#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hfn n SER 5 N 0.00 3.10 -4.71 7.83 2.88 -1.26 -4.55 113.62 116.91 2hfn n SER 5 Ca 0.00 1.18 -0.42 0.00 -1.33 0.00 0.00 58.87 58.30 2hfn n SER 5 Cb 0.00 -1.51 -0.03 0.00 -0.75 0.00 0.00 64.21 61.92 2hfn n SER 5 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2hfn s LEU 6 N -0.69 4.37 0.12 2.46 2.96 -1.26 -0.84 118.68 125.80 2hfn s LEU 6 Ca 0.61 2.02 0.05 0.00 -0.22 0.00 0.00 54.13 56.58 2hfn s LEU 6 Cb -0.57 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.51 2hfn s LEU 6 CO 0.56 -0.48 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.69 2hfn s TYR 7 N 1.10 1.23 0.00 5.38 1.51 0.13 -1.02 117.35 125.67 2hfn s TYR 7 Ca 0.59 -0.66 0.04 0.00 -1.01 0.00 0.00 57.07 56.03 2hfn s TYR 7 Cb -0.30 -0.64 -0.01 0.00 -0.11 0.00 0.00 41.96 40.90 2hfn s TYR 7 CO 0.29 0.07 -0.12 0.50 -1.11 0.00 0.00 175.55 175.19 2hfn s ARG 8 N -3.06 0.89 -0.05 -0.62 3.52 -0.25 -2.18 118.95 117.19 2hfn s ARG 8 Ca 0.10 -0.48 0.02 0.00 -0.13 0.00 0.00 55.73 55.24 2hfn s ARG 8 Cb -0.02 -0.86 0.01 0.00 -1.56 0.00 0.00 34.95 32.53 2hfn s ARG 8 CO 0.01 0.23 -0.09 -1.17 -0.81 0.00 0.00 175.30 173.47 2hfn s LEU 9 N -0.49 1.60 -0.09 -0.88 0.20 -0.21 -1.62 118.68 117.20 2hfn s LEU 9 Ca 0.03 -0.22 0.03 0.00 0.69 0.00 0.00 54.13 54.66 2hfn s LEU 9 Cb -0.05 -0.65 -0.01 0.00 -0.43 0.00 0.00 46.19 45.05 2hfn s LEU 9 CO -0.00 0.02 -0.19 -0.63 -0.29 0.00 0.00 176.35 175.26 2hfn s ILE 10 N 0.59 2.56 0.13 6.68 1.01 0.05 -0.66 121.20 131.56 2hfn s ILE 10 Ca -0.10 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 59.66 2hfn s ILE 10 Cb -0.13 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 2hfn s ILE 10 CO 0.02 0.55 0.08 -0.72 0.00 0.00 0.00 174.94 174.88 2hfn s TYR 11 N 0.07 0.74 0.15 3.97 1.13 -0.47 -0.40 117.35 122.54 2hfn s TYR 11 Ca -0.08 -1.13 0.07 0.00 -1.41 0.00 0.00 57.07 54.51 2hfn s TYR 11 Cb -0.15 -0.40 -0.04 0.00 -1.10 0.00 0.00 41.96 40.27 2hfn s TYR 11 CO 0.05 -0.54 -0.15 -1.54 -2.51 0.00 0.00 175.55 170.87 2hfn s SER 12 N -3.02 2.25 0.26 -0.18 1.04 -0.51 -1.20 113.70 112.35 2hfn s SER 12 Ca 0.21 -0.88 -0.09 0.00 0.48 0.00 0.00 55.95 55.67 2hfn s SER 12 Cb 0.07 -0.10 -0.01 0.00 0.10 0.00 0.00 66.02 66.09 2hfn s SER 12 CO 0.00 -0.14 0.44 -0.94 0.98 0.00 0.00 173.24 173.58 2hfn s SER 13 N -2.72 0.14 -0.25 7.02 1.04 -0.68 0.11 113.70 118.36 2hfn s SER 13 Ca 0.14 -1.11 -0.05 0.00 0.48 0.00 0.00 55.95 55.41 2hfn s SER 13 Cb -0.04 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 2hfn s SER 13 CO 0.04 -1.14 0.02 -1.10 0.98 0.00 0.00 173.24 172.04 2hfn s GLN 14 N -3.81 3.34 0.44 4.02 -1.52 -0.43 -1.51 119.66 120.19 2hfn s GLN 14 Ca 0.26 -0.67 -0.23 0.00 -1.95 0.00 0.00 55.36 52.77 2hfn s GLN 14 Cb 0.00 -3.18 -0.08 0.00 -0.22 0.00 0.00 33.01 29.53 2hfn s GLN 14 CO 0.12 -0.27 1.12 0.20 -0.25 0.00 0.00 175.29 176.20 2hfn s GLY 15 N 1.51 2.75 0.54 3.09 0.00 0.11 -0.29 107.32 115.03 2hfn s GLY 15 Ca 0.05 0.84 -0.22 0.00 0.00 0.00 0.00 44.72 45.38 2hfn s GLY 15 CO -0.00 1.27 1.36 -0.26 0.00 0.00 0.00 173.10 175.47 2hfn s ILE 16 N -1.61 2.08 0.48 0.90 -4.36 -0.77 -4.89 121.20 113.04 2hfn s ILE 16 Ca 0.62 0.06 0.22 0.00 -0.26 0.00 0.00 60.65 61.29 2hfn s ILE 16 Cb -0.26 -3.03 0.40 0.00 1.25 0.00 0.00 42.46 40.82 2hfn s ILE 16 CO 0.31 -0.00 1.92 -0.65 0.24 0.00 0.00 174.94 176.77 2hfn h PRO 17 N 1.50 0.19 -0.44 0.37 0.11 -1.95 -2.48 132.00 129.31 2hfn h PRO 17 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2hfn h PRO 17 Cb 1.30 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2hfn h PRO 17 CO 0.57 0.13 0.00 0.27 -0.21 0.00 0.00 178.00 178.76 2hfn n ASN 18 N -4.41 2.50 -4.67 -2.05 6.94 -1.26 -4.95 115.26 107.36 2hfn n ASN 18 Ca 0.15 -1.97 -0.45 0.00 -0.02 0.00 0.00 54.58 52.29 2hfn n ASN 18 Cb 0.68 -0.29 -0.02 0.00 -2.36 0.00 0.00 39.78 37.78 2hfn n ASN 18 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2hfn n LEU 19 N 0.86 3.01 -4.42 -4.53 7.99 -0.94 -5.02 117.00 113.97 2hfn n LEU 19 Ca 0.16 1.15 -0.20 0.00 -0.01 0.00 0.00 56.01 57.11 2hfn n LEU 19 Cb 0.40 -1.42 -0.10 0.00 -0.11 0.00 0.00 43.42 42.19 2hfn n LEU 19 CO 0.11 -0.58 -0.26 -1.10 -1.51 0.00 0.00 177.39 174.05 2hfn s GLN 20 N -0.65 1.60 0.25 3.23 -1.52 -1.26 -5.05 119.66 116.26 2hfn s GLN 20 Ca 0.66 -1.89 -0.04 0.00 -1.95 0.00 0.00 55.36 52.14 2hfn s GLN 20 Cb -0.65 -0.71 0.48 0.00 -0.22 0.00 0.00 33.01 31.91 2hfn s GLN 20 CO 0.52 -0.23 1.71 -1.35 -0.25 0.00 0.00 175.29 175.69 2hfn h PRO 21 N 2.17 0.34 -0.96 2.91 0.11 -2.01 -1.28 132.00 133.29 2hfn h PRO 21 Ca -0.40 -0.02 0.16 0.00 0.11 0.00 0.00 66.00 65.85 2hfn h PRO 21 Cb 1.25 -0.08 -0.10 0.00 0.11 0.00 0.00 31.00 32.18 