#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfa h GLU 10 N 0.00 0.97 -0.58 2.12 4.81 -2.06 -2.55 114.58 117.29 3hfa h GLU 10 Ca 0.00 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.03 3hfa h GLU 10 Cb 0.00 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 3hfa h GLU 10 CO 0.00 0.75 0.10 0.37 -0.73 0.00 0.00 179.01 179.50 3hfa h GLN 11 N 0.94 0.95 -0.74 1.92 4.15 -2.06 -2.89 115.11 117.39 3hfa h GLN 11 Ca 0.24 -0.25 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 3hfa h GLN 11 Cb 0.08 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 3hfa h GLN 11 CO -0.03 0.90 0.39 0.00 -1.93 0.00 0.00 178.83 178.16 3hfa h ALA 12 N 1.01 0.95 -0.69 3.38 0.00 -1.94 -1.72 119.26 120.24 3hfa h ALA 12 Ca 0.18 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3hfa h ALA 12 Cb 0.41 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3hfa h ALA 12 CO 0.01 0.48 0.22 1.98 0.00 0.00 0.00 179.25 181.95 3hfa h MET 13 N 1.03 1.06 -0.74 0.00 4.05 -1.45 -1.91 114.93 116.97 3hfa h MET 13 Ca 0.26 -0.21 -0.05 0.00 -0.28 0.00 0.00 59.70 59.42 3hfa h MET 13 Cb 0.07 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 30.68 3hfa h MET 13 CO -0.04 0.90 0.28 0.00 0.23 0.00 0.00 176.91 178.28 3hfa h ARG 14 N 1.02 1.11 -0.22 0.39 3.08 -1.18 -1.08 114.38 117.50 3hfa h ARG 14 Ca 0.23 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 3hfa h ARG 14 Cb 0.28 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 3hfa h ARG 14 CO -0.01 0.91 -0.16 0.93 -1.07 0.00 0.00 179.97 180.57 3hfa h GLU 15 N 1.08 0.49 -1.01 0.04 5.08 -0.93 0.25 114.58 119.59 3hfa h GLU 15 Ca 0.25 -0.24 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3hfa h GLU 15 Cb 0.23 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 3hfa h GLU 15 CO -0.02 0.80 0.66 0.00 -1.00 0.00 0.00 179.01 179.45 3hfa h ARG 16 N 0.18 1.21 0.00 2.33 3.08 -1.30 0.18 114.38 120.06 3hfa h ARG 16 Ca 0.04 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 3hfa h ARG 16 Cb 0.68 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3hfa h ARG 16 CO 0.04 0.80 -0.31 1.03 -1.07 0.00 0.00 179.97 180.46 3hfa h SER 17 N 1.24 0.00 0.23 7.04 0.87 -0.86 -2.23 113.55 119.84 3hfa h SER 17 Ca 0.41 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.67 3hfa h SER 17 Cb 0.06 0.00 0.04 0.00 -0.44 0.00 0.00 62.40 62.05 3hfa h SER 17 CO -0.14 0.31 -1.32 1.05 -0.53 0.00 0.00 176.83 176.20 3hfa h GLU 18 N 0.00 0.48 -0.41 2.24 4.11 0.88 -2.82 114.58 119.06 3hfa h GLU 18 Ca -0.00 -0.83 0.02 0.00 0.07 0.00 0.00 59.36 58.62 3hfa h GLU 18 Cb 0.57 0.31 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 3hfa h GLU 18 CO 0.04 1.40 0.25 1.25 0.07 0.00 0.00 179.01 182.01 3hfa h LEU 19 N 0.01 0.40 -0.11 3.06 6.46 -0.61 -1.71 115.31 122.81 3hfa h LEU 19 Ca -0.23 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.51 3hfa h LEU 19 Cb 2.04 -0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 41.88 3hfa h LEU 19 CO 0.25 0.29 0.00 0.00 -0.62 0.00 0.00 178.44 178.35 3hfa h ALA 20 N 1.18 0.15 -0.60 1.25 0.00 -1.51 -2.68 119.26 117.06 3hfa h ALA 20 Ca 0.16 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3hfa h ALA 20 Cb 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3hfa h ALA 20 CO -0.07 -0.16 0.33 -0.09 0.00 0.00 0.00 179.25 179.26 3hfa h ARG 21 N -0.07 0.61 -0.60 0.00 2.43 -1.39 -0.50 114.38 114.86 3hfa h ARG 21 Ca 0.03 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3hfa h ARG 21 Cb 0.36 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 3hfa h ARG 21 CO 0.01 0.41 0.25 0.87 -1.51 0.00 0.00 179.97 179.99 3hfa h LYS 22 N 0.63 0.89 -0.59 0.20 1.57 -1.31 -0.60 116.57 117.36 3hfa h LYS 22 Ca 0.26 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3hfa h LYS 22 Cb 0.13 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 3hfa h LYS 22 CO -0.15 0.75 0.24 0.78 -0.57 0.00 0.00 179.45 180.49 3hfa h GLY 23 N 0.83 0.95 1.14 3.86 0.00 -1.10 -1.08 103.07 107.67 3hfa h GLY 23 Ca 0.20 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 46.96 3hfa h GLY 23 CO -0.02 0.48 0.23 -2.22 0.00 0.00 0.00 176.54 175.01 3hfa h ILE 24 N 0.82 1.25 -0.65 2.60 2.04 -0.71 -2.54 117.51 120.32 3hfa h ILE 24 Ca 0.20 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 3hfa h ILE 24 Cb 0.20 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 3hfa h ILE 24 CO -0.02 0.34 0.32 0.00 0.00 0.00 0.00 178.15 178.79 3hfa h ALA 25 N 1.20 1.34 0.00 1.87 0.00 -0.61 -2.05 119.26 121.00 3hfa h ALA 25 Ca 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hfa h ALA 25 Cb 0.28 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hfa h ALA 25 CO -0.01 0.52 0.00 -2.13 0.00 0.00 0.00 179.25 177.63 3hfa n ARG 26 N -4.35 0.04 -2.52 0.00 0.63 -0.45 -3.20 116.66 106.80 3hfa n ARG 26 Ca 0.06 0.21 -0.23 0.00 -0.92 0.00 0.00 57.85 56.97 3hfa n ARG 26 Cb 0.13 -1.56 0.04 0.00 0.45 0.00 0.00 32.46 31.52 3hfa n ARG 26 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3hfa s ALA 27 N -3.04 3.63 0.63 5.13 0.00 -1.10 -4.88 121.76 122.13 3hfa s ALA 27 Ca 0.09 -1.15 -0.13 0.00 0.00 0.00 0.00 51.96 50.76 3hfa s ALA 27 Cb 0.12 -2.27 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 3hfa s ALA 27 CO 0.36 -0.89 1.05 0.15 0.00 0.00 0.00 175.76 176.43 3hfa s LYS 28 N -4.90 3.26 0.29 0.00 1.02 -1.26 -1.74 119.74 116.41 3hfa s LYS 28 Ca 0.57 1.03 -0.03 0.00 0.02 0.00 0.00 55.97 57.55 3hfa s LYS 28 Cb -0.10 -2.03 -0.05 0.00 -0.52 0.00 0.00 37.83 35.13 3hfa s LYS 28 CO 0.41 -0.84 0.53 -1.12 -0.92 0.00 0.00 175.35 173.41 3hfa s SER 29 N -3.38 6.40 -0.01 2.83 0.01 -1.26 -4.29 113.70 114.01 3hfa s SER 29 Ca 0.60 0.62 -0.01 0.00 1.31 0.00 0.00 55.95 58.47 3hfa s SER 29 Cb -0.14 -2.11 -0.00 0.00 0.21 0.00 0.00 66.02 63.98 3hfa s SER 29 CO 0.45 -0.20 0.03 -0.69 0.41 0.00 0.00 173.24 173.24 3hfa s VAL 30 N -2.11 0.03 0.07 3.43 1.01 0.45 -1.69 120.40 121.58 3hfa s VAL 30 Ca 0.42 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.20 3hfa s VAL 30 Cb -0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 3hfa s VAL 30 CO 0.31 -0.14 -0.15 0.68 0.00 0.00 0.00 175.10 175.80 3hfa