.07 -2.02 0.00 0.00 178.31 176.43 2hfn h LEU 136 N 0.23 1.00 -0.44 0.59 3.38 -0.99 -0.05 115.31 119.03 2hfn h LEU 136 Ca 0.09 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.79 2hfn h LEU 136 Cb 0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2hfn h LEU 136 CO -0.07 1.03 0.29 -0.07 0.09 0.00 0.00 178.44 179.71 2hfn h LEU 137 N 0.93 0.50 -0.47 1.67 3.38 -1.05 -1.52 115.31 118.75 2hfn h LEU 137 Ca 0.18 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 2hfn h LEU 137 Cb 0.49 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2hfn h LEU 137 CO 0.02 0.36 -0.02 0.44 0.09 0.00 0.00 178.44 179.33 2hfn h ASP 138 N 0.59 0.83 0.05 -0.43 5.19 -0.91 -1.95 116.42 119.80 2hfn h ASP 138 Ca 0.17 -0.32 -0.14 0.00 -0.62 0.00 0.00 57.03 56.11 2hfn h ASP 138 Cb -0.06 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.22 2hfn h ASP 138 CO -0.04 0.95 -0.48 -0.29 -3.12 0.00 0.00 179.24 176.25 2hfn h ILE 139 N 0.69 1.32 -0.52 0.35 2.10 -0.94 -1.54 117.51 118.97 2hfn h ILE 139 Ca 0.13 -1.70 -0.04 0.00 1.08 0.00 0.00 64.86 64.33 2hfn h ILE 139 Cb 0.54 1.70 -0.02 0.00 -1.09 0.00 0.00 36.82 37.94 2hfn h ILE 139 CO 0.03 0.53 0.16 0.00 -1.08 0.00 0.00 178.15 177.79 2hfn h ALA 140 N 1.08 1.32 -0.17 0.18 0.00 -1.16 -2.42 119.26 118.08 2hfn h ALA 140 Ca 0.02 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2hfn h ALA 140 Cb 1.00 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2hfn h ALA 140 CO 0.09 0.49 -0.14 -0.22 0.00 0.00 0.00 179.25 179.47 2hfn h LYS 141 N 0.75 0.40 0.00 0.00 3.64 -1.02 -3.15 116.57 117.19 2hfn h LYS 141 Ca 0.17 -0.20 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 2hfn h LYS 141 Cb 0.22 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2hfn h LYS 141 CO -0.01 0.75 -0.24 -0.84 -2.27 0.00 0.00 179.45 176.83 2hfn h ILE 142 N 0.06 0.83 -2.75 2.00 3.07 -1.21 -3.42 117.51 116.09 2hfn h ILE 142 Ca 0.03 -0.97 -0.08 0.00 1.55 0.00 0.00 64.86 65.39 2hfn h ILE 142 Cb 0.66 1.58 0.03 0.00 -0.27 0.00 0.00 36.82 38.82 2hfn h ILE 142 CO 0.04 0.24 0.06 -1.22 -1.05 0.00 0.00 178.15 176.21 2hfn n TYR 143 N -3.74 -3.78 0.00 0.16 4.02 -0.92 -5.12 117.16 107.78 2hfn n TYR 143 Ca -0.01 -0.25 0.00 0.00 -0.01 0.00 0.00 57.90 57.63 2hfn n TYR 143 Cb 0.35 -0.17 0.00 0.00 -0.02 0.00 0.00 39.34 39.50 2hfn n TYR 143 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2hfn n GLU 144 N -1.46 0.00 -1.10 -0.72 0.00 -1.26 -4.93 120.64 111.17 2hfn n GLU 144 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.30 2hfn n GLU 144 Cb 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 31.49 2hfn n GLU 144 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 2hfn n LEU 145 N 0.00 -0.61 0.00 -1.84 -0.00 -1.26 -4.98 117.00 108.31 2hfn n LEU 145 Ca 0.00 1.41 0.00 0.00 -0.00 0.00 0.00 56.01 57.42 2hfn n LEU 145 Cb 0.00 -2.99 0.00 0.00 -0.00 0.00 0.00 43.42 40.43 2hfn n LEU 145 CO 0.00 -1.61 0.00 -1.20 -0.00 0.00 0.00 177.39 174.58