2hfn h PRO 21 CO 0.67 0.23 0.56 0.37 -0.21 0.00 0.00 178.00 179.62 2hfn h GLN 22 N 0.35 0.76 -0.74 1.05 5.75 -1.98 -1.06 115.11 119.24 2hfn h GLN 22 Ca 0.42 -0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.93 2hfn h GLN 22 Cb 0.70 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 29.02 2hfn h GLN 22 CO -0.46 0.50 0.44 -0.44 -2.65 0.00 0.00 178.83 176.22 2hfn h ASP 23 N 0.78 0.69 -0.01 -0.69 3.32 -1.64 0.18 116.42 119.05 2hfn h ASP 23 Ca 0.52 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.46 2hfn h ASP 23 Cb 0.72 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 2hfn h ASP 23 CO -0.35 0.45 -0.41 0.25 -1.72 0.00 0.00 179.24 177.47 2hfn h LEU 24 N 0.83 0.56 -0.74 1.55 5.85 -1.18 -1.56 115.31 120.62 2hfn h LEU 24 Ca 0.32 -0.25 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 2hfn h LEU 24 Cb 0.14 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2hfn h LEU 24 CO -0.16 0.90 -0.08 0.50 -0.34 0.00 0.00 178.44 179.26 2hfn h LYS 25 N 0.44 0.87 -0.58 1.25 3.64 -0.55 -0.79 116.57 120.84 2hfn h LYS 25 Ca 0.04 -0.29 -0.10 0.00 -1.27 0.00 0.00 60.65 59.03 2hfn h LYS 25 Cb 0.90 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.62 2hfn h LYS 25 CO 0.08 0.92 -0.01 -0.44 -2.27 0.00 0.00 179.45 177.73 2hfn h ASP 26 N 0.79 1.02 -0.24 4.20 3.45 -0.42 -1.50 116.42 123.71 2hfn h ASP 26 Ca 0.13 -0.31 0.01 0.00 0.43 0.00 0.00 57.03 57.29 2hfn h ASP 26 Cb 0.59 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 39.07 2hfn h ASP 26 CO 0.04 1.08 0.15 0.40 -1.57 0.00 0.00 179.24 179.34 2hfn h ILE 27 N 0.93 1.05 -0.28 0.35 2.04 -1.09 -1.96 117.51 118.54 2hfn h ILE 27 Ca 0.16 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 2hfn h ILE 27 Cb 0.57 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2hfn h ILE 27 CO 0.03 0.06 0.12 0.25 0.00 0.00 0.00 178.15 178.61 2hfn h LEU 28 N 0.32 0.37 -1.13 1.44 6.46 -1.02 -1.07 115.31 120.68 2hfn h LEU 28 Ca 0.09 -0.14 -0.03 0.00 -0.12 0.00 0.00 57.88 57.68 2hfn h LEU 28 Cb -0.03 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 39.78 2hfn h LEU 28 CO -0.03 0.41 0.26 -0.33 -0.62 0.00 0.00 178.44 178.14 2hfn h GLU 29 N 0.31 0.87 -0.27 1.25 4.39 -1.22 0.35 114.58 120.27 2hfn h GLU 29 Ca 0.09 -0.13 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 2hfn h GLU 29 Cb 0.15 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2hfn h GLU 29 CO -0.01 0.70 -0.12 0.77 -1.16 0.00 0.00 179.01 179.19 2hfn h SER 30 N 0.86 0.57 -0.45 1.42 0.02 -1.18 -2.09 113.55 112.70 2hfn h SER 30 Ca 0.21 -0.40 0.01 0.00 -0.84 0.00 0.00 61.79 60.76 2hfn h SER 30 Cb 0.14 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 2hfn h SER 30 CO -0.02 0.84 0.29 0.28 -1.14 0.00 0.00 176.83 177.08 2hfn h SER 31 N 0.29 0.50 0.63 3.07 0.02 -0.71 -0.66 113.55 116.68 2hfn h SER 31 Ca 0.06 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.90 2hfn h SER 31 Cb 0.62 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 2hfn h SER 31 CO 0.04 0.36 -0.48 1.56 -1.14 0.00 0.00 176.83 177.17 2hfn h GLN 32 N 0.59 0.00 -0.16 3.45 4.20 -0.90 0.39 115.11 122.69 2hfn h GLN 32 Ca 0.17 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.77 2hfn h GLN 32 Cb -0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.73 2hfn h GLN 32 CO -0.05 0.48 -0.31 -0.09 -0.67 0.00 0.00 178.83 178.19 2hfn h ARG 33 N 0.00 0.49 0.17 1.46 2.43 -1.06 -3.40 114.38 114.48 2hfn h ARG 33 Ca -0.00 -0.31 -0.35 0.00 -0.81 0.00 0.00 59.98 58.50 2hfn h ARG 33 Cb 0.92 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 2hfn h ARG 33 CO 0.06 0.92 -1.78 -0.91 -1.51 0.00 0.00 179.97 176.75 2hfn h ASN 34 N 0.12 0.57 -0.56 -3.80 2.35 -0.93 -3.41 115.58 109.93 2hfn h ASN 34 Ca 0.01 -0.91 -0.02 0.00 -0.55 0.00 0.00 56.30 54.83 2hfn h ASN 34 Cb 0.90 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 39.06 2hfn h ASN 34 CO 0.07 1.77 0.28 0.78 -1.65 0.00 0.00 177.43 178.68 2hfn h ASN 35 N 0.10 0.72 -0.64 5.81 2.35 -1.12 -3.14 115.58 119.66 2hfn h ASN 35 Ca -0.35 -0.12 0.09 0.00 -0.55 0.00 0.00 56.30 55.37 2hfn h ASN 35 Cb 2.09 -0.18 -0.07 0.00 0.05 0.00 0.00 38.32 40.20 2hfn h ASN 35 CO 0.16 0.64 0.29 -0.65 -1.65 0.00 0.00 177.43 176.22 2hfn h PRO 36 N 0.75 0.49 0.00 0.81 0.11 -1.76 -0.35 132.00 132.05 2hfn h PRO 36 Ca 0.19 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.23 2hfn h PRO 36 Cb 0.10 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 2hfn h PRO 36 CO -0.03 0.33 -0.21 0.00 -0.21 0.00 0.00 178.00 177.88 2hfn h ALA 37 N 1.41 1.18 -0.11 -0.75 0.00 -1.81 -2.07 119.26 117.11 2hfn h ALA 37 Ca 0.32 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2hfn h ALA 37 