s VAL 31 N -0.42 1.21 -0.06 2.92 -7.23 -0.01 -0.82 120.40 115.99 3hfa s VAL 31 Ca -0.05 -1.26 0.03 0.00 -1.81 0.00 0.00 61.98 58.89 3hfa s VAL 31 Cb -0.03 -1.13 0.01 0.00 0.56 0.00 0.00 36.38 35.78 3hfa s VAL 31 CO -0.00 -0.13 -0.14 0.00 -0.31 0.00 0.00 175.10 174.52 3hfa s ALA 32 N -1.14 1.37 -0.05 1.32 0.00 -0.23 -1.39 121.76 121.64 3hfa s ALA 32 Ca 0.00 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.47 3hfa s ALA 32 Cb -0.09 -0.55 0.01 0.00 0.00 0.00 0.00 23.12 22.49 3hfa s ALA 32 CO 0.02 0.18 -0.12 -0.51 0.00 0.00 0.00 175.76 175.32 3hfa s LEU 33 N 0.42 1.72 0.41 0.00 1.02 0.05 -0.92 118.68 121.37 3hfa s LEU 33 Ca -0.11 -0.29 -0.24 0.00 0.02 0.00 0.00 54.13 53.51 3hfa s LEU 33 Cb -0.14 -0.80 -0.08 0.00 0.02 0.00 0.00 46.19 45.19 3hfa s LEU 33 CO 0.03 0.06 1.12 0.00 0.02 0.00 0.00 176.35 177.58 3hfa s ALA 34 N 0.46 3.10 0.33 4.21 0.00 -0.39 -0.64 121.76 128.84 3hfa s ALA 34 Ca -0.10 0.86 -0.08 0.00 0.00 0.00 0.00 51.96 52.63 3hfa s ALA 34 Cb -0.14 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.66 3hfa s ALA 34 CO 0.03 -0.42 0.55 1.52 0.00 0.00 0.00 175.76 177.44 3hfa s TYR 35 N -1.52 0.68 0.26 0.00 -0.85 0.14 -4.63 117.35 111.44 3hfa s TYR 35 Ca 0.58 -1.04 -0.04 0.00 -0.52 0.00 0.00 57.07 56.05 3hfa s TYR 35 Cb -0.27 0.20 0.35 0.00 0.38 0.00 0.00 41.96 42.61 3hfa s TYR 35 CO 0.34 -1.20 1.92 0.00 -1.52 0.00 0.00 175.55 175.08 3hfa h ALA 36 N 2.12 1.35 -0.01 9.51 0.00 -1.60 -2.49 119.26 128.13 3hfa h ALA 36 Ca -0.29 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3hfa h ALA 36 Cb 1.24 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3hfa h ALA 36 CO 0.38 0.57 -0.09 0.41 0.00 0.00 0.00 179.25 180.52 3hfa n GLY 37 N -1.38 -0.20 0.00 0.00 0.00 -1.26 -5.00 105.19 97.35 3hfa n GLY 37 Ca 0.13 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3hfa n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hfa n GLY 38 N 1.23 0.30 3.39 -0.02 0.00 -0.94 -0.85 105.19 108.31 3hfa n GLY 38 Ca 0.17 -1.16 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 3hfa n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hfa s VAL 39 N -4.00 2.80 -0.15 1.61 1.01 -0.81 0.28 120.40 121.13 3hfa s VAL 39 Ca 0.00 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 3hfa s VAL 39 Cb 0.00 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 3hfa s VAL 39 CO 0.00 0.57 -0.00 -0.22 0.00 0.00 0.00 175.10 175.45 3hfa s LEU 40 N -0.29 3.47 -0.15 3.92 2.96 0.19 -0.48 118.68 128.31 3hfa s LEU 40 Ca 0.01 -0.03 -0.03 0.00 -0.22 0.00 0.00 54.13 53.87 3hfa s LEU 40 Cb -0.13 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 3hfa s LEU 40 CO 0.03 0.20 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.83 3hfa s PHE 41 N 0.19 2.96 -0.05 5.38 0.08 0.06 -0.77 117.98 125.83 3hfa s PHE 41 Ca 0.00 -0.43 -0.01 0.00 0.12 0.00 0.00 56.93 56.62 3hfa s PHE 41 Cb -0.13 -1.93 0.03 0.00 -0.57 0.00 0.00 43.02 40.41 3hfa s PHE 41 CO 0.02 -0.11 0.00 0.08 -0.10 0.00 0.00 175.22 175.11 3hfa s VAL 42 N 0.42 0.30 0.00 -0.44 1.01 -0.48 -2.23 120.40 