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2hfn h ALA 37 CO -0.27 0.26 0.00 0.09 0.00 0.00 0.00 179.25 179.33 2hfn n ASN 38 N -3.60 2.02 -1.49 0.00 3.02 -0.86 -4.95 115.26 109.39 2hfn n ASN 38 Ca -0.01 -1.70 -0.15 0.00 -0.03 0.00 0.00 54.58 52.68 2hfn n ASN 38 Cb 0.35 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.42 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 1.23 0.59 3.78 7.41 0.00 -0.44 -4.77 105.19 112.98 2hfn n GLY 39 Ca 0.17 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.68 5.07 0.28 -0.61 -1.09 -0.27 -4.47 121.20 117.42 2hfn s ILE 40 Ca 0.00 0.94 0.06 0.00 -2.23 0.00 0.00 60.65 59.41 2hfn s ILE 40 Cb 0.00 -3.78 -0.06 0.00 -1.58 0.00 0.00 42.46 37.04 2hfn s ILE 40 CO 0.00 0.45 -0.04 0.42 -1.23 0.00 0.00 174.94 174.55 2hfn s THR 41 N -0.25 1.49 -5.00 2.92 -4.23 -0.58 -4.38 115.64 105.61 2hfn s THR 41 Ca 0.25 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 2hfn s THR 41 Cb -0.16 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.21 2hfn s THR 41 CO 0.12 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 2hfn n GLY 42 N -0.57 -0.13 3.42 3.99 0.00 -0.94 -0.61 105.19 110.36 2hfn n GLY 42 Ca -0.05 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.90 -3.55 118.68 118.03 2hfn s LEU 43 Ca 0.00 1.07 0.03 0.00 -0.22 0.00 0.00 54.13 55.01 2hfn s LEU 43 Cb 0.00 1.80 -0.01 0.00 0.50 0.00 0.00 46.19 48.49 2hfn s LEU 43 CO 0.00 -0.19 -0.21 -0.22 -1.32 0.00 0.00 176.35 174.41 2hfn s LEU 44 N 0.39 2.26 -0.04 -0.68 2.96 0.45 -1.28 118.68 122.74 2hfn s LEU 44 Ca -0.01 -0.48 0.05 0.00 -0.22 0.00 0.00 54.13 53.47 2hfn s LEU 44 Cb -0.04 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.17 2hfn s LEU 44 CO -0.01 0.18 -0.19 0.00 -1.32 0.00 0.00 176.35 175.02 2hfn s TYR 46 N -0.67 2.76 -0.37 0.00 5.04 -0.30 -0.97 117.35 122.83 2hfn s TYR 46 Ca 0.11 -1.69 0.02 0.00 -2.44 0.00 0.00 57.07 53.07 2hfn s TYR 46 Cb -0.10 -1.87 0.11 0.00 0.35 0.00 0.00 41.96 40.45 2hfn s TYR 46 CO 0.00 -0.80 0.12 0.45 -1.34 0.00 0.00 175.55 173.98 2hfn s SER 47 N 1.29 4.36 -0.12 4.32 0.15 0.86 -1.00 113.70 123.56 2hfn s SER 47 Ca 0.03 -2.22 -0.40 0.00 0.70 0.00 0.00 55.95 54.06 2hfn s SER 47 Cb -0.14 -1.35 -0.18 0.00 -1.71 0.00 0.00 66.02 62.64 2hfn s SER 47 CO -0.11 -0.35 1.39 2.29 1.20 0.00 0.00 173.24 177.65 2hfn n LYS 48 N 4.14 0.58 -0.09 5.44 0.00 -1.26 0.85 118.16 127.82 2hfn n LYS 48 Ca 0.03 0.21 0.11 0.00 -0.00 0.00 0.00 58.31 58.66 2hfn n LYS 48 Cb 0.39 -1.79 0.36 0.00 -0.00 0.00 0.00 35.03 33.99 2hfn n LYS 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2hfn n PRO 49 N 3.05 1.83 -3.50 -1.58 -0.04 -1.26 -5.04 135.00 128.47 2hfn n PRO 49 Ca 0.23 -1.25 -0.37 0.00 -0.04 0.00 0.00 63.50 62.07 2hfn n PRO 49 Cb 0.10 -1.41 -0.06 0.00 -0.04 0.00 0.00 33.50 32.09 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 -1.77 3.69 0.00 0.55 0.00 0.25 0.05 121.76 124.53 2hfn s ALA 50 Ca 0.33 -0.25 -0.01 0.00 0.00 0.00 0.00 51.96 52.03 2hfn s ALA 50 Cb 0.18 -2.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 2hfn s ALA 50 CO 0.27 0.50 0.14 -0.06 0.00 0.00 0.00 175.76 176.61 2hfn s PHE 51 N -1.21 3.43 -0.05 0.00 0.40 -0.57 -0.10 117.98 119.88 2hfn s PHE 51 Ca 0.28 0.28 0.01 0.00 -0.60 0.00 0.00 56.93 56.89 2hfn s PHE 51 Cb -0.16 -1.78 0.02 0.00 0.51 0.00 0.00 43.02 41.62 2hfn s PHE 51 CO 0.15 0.60 -0.04 -1.17 0.70 0.00 0.00 175.22 175.46 2hfn s LEU 52 N -1.92 1.24 0.01 -0.37 2.96 -0.14 -1.69 118.68 118.77 2hfn s LEU 52 Ca 0.26 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 2hfn s LEU 52 Cb -0.12 -0.46 -0.01 0.00 0.50 0.00 0.00 46.19 46.09 2hfn s LEU 52 CO 0.18 -0.07 -0.06 -1.58 -1.32 0.00 0.00 176.35 173.49 2hfn s GLN 53 N 1.06 0.48 -0.09 1.98 0.74 -0.34 -0.57 119.66 122.93 2hfn s GLN 53 Ca -0.09 -0.37 0.02 0.00 0.05 0.00 0.00 55.36 54.97 2hfn s GLN 53 Cb -0.14 -0.41 -0.02 0.00 1.10 0.00 0.00 33.01 33.54 2hfn s GLN 53 CO -0.01 0.10 -0.14 0.54 -0.55 0.00 0.00 175.29 175.24 2hfn s VAL 54 N -0.50 3.05 -0.02 1.34 0.11 -0.40 -1.37 120.40 122.61 2hfn s VAL 54 Ca -0.01 -0.69 0.07 0.00 -2.93 0.00 0.00 61.98 58.41 2hfn s VAL 54 Cb -0.04 -2.24 -0.02 0.00 -1.53 0.00 0.00 36.38 32.55 2hfn s VAL 54 CO 0.00 0.56 -0.22 -0.76 -3.33 0.00 0.00 175.10 171.35 2hfn s LEU 55 N -0.17 2.04 0.05 2.54 1.43 0.17 -2.11 118.68 122.63 2hfn s LEU 55 Ca -0.00 -0.40 0.05 0.00 -1.03 0.00 0.00 54.13 52.75 2hfn s LEU 55 Cb -0.13 -1.15 -0.02 0.00 0.03 0.00 0.00 46.19 44.91 2hfn s LEU 55 CO 0.03 0.27 -0.15 -1.61 0.23 0.00 0.00 176.35 175.11 2hfn s GLU 56 N -0.48 0.99 0.00 1.70 2.02 0.22 -1.04 118.70 122.11 2hfn s GLU 56 Ca 0.07 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.23 2hfn s GLU 56 Cb -0.09 -1.03 