118.99 3hfa s VAL 42 Ca -0.06 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.08 3hfa s VAL 42 Cb -0.15 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.78 3hfa s VAL 42 CO 0.03 0.22 -0.14 0.00 0.00 0.00 0.00 175.10 175.22 3hfa s ALA 43 N 1.64 1.16 -0.17 5.51 0.00 -0.57 -0.83 121.76 128.49 3hfa s ALA 43 Ca -0.01 -0.66 -0.29 0.00 0.00 0.00 0.00 51.96 51.01 3hfa s ALA 43 Cb -0.13 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 3hfa s ALA 43 CO -0.03 0.27 1.87 -1.21 0.00 0.00 0.00 175.76 176.65 3hfa s GLU 44 N -0.55 3.65 -0.26 0.00 2.02 -0.68 -1.18 118.70 121.69 3hfa s GLU 44 Ca 0.04 1.94 -0.01 0.00 0.02 0.00 0.00 54.97 56.96 3hfa s GLU 44 Cb -0.06 -4.17 0.15 0.00 0.10 0.00 0.00 34.13 30.15 3hfa s GLU 44 CO -0.00 -1.49 0.43 1.21 0.02 0.00 0.00 175.26 175.43 3hfa s ASN 45 N 5.53 -0.11 0.18 -0.19 3.84 -0.09 -4.67 114.94 119.43 3hfa s ASN 45 Ca 0.84 0.24 -0.03 0.00 0.21 0.00 0.00 52.86 54.11 3hfa s ASN 45 Cb -0.31 1.35 0.06 0.00 -0.55 0.00 0.00 41.25 41.80 3hfa s ASN 45 CO 0.34 -0.30 1.45 -0.65 -2.79 0.00 0.00 177.10 175.15 3hfa h PRO 46 N 8.14 0.51 -6.93 0.43 0.11 -1.79 -3.20 132.00 129.28 3hfa h PRO 46 Ca -0.17 -0.37 -0.56 0.00 0.11 0.00 0.00 66.00 65.00 3hfa h PRO 46 Cb 1.15 0.06 0.14 0.00 0.11 0.00 0.00 31.00 32.46 3hfa h PRO 46 CO 0.26 0.99 0.48 0.45 -0.21 0.00 0.00 178.00 179.98 3hfa n SER 47 N -3.90 2.30 0.09 -2.05 2.88 -1.26 -4.77 113.62 106.91 3hfa n SER 47 Ca -0.04 1.00 -0.18 0.00 -1.33 0.00 0.00 58.87 58.31 3hfa n SER 47 Cb 0.66 -1.52 -0.14 0.00 -0.75 0.00 0.00 64.21 62.46 3hfa n SER 47 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 3hfa h ARG 48 N 1.50 0.31 0.00 -1.46 0.11 -1.93 -3.42 114.38 109.50 3hfa h ARG 48 Ca -0.49 -0.53 0.00 0.00 0.10 0.00 0.00 59.98 59.06 3hfa h ARG 48 Cb 1.31 0.20 0.00 0.00 1.11 0.00 0.00 29.97 32.59 3hfa h ARG 48 CO 0.57 1.21 -0.49 -1.13 0.10 0.00 0.00 179.97 180.23 3hfa n SER 49 N -3.53 2.45 -4.65 0.08 3.41 -1.26 -5.00 113.62 105.12 3hfa n SER 49 Ca -0.14 -0.22 -0.41 0.00 -0.26 0.00 0.00 58.87 57.84 3hfa n SER 49 Cb 1.05 0.92 -0.05 0.00 -0.26 0.00 0.00 64.21 65.87 3hfa n SER 49 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hfa s LEU 50 N -2.34 4.12 -0.02 1.04 1.43 -1.26 -5.04 118.68 116.62 3hfa s LEU 50 Ca 0.00 0.96 0.03 0.00 -1.03 0.00 0.00 54.13 54.09 3hfa s LEU 50 Cb 0.00 -3.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.13 3hfa s LEU 50 CO 0.00 -0.39 -0.09 -1.10 0.23 0.00 0.00 176.35 175.00 3hfa s GLN 51 N 2.33 2.55 0.00 1.70 -0.21 -1.26 -4.76 119.66 120.01 3hfa s GLN 51 Ca 0.33 -0.70 0.05 0.00 0.02 0.00 0.00 55.36 55.06 3hfa s GLN 51 Cb -0.16 -2.48 0.05 0.00 1.00 0.00 0.00 33.01 31.42 3hfa s GLN 51 CO 0.10 0.61 0.68 0.36 -2.12 0.00 0.00 175.29 174.93 3hfa n LYS 52 N 1.80 -0.15 -5.00 2.91 2.85 -1.26 -4.98 118.16 114.33 3hfa n LYS 52 Ca -0.16 -0.85 -0.27 0.00 -1.05 0.00 0.00 58.31 55.97 3hfa n LYS 52 Cb 0.53 -1.10 -0.15 0.00 -0.65 0.00 0.00 35.03 33.65 3hfa n LYS 52 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3hfa s ILE 53 N -0.46 1.70 