0.00 0.00 0.10 0.00 0.00 34.13 33.11 2hfn s GLU 56 CO -0.01 0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.94 2hfn n GLY 57 N 1.75 -1.28 3.76 -1.39 0.00 -0.93 -1.52 105.19 105.58 2hfn n GLY 57 Ca -0.18 -1.20 -0.38 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.94 3.36 0.18 1.61 2.12 -1.26 -0.70 118.70 122.07 2hfn s GLU 58 Ca 0.00 2.02 -0.16 0.00 0.36 0.00 0.00 54.97 57.19 2hfn s GLU 58 Cb 0.00 -2.29 0.13 0.00 0.26 0.00 0.00 34.13 32.24 2hfn s GLU 58 CO 0.00 -0.95 1.65 0.00 -0.54 0.00 0.00 175.26 175.42 2hfn h GLU 60 N -0.02 0.65 -0.31 0.00 4.81 -1.91 -1.30 114.58 116.51 2hfn h GLU 60 Ca 0.22 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.23 2hfn h GLU 60 Cb 0.36 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 2hfn h GLU 60 CO -0.49 0.43 -0.51 1.96 -0.73 0.00 0.00 179.01 179.67 2hfn h GLN 61 N 0.67 0.90 -0.36 1.92 1.08 -1.51 -0.19 115.11 117.63 2hfn h GLN 61 Ca 0.28 -0.55 0.01 0.00 -1.45 0.00 0.00 58.65 56.94 2hfn h GLN 61 Cb 0.15 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 2hfn h GLN 61 CO -0.16 1.19 0.21 0.28 -0.95 0.00 0.00 178.83 179.40 2hfn h VAL 62 N 0.70 1.04 -0.58 -0.54 2.07 -0.70 -0.94 116.25 117.30 2hfn h VAL 62 Ca 0.02 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 2hfn h VAL 62 Cb 1.12 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 2hfn h VAL 62 CO 0.12 0.08 0.11 0.78 0.02 0.00 0.00 177.57 178.67 2hfn h ASN 63 N 0.42 0.91 -0.62 0.57 4.21 -1.21 0.00 115.58 119.87 2hfn h ASN 63 Ca 0.14 -0.25 -0.00 0.00 1.21 0.00 0.00 56.30 57.39 2hfn h ASN 63 Cb 0.00 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 36.93 2hfn h ASN 63 CO -0.07 0.93 0.37 -0.08 -1.29 0.00 0.00 177.43 177.30 2hfn h GLU 64 N 0.85 0.84 -0.13 0.81 4.22 -0.76 -1.37 114.58 119.05 2hfn h GLU 64 Ca 0.18 -0.08 -0.05 0.00 0.08 0.00 0.00 59.36 59.49 2hfn h GLU 64 Cb 0.40 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 2hfn h GLU 64 CO 0.01 0.61 -0.13 1.15 -2.18 0.00 0.00 179.01 178.46 2hfn h THR 65 N 0.84 1.35 -0.02 0.32 2.02 -0.98 -2.11 112.91 114.35 2hfn h THR 65 Ca 0.22 -1.30 0.01 0.00 0.77 0.00 0.00 66.41 66.11 2hfn h THR 65 Cb -0.02 1.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 2hfn h THR 65 CO -0.04 0.38 -0.04 0.22 0.37 0.00 0.00 175.52 176.40 2hfn h TYR 66 N -0.08 -0.10 0.00 3.16 5.03 -0.90 0.51 116.97 124.58 2hfn h TYR 66 Ca 0.02 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.27 2hfn h TYR 66 Cb 0.66 0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.98 2hfn h TYR 66 CO 0.09 -0.07 -0.28 0.45 -1.32 0.00 0.00 178.16 177.03 2hfn h HIS 67 N -0.07 0.00 -0.12 -3.82 3.86 -1.22 -0.50 115.15 113.27 2hfn h HIS 67 Ca 0.02 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 2hfn h HIS 67 Cb 0.10 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 2hfn h HIS 67 CO -0.12 0.28 -0.08 -0.09 0.86 0.00 0.00 177.93 178.78 2hfn h ARG 68 N 0.00 0.27 -0.61 2.45 2.43 -1.05 -3.26 114.38 114.61 2hfn h ARG 68 Ca -0.00 -0.13 0.10 0.00 -0.81 0.00 0.00 59.98 59.14 2hfn h ARG 68 Cb 0.61 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.08 2hfn h ARG 68 CO 0.04 0.64 0.22 0.82 -1.51 0.00 0.00 179.97 180.17 2hfn h ILE 69 N -0.09 0.75 -0.21 1.20 2.04 -0.17 -2.11 117.51 118.92 2hfn h ILE 69 Ca 0.03 -0.13 0.06 0.00 1.00 0.00 0.00 64.86 65.81 2hfn h ILE 69 Cb 0.56 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2hfn h ILE 69 CO 0.02 0.07 0.21 -0.37 0.00 0.00 0.00 178.15 178.08 2hfn h VAL 70 N 0.39 0.52 0.00 1.67 -1.51 -1.17 -0.90 116.25 115.25 2hfn h VAL 70 Ca 0.31 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.78 2hfn h VAL 70 Cb 0.40 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 30.40 2hfn h VAL 70 CO -0.32 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.02 2hfn n GLN 71 N -3.89 0.17 -1.87 5.19 1.13 -0.79 -4.87 117.38 112.45 2hfn n GLN 71 Ca 0.02 0.02 -0.42 0.00 -1.94 0.00 0.00 57.00 54.68 2hfn n GLN 71 Cb 0.34 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.16 2hfn n GLN 71 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2hfn s ASP 72 N -2.82 6.54 0.06 1.08 2.15 -0.34 -4.90 116.67 118.44 2hfn s ASP 72 Ca 0.19 2.61 0.11 0.00 0.43 0.00 0.00 52.55 55.90 2hfn s ASP 72 Cb 0.18 -2.58 0.51 0.00 -0.30 0.00 0.00 42.92 40.74 2hfn s ASP 72 CO 0.47 -0.90 1.36 -0.62 -0.17 0.00 0.00 175.17 175.31 2hfn n GLU 73 N 5.03 0.04 0.00 4.34 1.02 -1.26 -3.22 120.64 126.58 2hfn n GLU 73 Ca 0.16 0.39 0.15 0.00 -0.02 0.00 0.00 57.16 57.84 2hfn n GLU 73 Cb 0.39 -1.59 0.68 0.00 -0.02 0.00 0.00 31.44 30.90 2hfn n GLU 73 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2hfn n ARG 74 N -1.67 1.23 -3.77 3.49 1.74 -1.26 -4.83 116.66 111.59 2hfn n ARG 74 Ca 0.02 -0.48 -0.09 0.00 -0.77 0.00 0.00 57.85 56.52 2hfn n ARG 74 Cb 0.11 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.02 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 -2.10 -0.10 0.34 -1.55 -3.43 -1.20 -1.85 115.29 105.40 2hfn s HIS 75 Ca 0.39 -0.26 -0.03 0.00 -0.80 0.00 0.00 55.06 54.36 2hfn s HIS 75 Cb 0.21 0.43 0.00 0.00 -1.43 0.00 0.00 32.58 31.79 2hfn s HIS 75 CO 0.38 -0.97 0.47 -3.38 -2.00 0.00 0.00 174.74 169.24 2hfn s HIS 76 N -3.89 1.02 -1.25 0.38 -3.43 0.61 -4.83 115.29 103.90 2hfn s HIS 76 Ca 0.10 -1.26 -0.17 0.00 -0.80 0.00 0.00 55.06 52.93 2hfn s HIS 76 Cb -0.02 -0.07 0.00 0.00 -1.43 0.00 0.00 32.58 31.06 2hfn s HIS 76 CO -0.01 -1.12 0.63 0.43 -2.00 0.00 0.00 174.74 172.67 2hfn n SER 77 N -1.34 -3.36 -4.77 7.38 7.64 -1.26 -1.32 113.62 116.60 2hfn n SER 77 Ca 0.01 -1.08 -0.40 0.00 1.01 0.00 0.00 58.87 58.40 2hfn n SER 77 Cb 0.62 -2.88 -0.02 0.00 -1.01 0.00 0.00 64.21 60.91 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 -6.49 4.36 -0.29 1.43 0.04 -1.26 -4.42 135.00 128.37 2hfn s PRO 78 Ca 0.32 2.11 0.03 0.00 0.04 0.00 0.00 61.00 63.50 2hfn s PRO 78 Cb -0.13 -3.04 0.08 0.00 0.04 0.00 0.00 34.50 31.44 2hfn s PRO 78 CO 0.90 -0.14 -0.04 -0.65 0.04 0.00 0.00 177.00 177.10 2hfn s GLN 79 N -1.80 1.85 -0.00 4.56 -1.52 0.12 -4.99 119.66 117.88 2hfn s GLN 79 Ca 0.49 -1.52 -0.30 0.00 -1.95 0.00 0.00 55.36 52.08 2hfn s GLN 79 Cb -0.37 -2.97 -0.06 0.00 -0.22 0.00 0.00 33.01 29.39 2hfn s GLN 79 CO 0.49 -0.73 1.58 0.42 -0.25 0.00 0.00 175.29 176.80 2hfn s ILE 80 N 1.06 3.45 -0.17 1.08 1.01 -1.26 -1.42 121.20 124.95 2hfn s ILE 80 Ca -0.00 0.76 -0.07 0.00 0.00 0.00 0.00 60.65 61.33 2hfn s ILE 80 Cb -0.19 -3.49 -0.23 0.00 0.01 0.00 0.00 42.46 38.56 2hfn s ILE 80 CO -0.07 -0.03 0.18 -0.38 0.00 0.00 0.00 174.94 174.65 2hfn n ILE 81 N 5.00 1.68 -3.60 2.92 5.41 0.47 -4.98 119.36 126.26 2hfn n ILE 81 Ca 0.16 -0.55 -0.16 0.00 1.00 0.00 0.00 62.75 63.19 2hfn n ILE 81 Cb 0.42 -1.71 -0.07 0.00 -0.71 0.00 0.00 39.64 37.57 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 0.91 -0.18 0.38 2.12 -0.93 -4.72 118.70 113.75 2hfn s GLU 82 Ca -0.27 0.26 -0.07 0.00 0.36 0.00 0.00 54.97 55.24 2hfn s GLU 82 Cb 0.07 0.43 0.08 0.00 0.26 0.00 0.00 34.13 34.97 2hfn s GLU 82 CO 0.70 -0.26 0.40 0.00 -0.54 0.00 0.00 175.26 175.56 2hfn s MET 84 N 2.14 0.86 0.57 0.00 0.23 -0.64 -5.01 119.30 117.45 2hfn s MET 84 Ca -0.04 -0.18 -0.20 0.00 -1.03 0.00 0.00 55.69 54.24 2hfn s MET 84 Cb -0.11 0.40 -0.04 0.00 -1.53 0.00 0.00 34.83 33.55 2hfn s MET 84 CO -0.12 -0.35 1.22 -2.14 -2.03 0.00 0.00 175.02 171.60 2hfn s PRO 85 N -2.60 3.11 0.15 3.16 0.02 -1.26 -1.09 135.00 136.48 2hfn s PRO 85 Ca 0.01 1.88 0.07 0.00 0.02 0.00 0.00 61.00 62.99 2hfn s PRO 85 Cb -0.01 -2.05 -0.04 0.00 0.02 0.00 0.00 34.50 32.43 2hfn s PRO 85 CO -0.05 -1.11 -0.16 0.96 -0.33 0.00 0.00 177.00 176.30 2hfn s ILE 86 N -1.54 1.61 0.15 2.83 -4.36 -0.19 -4.81 121.20 114.89 2hfn s ILE 86 Ca 0.75 -1.84 -0.07 0.00 -0.26 0.00 0.00 60.65 59.23 2hfn s ILE 86 Cb -0.32 -1.72 -0.10 0.00 1.25 0.00 0.00 42.46 41.58 2hfn s ILE 86 CO 0.35 -0.36 1.42 0.03 0.24 0.00 0.00 174.94 176.62 2hfn h ARG 87 N 3.36 0.65 -2.64 0.37 3.08 -1.96 -3.44 114.38 113.80 2hfn h ARG 87 Ca -0.41 -0.47 0.05 0.00 0.07 0.00 0.00 59.98 59.22 2hfn h ARG 87 Cb 1.20 0.08 -0.13 0.00 0.08 0.00 0.00 29.97 31.20 2hfn h ARG 87 CO 0.51 1.09 0.35 -0.98 -1.07 0.00 0.00 179.97 179.87 2hfn s ARG 88 N -3.87 1.09 0.61 0.04 1.70 -1.26 -5.10 118.95 112.16 2hfn s ARG 88 Ca -0.08 -0.42 -0.13 0.00 -0.47 0.00 0.00 55.73 54.63 2hfn s ARG 88 Cb 0.10 0.49 -0.03 0.00 -0.57 0.00 0.00 34.95 34.93 2hfn s ARG 88 CO 0.87 -0.48 1.03 1.03 -1.08 0.00 0.00 175.30 176.67 2hfn s ARG 89 N -3.45 3.46 -0.00 3.89 0.52 -1.26 -5.00 118.95 117.12 2hfn s ARG 89 Ca 0.04 0.91 0.01 0.00 -0.52 0.00 0.00 55.73 56.17 2hfn s ARG 89 Cb -0.01 -2.06 -0.02 0.00 0.52 0.00 0.00 34.95 33.38 2hfn s ARG 89 CO -0.10 -0.68 0.04 0.09 0.02 0.00 0.00 175.30 174.67 2hfn n ASN 90 N -2.51 3.22 -0.89 0.23 4.13 -1.26 -4.78 115.26 113.40 2hfn n ASN 90 Ca 0.07 -0.17 0.01 0.00 1.68 0.00 0.00 54.58 56.17 2hfn n ASN 90 Cb 0.54 1.04 0.20 0.00 -1.54 0.00 0.00 39.78 40.02 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 -1.39 0.69 0.34 3.10 3.01 -1.26 -4.82 117.46 117.13 2hfn n PHE 91 Ca -0.00 -1.45 0.08 0.00 1.01 0.00 0.00 57.45 57.08 2hfn n PHE 91 Cb 0.03 -0.38 0.35 0.00 -0.01 0.00 0.00 39.48 39.47 2hfn n PHE 91 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 2hfn n GLU 92 N -1.09 0.08 0.05 -1.08 0.00 -1.26 -2.01 120.64 115.34 2hfn n GLU 92 Ca 0.27 0.40 0.12 0.00 0.00 0.00 0.00 57.16 57.95 2hfn n GLU 92 Cb 