0.03 0.58 1.01 -1.26 -1.07 121.20 121.72 3hfa s ILE 53 Ca 0.06 -0.97 -0.28 0.00 0.00 0.00 0.00 60.65 59.47 3hfa s ILE 53 Cb 0.05 -1.43 0.07 0.00 0.01 0.00 0.00 42.46 41.16 3hfa s ILE 53 CO 0.07 0.44 0.67 -0.55 0.00 0.00 0.00 174.94 175.56 3hfa s SER 54 N -0.62 -0.61 0.35 3.58 0.15 0.29 -5.00 113.70 111.85 3hfa s SER 54 Ca 0.08 0.42 -0.27 0.00 0.70 0.00 0.00 55.95 56.88 3hfa s SER 54 Cb -0.08 0.55 -0.09 0.00 -1.71 0.00 0.00 66.02 64.68 3hfa s SER 54 CO -0.00 -0.73 1.13 -0.70 1.20 0.00 0.00 173.24 174.13 3hfa s GLU 55 N -2.20 4.34 -0.11 5.44 2.12 -1.26 -0.47 118.70 126.56 3hfa s GLU 55 Ca -0.06 1.79 -0.05 0.00 0.36 0.00 0.00 54.97 57.01 3hfa s GLU 55 Cb -0.00 -2.89 -0.05 0.00 0.26 0.00 0.00 34.13 31.45 3hfa s GLU 55 CO 0.01 -0.06 -0.14 1.28 -0.54 0.00 0.00 175.26 175.81 3hfa n LEU 56 N 0.56 0.87 0.00 2.70 4.77 -0.36 -4.83 117.00 120.71 3hfa n LEU 56 Ca 0.02 0.13 -0.10 0.00 -0.03 0.00 0.00 56.01 56.03 3hfa n LEU 56 Cb 0.46 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 3hfa n LEU 56 CO 0.52 0.25 0.18 0.00 -1.33 0.00 0.00 177.39 177.00 3hfa n TYR 57 N -3.49 -1.35 -0.38 -1.77 9.36 -0.96 -4.75 117.16 113.82 3hfa n TYR 57 Ca -0.22 -1.66 -0.07 0.00 3.32 0.00 0.00 57.90 59.27 3hfa n TYR 57 Cb 0.66 0.46 -0.04 0.00 -0.63 0.00 0.00 39.34 39.79 3hfa n TYR 57 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3hfa n ASP 58 N -1.68 -0.84 -0.59 2.98 8.00 -1.26 -2.01 116.55 121.15 3hfa n ASP 58 Ca -0.01 1.63 0.06 0.00 0.71 0.00 0.00 54.79 57.18 3hfa n ASP 58 Cb 0.43 -0.27 0.16 0.00 -0.02 0.00 0.00 41.12 41.42 3hfa n ASP 58 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hfa n ARG 59 N -5.23 2.84 -5.05 -1.24 5.12 -1.26 -0.70 116.66 111.15 3hfa n ARG 59 Ca 0.05 -2.18 -0.30 0.00 -1.93 0.00 0.00 57.85 53.49 3hfa n ARG 59 Cb 0.29 -1.37 -0.17 0.00 -1.16 0.00 0.00 32.46 30.05 3hfa n ARG 59 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3hfa s VAL 60 N -1.49 1.79 0.36 1.55 1.01 -0.85 -1.97 120.40 120.80 3hfa s VAL 60 Ca 0.25 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.42 3hfa s VAL 60 Cb 0.16 -1.55 -0.07 0.00 0.00 0.00 0.00 36.38 34.92 3hfa s VAL 60 CO 0.12 0.50 -0.01 -0.83 0.00 0.00 0.00 175.10 174.87 3hfa s GLY 61 N 0.32 2.25 -0.01 4.51 0.00 0.02 -1.22 107.32 113.18 3hfa s GLY 61 Ca -0.15 -2.15 0.00 0.00 0.00 0.00 0.00 44.72 42.43 3hfa s GLY 61 CO 0.06 -1.99 -0.00 -0.12 0.00 0.00 0.00 173.10 171.05 3hfa s PHE 62 N -2.85 0.08 -0.00 1.90 5.36 0.38 -1.57 117.98 121.28 3hfa s PHE 62 Ca 0.34 0.01 -0.04 0.00 -0.96 0.00 0.00 56.93 56.28 3hfa s PHE 62 Cb 0.07 -0.10 -0.00 0.00 -0.34 0.00 0.00 43.02 42.65 3hfa s PHE 62 CO 0.16 -0.02 0.07 0.00 -1.46 0.00 0.00 175.22 173.97 3hfa s ALA 63 N 0.21 -0.16 0.02 11.12 0.00 -0.53 -0.55 121.76 131.87 3hfa s ALA 63 Ca -0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 51.96 51.77 3hfa s ALA 63 Cb -0.03 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 3hfa s ALA 63 CO -0.01 -0.14 0.06 0.00 0.00 0.00 0.00 175.76 175.68 3hfa s ALA 64 N -0.91 -0.05 0.09 0.00 0.00 -0.23 -0.34 121.76 