0.90 -1.68 0.27 0.00 0.00 0.00 0.00 31.44 30.93 2hfn n GLU 92 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 2hfn n VAL 93 N -1.83 0.32 -4.22 3.84 0.24 -1.26 -4.82 118.33 110.60 2hfn n VAL 93 Ca 0.02 -0.21 -0.32 0.00 -2.04 0.00 0.00 64.34 61.78 2hfn n VAL 93 Cb 0.14 -0.19 -0.16 0.00 -1.47 0.00 0.00 33.84 32.16 2hfn n VAL 93 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 2hfn s TRP 94 N -3.11 2.63 0.17 6.34 0.51 -0.85 -4.98 118.94 119.65 2hfn s TRP 94 Ca 0.08 -1.50 -0.15 0.00 -2.12 0.00 0.00 56.10 52.41 2hfn s TRP 94 Cb 0.14 -1.83 0.14 0.00 -0.81 0.00 0.00 33.47 31.11 2hfn s TRP 94 CO 0.68 -0.74 1.70 0.66 -0.51 0.00 0.00 176.95 178.73 2hfn h SER 95 N 7.83 -0.16 -4.15 2.95 4.64 -1.85 -2.49 113.55 120.31 2hfn h SER 95 Ca -0.42 0.10 0.04 0.00 -0.47 0.00 0.00 61.79 61.04 2hfn h SER 95 Cb 1.15 0.17 -0.22 0.00 -0.31 0.00 0.00 62.40 63.19 2hfn h SER 95 CO 0.60 -0.04 0.42 -0.32 -0.87 0.00 0.00 176.83 176.62 2hfn s MET 96 N -6.17 0.70 0.10 4.77 -2.45 -1.26 -3.52 119.30 111.47 2hfn s MET 96 Ca -0.13 0.31 0.05 0.00 -1.25 0.00 0.00 55.69 54.66 2hfn s MET 96 Cb 0.15 0.33 -0.03 0.00 1.25 0.00 0.00 34.83 36.53 2hfn s MET 96 CO 0.72 -0.19 -0.13 1.14 1.05 0.00 0.00 175.02 177.61 2hfn s GLN 97 N -0.79 0.89 -0.12 4.11 -2.07 -1.23 -4.88 119.66 115.57 2hfn s GLN 97 Ca -0.03 -1.12 0.02 0.00 -1.82 0.00 0.00 55.36 52.41 2hfn s GLN 97 Cb -0.01 -0.74 0.01 0.00 -1.09 0.00 0.00 33.01 31.17 2hfn s GLN 97 CO 0.02 0.14 -0.19 0.00 -1.32 0.00 0.00 175.29 173.94 2hfn s ALA 98 N -1.98 1.98 -0.11 2.60 0.00 -1.26 -0.41 121.76 122.59 2hfn s ALA 98 Ca 0.04 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.13 2hfn s ALA 98 Cb -0.06 -0.89 -0.00 0.00 0.00 0.00 0.00 23.12 22.17 2hfn s ALA 98 CO 0.02 0.00 -0.22 0.42 0.00 0.00 0.00 175.76 175.98 2hfn s ILE 99 N 0.81 2.23 -0.16 0.00 1.01 0.83 -4.99 121.20 120.91 2hfn s ILE 99 Ca -0.09 -0.96 -0.15 0.00 0.00 0.00 0.00 60.65 59.46 2hfn s ILE 99 Cb -0.16 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 2hfn s ILE 99 CO 0.00 0.55 0.33 0.42 0.00 0.00 0.00 174.94 176.24 2hfn s THR 100 N 0.36 5.28 -0.26 2.92 -4.23 -1.26 -1.15 115.64 117.30 2hfn s THR 100 Ca -0.17 0.61 0.02 0.00 -1.18 0.00 0.00 61.69 60.97 2hfn s THR 100 Cb -0.18 -3.67 0.06 0.00 1.34 0.00 0.00 72.50 70.06 2hfn s THR 100 CO 0.08 0.36 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.76 2hfn s VAL 101 N 0.65 1.94 0.02 2.29 1.01 -0.17 -4.94 120.40 121.19 2hfn s VAL 101 Ca 0.18 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 60.60 2hfn s VAL 101 Cb -0.13 -2.15 -0.00 0.00 0.00 0.00 0.00 36.38 34.10 2hfn s VAL 101 CO 0.05 -0.12 0.02 -0.46 0.00 0.00 0.00 175.10 174.59 2hfn n ASN 102 N 4.50 -0.04 0.00 3.32 2.04 -1.26 -4.02 115.26 119.80 2hfn n ASN 102 Ca -0.11 -1.12 0.08 0.00 -0.44 0.00 0.00 54.58 52.99 2hfn n ASN 102 Cb 0.43 0.09 0.43 0.00 -2.53 0.00 0.00 39.78 38.20 2hfn n ASN 102 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 2hfn n ASP 103 N -2.93 0.00 -0.19 0.53 4.64 -1.26 -2.29 116.55 115.05 2hfn n ASP 103 Ca 0.00 0.03 0.05 0.00 -1.38 0.00 0.00 54.79 53.50 2hfn n ASP 103 Cb 0.03 -0.28 0.10 0.00 -1.04 0.00 0.00 41.12 39.93 2hfn n ASP 103 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2hfn n LEU 104 N -1.28 2.44 -4.71 -2.67 -0.00 -1.26 -5.04 117.00 104.48 2hfn n LEU 104 Ca 0.08 -2.52 -0.29 0.00 -0.00 0.00 0.00 56.01 53.28 2hfn n LEU 104 Cb 0.14 -0.25 0.16 0.00 -0.00 0.00 0.00 43.42 43.47 2hfn n LEU 104 CO 0.13 0.62 0.66 -0.44 -0.00 0.00 0.00 177.39 178.37 2hfn s SER 105 N -1.81 2.98 0.61 1.45 0.01 -0.97 -5.01 113.70 110.96 2hfn s SER 105 Ca 0.19 1.15 -0.19 0.00 1.31 0.00 0.00 55.95 58.42 2hfn s SER 105 Cb 0.16 -1.80 -0.03 0.00 0.21 0.00 0.00 66.02 64.56 2hfn s SER 105 CO 0.04 -2.90 1.14 0.41 0.41 0.00 0.00 173.24 172.34 2hfn n THR 106 N -4.02 4.21 -0.29 1.44 -1.04 -1.26 -4.80 114.28 108.51 2hfn n THR 106 Ca 0.06 -0.50 0.07 0.00 -2.04 0.00 0.00 64.05 61.63 2hfn n THR 106 Cb 0.58 -1.35 0.28 0.00 -1.82 0.00 0.00 70.33 68.02 2hfn n THR 106 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 2hfn h GLU 107 N 0.63 0.89 -0.53 -2.82 -0.00 -1.98 -0.53 114.58 110.24 2hfn h GLU 107 Ca -0.50 -0.05 -0.03 0.00 -0.00 0.00 0.00 59.36 58.78 2hfn h GLU 107 Cb 1.35 -0.20 -0.03 0.00 -0.00 0.00 0.00 28.75 29.87 2hfn h GLU 107 CO 0.52 0.59 0.20 0.37 -0.00 0.00 0.00 179.01 180.70 2hfn h GLN 108 N 0.92 0.76 -0.07 1.06 4.15 -1.99 0.12 115.11 120.05 2hfn h GLN 108 Ca 0.41 -0.11 -0.10 0.00 0.77 0.00 0.00 58.65 59.62 2hfn h GLN 108 Cb 0.37 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.93 2hfn h GLN 108 CO -0.17 0.63 -0.34 0.28 -1.93 0.00 0.00 178.83 177.29 2hfn h VAL 109 N 0.75 1.42 -0.31 2.39 2.07 -1.75 -2.67 116.25 118.14 2hfn h VAL 109 Ca 0.18 -1.74 0.03 0.00 0.82 0.00 0.00 66.70 65.99 2hfn h VAL 109 Cb 0.16 2.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 2hfn h VAL 109 CO -0.02 0.50 0.21 0.11 0.02 0.00 0.00 177.57 178.40 2hfn h LYS 110 N -0.12 0.30 0.03 1.57 1.57 -0.71 -1.16 116.57 118.06 2hfn h LYS 110 Ca -0.02 -0.02 -0.23 0.00 -1.87 0.00 0.00 60.65 58.51 2hfn h LYS 110 Cb 0.99 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.23 2hfn h LYS 110 CO 0.07 0.20 -1.00 1.15 -0.57 0.00 0.00 179.45 179.30 2hfn h THR 111 N 0.31 1.45 -0.78 -0.16 2.02 -0.81 -2.02 112.91 112.91 2hfn h THR 111 Ca 0.13 -2.64 -0.03 0.00 0.77 0.00 0.00 66.41 64.64 2hfn h THR 111 Cb 0.13 2.56 -0.04 0.00 -1.74 0.00 0.00 68.15 69.07 2hfn h THR 111 CO -0.03 0.78 0.36 0.25 0.37 0.00 0.00 175.52 177.25 2hfn h LEU 112 N 0.16 1.04 -0.66 2.58 6.46 -1.04 0.28 115.31 124.13 2hfn h LEU 112 Ca -0.08 -0.15 0.03 0.00 -0.12 0.00 0.00 57.88 57.56 2hfn h LEU 112 Cb 1.66 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 41.27 2hfn h LEU 112 CO 0.17 0.90 0.41 0.58 -0.62 0.00 0.00 178.44 179.88 2hfn h VAL 113 N 1.12 1.08 -0.27 1.05 2.07 -1.09 -2.82 116.25 117.39 2hfn h VAL 113 Ca 0.27 -0.27 -0.14 0.00 0.82 0.00 0.00 66.70 67.37 2hfn h VAL 113 Cb 0.15 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 2hfn h VAL 113 CO -0.03 0.15 -0.42 0.25 0.02 0.00 0.00 177.57 177.54 2hfn h LEU 114 N 0.80 0.70 -1.13 2.57 5.85 -0.59 -2.62 115.31 120.89 2hfn h LEU 114 Ca 0.27 -0.32 0.23 0.00 0.84 0.00 0.00 57.88 58.90 2hfn h LEU 114 Cb 0.03 -0.20 -0.11 0.00 0.37 0.00 0.00 40.66 40.76 2hfn h LEU 114 CO -0.11 1.03 0.62 0.50 -0.34 0.00 0.00 178.44 180.14 2hfn h LYS 115 N 0.53 0.56 -0.06 1.25 3.64 -0.21 -2.89 116.57 119.40 2hfn h LYS 115 Ca 0.04 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2hfn h LYS 115 Cb 0.95 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 2hfn h LYS 115 CO 0.09 0.37 0.00 0.66 -2.27 0.00 0.00 179.45 178.30 2hfn n TYR 116 N -4.76 0.05 -3.95 1.91 4.02 -1.17 -5.05 117.16 108.21 2hfn n TYR 116 Ca 0.25 -0.04 -0.11 0.00 -0.01 0.00 0.00 57.90 57.99 2hfn n TYR 116 Cb 0.73 -0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 40.03 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 -1.30 0.37 0.53 7.72 1.04 -1.00 -4.86 113.70 116.21 2hfn s SER 117 Ca 0.20 -1.24 0.33 0.00 0.48 0.00 0.00 55.95 55.71 2hfn s SER 117 Cb 0.14 0.74 1.36 0.00 0.10 0.00 0.00 66.02 68.36 2hfn s SER 117 CO 0.20 -1.46 1.97 1.23 0.98 0.00 0.00 173.24 176.16 2hfn h GLY 118 N 2.07 0.00 -1.61 7.32 0.00 -1.85 -3.42 103.07 105.58 2hfn h GLY 118 Ca -0.29 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.64 2hfn h GLY 118 CO 0.38 0.00 -0.37 0.69 0.00 0.00 0.00 176.54 177.25 2hfn n PHE 119 N -3.02 -0.82 0.50 5.60 3.72 -1.26 -5.05 117.46 117.13 2hfn n PHE 119 Ca 0.01 -2.42 0.12 0.00 -0.05 0.00 0.00 57.45 55.10 2hfn n PHE 119 Cb 0.29 0.30 0.14 0.00 -0.94 0.00 0.00 39.48 39.27 2hfn n PHE 119 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2hfn h THR 120 N 1.94 0.00 -3.22 4.37 1.03 -1.89 -3.25 112.91 111.90 2hfn h THR 120 Ca -0.21 -0.56 -0.59 0.00 -0.01 0.00 0.00 66.41 65.03 2hfn h THR 120 Cb 1.06 1.12 -0.08 0.00 -1.07 0.00 0.00 68.15 69.18 2hfn h THR 120 CO 0.31 0.00 -0.24 0.42 -0.01 0.00 0.00 175.52 176.00 2hfn s THR 121 N -3.20 5.21 -0.07 0.00 -4.23 -1.26 -4.81 115.64 107.28 2hfn s THR 121 Ca 0.05 0.74 -0.30 0.00 -1.18 0.00 0.00 61.69 61.01 2hfn s THR 121 Cb 0.13 -3.71 -0.05 0.00 1.34 0.00 0.00 72.50 70.22 2hfn s THR 121 CO 0.74 0.42 1.52 -0.22 -0.54 0.00 0.00 174.62 176.54 2hfn s LEU 122 N 0.11 4.29 -0.38 4.79 2.96 -1.26 -4.97 118.68 124.22 2hfn s LEU 122 Ca 0.21 2.09 0.01 0.00 -0.22 0.00 0.00 54.13 56.22 2hfn s LEU 122 Cb -0.15 -3.54 0.12 0.00 0.50 0.00 0.00 46.19 43.13 2hfn s LEU 122 CO 0.08 -0.86 0.18 -0.13 -1.32 0.00 0.00 176.35 174.31 2hfn s ARG 123 N 3.65 0.96 0.43 1.98 0.52 -1.26 -4.82 118.95 120.40 2hfn s ARG 123 Ca 0.67 -1.55 0.19 0.00 -0.52 0.00 0.00 55.73 54.52 2hfn s ARG 123 Cb -0.30 -2.06 1.12 0.00 0.52 0.00 0.00 34.95 34.24 2hfn s ARG 123 CO 0.25 -1.10 1.86 -1.35 0.02 0.00 0.00 175.30 174.98 2hfn h PRO 124 N 7.30 0.35 0.00 3.54 0.11 -1.93 0.49 132.00 141.86 2hfn h PRO 124 Ca -0.05 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2hfn h PRO 124 Cb 0.97 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2hfn h PRO 124 CO 0.45 0.23 0.13 0.77 -0.21 0.00 0.00 178.00 179.37 2hfn h SER 125 N 0.36 0.00 -0.33 -2.05 0.02 -1.98 -2.04 113.55 107.54 2hfn h SER 125 Ca 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 2hfn h SER 125 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2hfn h