120.32 3hfa s ALA 64 Ca -0.10 -0.48 0.08 0.00 0.00 0.00 0.00 51.96 51.46 3hfa s ALA 64 Cb -0.06 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 3hfa s ALA 64 CO 0.00 -0.25 -0.20 0.00 0.00 0.00 0.00 175.76 175.31 3hfa s ALA 65 N -2.01 1.76 0.00 0.00 0.00 -0.60 -4.86 121.76 116.05 3hfa s ALA 65 Ca -0.10 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.65 3hfa s ALA 65 Cb -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.82 3hfa s ALA 65 CO -0.02 0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.50 3hfa n GLY 66 N 1.19 0.24 3.66 0.00 0.00 -1.26 -1.53 105.19 107.49 3hfa n GLY 66 Ca -0.19 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.44 3hfa n GLY 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hfa s LYS 67 N -0.21 4.19 0.11 1.61 2.20 -0.48 -4.90 119.74 122.26 3hfa s LYS 67 Ca 0.00 1.52 -0.25 0.00 -0.36 0.00 0.00 55.97 56.88 3hfa s LYS 67 Cb 0.00 -3.75 -0.10 0.00 -1.51 0.00 0.00 37.83 32.47 3hfa s LYS 67 CO 0.00 -0.75 1.68 0.35 -0.36 0.00 0.00 175.35 176.27 3hfa h PHE 68 N 8.17 -0.36 -0.60 4.03 3.57 -1.95 -1.74 116.94 128.07 3hfa h PHE 68 Ca -0.24 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.38 3hfa h PHE 68 Cb 1.09 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.95 3hfa h PHE 68 CO 0.80 -0.21 0.41 -2.95 -2.23 0.00 0.00 178.31 174.13 3hfa h ASN 69 N -0.27 0.27 0.02 0.41 7.08 -1.98 0.12 115.58 121.22 3hfa h ASN 69 Ca 0.03 0.01 -0.11 0.00 -3.08 0.00 0.00 56.30 53.15 3hfa h ASN 69 Cb 0.29 -0.05 0.01 0.00 -2.08 0.00 0.00 38.32 36.50 3hfa h ASN 69 CO -0.09 0.15 -0.43 -0.33 -2.08 0.00 0.00 177.43 174.66 3hfa h GLU 70 N 0.29 0.25 0.00 4.14 5.08 -1.79 -2.40 114.58 120.15 3hfa h GLU 70 Ca 0.28 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 3hfa h GLU 70 Cb 0.71 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 3hfa h GLU 70 CO -0.07 1.04 -0.25 0.27 -1.00 0.00 0.00 179.01 179.00 3hfa h PHE 71 N -0.40 0.00 -0.43 4.33 -5.15 -0.99 -2.65 116.94 111.65 3hfa h PHE 71 Ca -0.06 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.59 3hfa h PHE 71 Cb 1.21 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.37 3hfa h PHE 71 CO 0.18 0.25 -0.21 0.22 -2.00 0.00 0.00 178.31 176.75 3hfa h ASP 72 N 0.00 0.93 -0.38 -0.68 3.58 -0.84 0.15 116.42 119.19 3hfa h ASP 72 Ca -0.00 -0.40 0.08 0.00 0.42 0.00 0.00 57.03 57.12 3hfa h ASP 72 Cb 0.97 -0.26 -0.07 0.00 1.72 0.00 0.00 39.33 41.69 3hfa h ASP 72 CO 0.03 1.13 -0.09 0.78 -2.88 0.00 0.00 179.24 178.21 3hfa h ASN 73 N 0.73 -0.34 -0.49 2.28 2.35 -1.22 -0.76 115.58 118.14 3hfa h ASN 73 Ca 0.10 0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.89 3hfa h ASN 73 Cb 0.78 0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.36 3hfa h ASN 73 CO 0.06 -0.12 0.06 -0.07 -1.65 0.00 0.00 177.43 175.72 3hfa h LEU 74 N 0.00 0.83 -0.13 1.61 3.38 -1.12 -0.34 115.31 119.54 3hfa h LEU 74 Ca 0.18 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.99 3hfa h LEU 74 Cb 0.28 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3hfa h LEU 74 CO -0.39 0.86 -0.04 -0.09 0.09 0.00 0.00 178.44 178.87 3hfa h ARG 75 N 0.83 -0.02 -0.64 1.13 2.43 -0.28 0.02 114.38 117.84 3hfa h ARG 75 Ca 0.17 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.28 3hfa h ARG 75 Cb 0.40 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 3hfa h ARG 75 CO 0.01 -0.01 0.15 0.00 -1.51 0.00 0.00 179.97 178.61 3hfa h ARG 76 N -0.02 1.01 -0.78 0.20 3.08 -0.84 -1.64 114.38 115.39 3hfa h ARG 76 Ca 0.07 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.84 3hfa h ARG 76 Cb 0.12 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3hfa h ARG 76 CO -0.14 0.90 0.31 0.78 -1.07 0.00 0.00 179.97 180.74 3hfa h GLY 77 N 1.05 1.25 0.92 0.04 0.00 -0.79 -1.35 103.07 104.20 3hfa h GLY 77 Ca 0.20 -0.69 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 3hfa h GLY 77 CO 0.00 0.65 0.07 -1.33 0.00 0.00 0.00 176.54 175.93 3hfa h GLY 78 N 1.13 0.65 1.01 4.60 0.00 -0.63 -0.51 103.07 109.32 3hfa h GLY 78 Ca 0.26 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 3hfa h GLY 78 CO -0.02 0.39 0.37 -2.22 0.00 0.00 0.00 176.54 175.06 3hfa h ILE 79 N 0.45 1.23 -0.43 2.60 2.04 -1.17 0.11 117.51 122.34 3hfa h ILE 79 Ca 0.11 -0.61 0.01 0.00 1.00 0.00 0.00 64.86 65.38 3hfa h ILE 79 Cb 0.34 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 3hfa h ILE 79 CO 0.00 0.26 0.27 -0.61 0.00 0.00 0.00 178.15 178.07 3hfa h GLN 80 N 1.01 0.53 -0.05 2.37 5.75 -1.05 -0.49 115.11 123.17 3hfa h GLN 80 Ca 0.25 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.72 3hfa h GLN 80 Cb 0.08 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.50 3hfa h GLN 80 CO -0.04 0.35 0.02 0.35 -2.65 0.00 0.00 178.83 176.86 3hfa h PHE 81 N 0.54 0.08 0.15 3.99 3.57 -0.52 -2.11 116.94 122.65 3hfa h PHE 81 Ca 0.16 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 3hfa h PHE 81 Cb -0.03 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.69 3hfa h PHE 81 CO -0.06 0.23 -0.07 0.00 -2.23 0.00 0.00 178.31 176.18 3hfa h ALA 82 N 0.84 -0.20 -0.64 2.41 0.00 -0.63 -0.84 119.26 120.20 3hfa h ALA 82 Ca 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3hfa h ALA 82 Cb 0.19 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3hfa h ALA 82 CO -0.00 -0.59 0.34 -0.44 0.00 0.00 0.00 179.25 178.55 3hfa h ASP 83 N -0.24 0.80 -0.16 0.00 3.32 -1.10 -0.25 116.42 118.80 3hfa h ASP 83 Ca -0.02 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 3hfa h ASP 83 Cb 0.19 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3hfa h ASP 83 CO 0.03 0.66 0.02 0.74 -1.72 0.00 0.00 179.24 178.97 3hfa h THR 84 N 0.90 1.24 -0.16 0.35 2.02 -1.18 -1.98 112.91 114.10 3hfa h THR 84 Ca 0.23 -0.77 -0.00 0.00 0.77 0.00 0.00 66.41 66.64 3hfa h THR 84 Cb 0.05 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 3hfa h THR 84 CO -0.03 0.23 0.09 0.03 0.37 0.00 0.00 175.52 176.21 3hfa h ARG 85 N 0.04 0.21 -0.94 6.66 2.47 -0.68 -0.07 114.38 122.08 3hfa h ARG 85 Ca 0.05 -0.02 0.10 0.00 -1.26 0.00 0.00 59.98 58.84 3hfa h ARG 85 Cb 0.33 -0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 28.54 