SER 125 CO -0.16 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.53 2hfn n ALA 126 N -1.85 2.43 -2.65 3.77 0.00 0.16 -4.95 120.51 117.42 2hfn n ALA 126 Ca -0.02 -0.93 -0.20 0.00 0.00 0.00 0.00 53.44 52.29 2hfn n ALA 126 Cb 0.17 -0.88 -0.13 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.58 0.91 0.68 0.00 -1.94 -0.77 -4.73 119.30 111.87 2hfn s MET 127 Ca 0.37 -0.69 -0.05 0.00 -1.71 0.00 0.00 55.69 53.62 2hfn s MET 127 Cb 0.22 -0.90 0.07 0.00 2.01 0.00 0.00 34.83 36.23 2hfn s MET 127 CO 0.31 0.22 0.97 0.16 -0.01 0.00 0.00 175.02 176.68 2hfn s ASP 128 N -0.99 4.81 0.28 3.03 3.84 -1.26 -4.82 116.67 121.56 2hfn s ASP 128 Ca 0.01 0.27 0.01 0.00 -0.00 0.00 0.00 52.55 52.84 2hfn s ASP 128 Cb -0.07 -0.93 0.57 0.00 -1.38 0.00 0.00 42.92 41.11 2hfn s ASP 128 CO 0.01 -1.56 1.79 -0.65 -0.00 0.00 0.00 175.17 174.76 2hfn h PRO 129 N -0.48 0.75 -0.52 2.11 0.11 -1.97 1.00 132.00 133.00 2hfn h PRO 129 Ca -0.43 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 2hfn h PRO 129 Cb 1.30 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2hfn h PRO 129 CO 0.56 0.50 0.21 1.49 -0.21 0.00 0.00 178.00 180.54 2hfn h GLU 130 N 0.78 0.77 -0.51 1.05 4.22 -1.98 -0.80 114.58 118.11 2hfn h GLU 130 Ca 0.49 -0.14 -0.10 0.00 0.08 0.00 0.00 59.36 59.69 2hfn h GLU 130 Cb 0.64 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2hfn h GLU 130 CO -0.33 0.68 -0.09 1.96 -2.18 0.00 0.00 179.01 179.05 2hfn h GLN 131 N 0.69 0.96 0.05 1.92 4.20 -1.71 -1.11 115.11 120.11 2hfn h GLN 131 Ca 0.17 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.53 2hfn h GLN 131 Cb 0.19 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 2hfn h GLN 131 CO -0.01 1.02 -0.04 0.00 -0.67 0.00 0.00 178.83 179.12 2hfn h LEU 133 N -0.10 0.19 -0.53 0.00 5.85 -1.01 -1.51 115.31 118.19 2hfn h LEU 133 Ca 0.00 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 2hfn h LEU 133 Cb 0.10 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2hfn h LEU 133 CO -0.01 0.18 0.29 0.78 -0.34 0.00 0.00 178.44 179.34 2hfn h ASN 134 N 0.18 0.67 -0.22 1.25 2.35 -1.09 0.88 115.58 119.59 2hfn h ASN 134 Ca 0.06 -0.10 0.03 0.00 -0.55 0.00 0.00 56.30 55.74 2hfn h ASN 134 Cb 0.03 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 2hfn h ASN 134 CO -0.01 0.57 0.06 0.15 -1.65 0.00 0.00 177.43 176.55 2hfn h PHE 135 N 0.71 0.10 -0.59 1.19 3.04 -0.93 -0.21 116.94 120.25 2hfn h PHE 135 Ca 0.19 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.08 2hfn h PHE 135 Cb 0.06 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.53 2hfn h PHE 135 CO -0.01 0.04 0.09 -0.07 -2.02 0.00 0.00 178.31 176.34 2hfn h LEU 136 N 0.15 0.91 -0.40 0.59 3.38 -0.71 -0.29 115.31 118.94 2hfn h LEU 136 Ca 0.10 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2hfn h LEU 136 Cb 0.09 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2hfn h LEU 136 CO -0.12 0.92 0.15 -0.07 0.09 0.00 0.00 178.44 179.41 2hfn h LEU 137 N 0.91 0.56 -0.37 1.67 3.38 -0.63 -2.12 115.31 118.70 2hfn h LEU 137 Ca 0.18 -0.18 -0.17 0.00 0.09 0.00 0.00 57.88 57.81 2hfn h LEU 137 Cb 0.40 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2hfn h LEU 137 CO 0.01 0.59 -0.44 0.44 0.09 0.00 0.00 178.44 179.12 2hfn h ASP 138 N 0.51 0.98 0.24 -0.43 3.32 -0.70 -2.41 116.42 117.91 2hfn h ASP 138 Ca 0.13 -0.47 -0.14 0.00 0.02 0.00 0.00 57.03 56.57 2hfn h ASP 138 Cb 0.20 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2hfn h ASP 138 CO -0.01 1.27 -0.52 -0.29 -1.72 0.00 0.00 179.24 177.97 2hfn h ILE 139 N 0.72 1.35 -0.78 0.35 2.10 -1.08 -2.56 117.51 117.61 2hfn h ILE 139 Ca 0.04 -1.79 0.01 0.00 1.08 0.00 0.00 64.86 64.20 2hfn h ILE 139 Cb 1.04 1.84 -0.04 0.00 -1.09 0.00 0.00 36.82 38.57 2hfn h ILE 139 CO 0.10 0.54 0.51 0.00 -1.08 0.00 0.00 178.15 178.22 2hfn h ALA 140 N 1.20 0.99 -0.19 0.18 0.00 -1.29 -2.54 119.26 117.61 2hfn h ALA 140 Ca 0.01 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 2hfn h ALA 140 Cb 1.01 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2hfn h ALA 140 CO 0.09 0.41 -0.46 1.57 0.00 0.00 0.00 179.25 180.86 2hfn h LYS 141 N 1.06 0.47 -0.00 0.00 2.10 -1.18 -2.95 116.57 116.06 2hfn h LYS 141 Ca 0.28 -0.26 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 2hfn h LYS 141 Cb -0.11 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.24 2hfn h LYS 141 CO -0.06 0.83 -0.06 0.44 -2.00 0.00 0.00 179.45 178.61 2hfn n ILE 142 N -3.99 0.00 1.06 0.07 -6.64 -0.99 -5.12 119.36 103.74 2hfn n ILE 142 Ca -0.02 -0.07 0.12 0.00 -1.77 0.00 0.00 62.75 61.02 2hfn n ILE 142 Cb 0.54 -0.15 0.15 0.00 -1.44 0.00 0.00 39.64 38.73 2hfn n ILE 142 CO 0.00 0.00 0.00 -1.22 -1.77 0.00 0.00 176.55 173.56