3hfa h ARG 85 CO 0.01 0.20 0.60 0.78 0.56 0.00 0.00 179.97 182.12 3hfa h GLY 86 N 0.17 1.41 1.40 0.04 0.00 -1.05 0.19 103.07 105.23 3hfa h GLY 86 Ca 0.06 -0.40 -0.25 0.00 0.00 0.00 0.00 47.33 46.74 3hfa h GLY 86 CO -0.01 0.22 -1.02 -1.82 0.00 0.00 0.00 176.54 173.91 3hfa h TYR 87 N 0.96 0.81 0.00 5.60 3.20 -1.00 -3.04 116.97 123.50 3hfa h TYR 87 Ca 0.44 -0.45 -0.16 0.00 3.14 0.00 0.00 58.73 61.70 3hfa h TYR 87 Cb 0.39 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 3hfa h TYR 87 CO -0.00 1.28 -0.75 0.00 -1.64 0.00 0.00 178.16 177.05 3hfa h ALA 88 N 0.57 0.71 -3.00 1.82 0.00 -0.41 -3.44 119.26 115.51 3hfa h ALA 88 Ca -0.11 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3hfa h ALA 88 Cb 1.67 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3hfa h ALA 88 CO 0.19 0.93 0.00 0.66 0.00 0.00 0.00 179.25 181.03 3hfa n TYR 89 N -3.57 0.00 -3.91 0.00 4.01 0.61 -5.08 117.16 109.21 3hfa n TYR 89 Ca -0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.65 3hfa n TYR 89 Cb 0.74 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.69 3hfa n TYR 89 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3hfa s ASP 90 N 0.43 0.20 0.25 7.72 2.15 -1.15 -4.96 116.67 121.31 3hfa s ASP 90 Ca 0.00 -0.69 -0.03 0.00 0.43 0.00 0.00 52.55 52.26 3hfa s ASP 90 Cb 0.00 0.29 0.49 0.00 -0.30 0.00 0.00 42.92 43.40 3hfa s ASP 90 CO 0.00 -0.66 1.74 0.03 -0.17 0.00 0.00 175.17 176.11 3hfa h ARG 91 N 3.00 0.49 0.00 4.34 3.08 -1.89 0.21 114.38 123.62 3hfa h ARG 91 Ca -0.34 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.68 3hfa h ARG 91 Cb 1.18 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3hfa h ARG 91 CO 0.57 0.32 0.00 0.54 -1.07 0.00 0.00 179.97 180.33 3hfa n ARG 92 N -4.95 0.02 0.00 0.04 5.12 -1.26 -1.58 116.66 114.05 3hfa n ARG 92 Ca 0.15 0.39 0.12 0.00 -1.93 0.00 0.00 57.85 56.59 3hfa n ARG 92 Cb 0.42 -1.55 0.30 0.00 -1.16 0.00 0.00 32.46 30.48 3hfa n ARG 92 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3hfa n ASP 93 N -1.58 0.47 -4.68 0.55 8.00 0.06 -4.81 116.55 114.55 3hfa n ASP 93 Ca 0.02 -0.20 -0.40 0.00 0.71 0.00 0.00 54.79 54.91 3hfa n ASP 93 Cb 0.09 0.16 -0.05 0.00 -0.02 0.00 0.00 41.12 41.30 3hfa n ASP 93 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hfa s VAL 94 N -2.97 4.97 0.13 2.53 1.01 -0.61 -5.01 120.40 120.44 3hfa s VAL 94 Ca 0.12 1.46 0.04 0.00 0.00 0.00 0.00 61.98 63.60 3hfa s VAL 94 Cb 0.18 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 3hfa s VAL 94 CO 0.67 0.12 -0.10 0.42 0.00 0.00 0.00 175.10 176.21 3hfa s THR 95 N 1.64 1.13 0.34 3.92 -4.23 -1.26 -4.98 115.64 112.20 3hfa s THR 95 Ca 0.36 -1.94 0.09 0.00 -1.18 0.00 0.00 61.69 59.02 3hfa s THR 95 Cb -0.17 -1.72 0.08 0.00 1.34 0.00 0.00 72.50 72.04 3hfa s THR 95 CO 0.14 -0.68 1.79 1.23 -0.54 0.00 0.00 174.62 176.56 3hfa h GLY 96 N 3.01 0.16 1.34 3.99 0.00 -1.93 -2.16 103.07 107.48 3hfa h GLY 96 Ca -0.37 -0.13 -0.08 0.00 0.00 0.00 0.00 47.33 46.75 3hfa h GLY 96 CO 0.60 0.12 -0.04 -0.09 0.00 0.00 0.00 176.54 177.13 3hfa h ARG 97 N 0.13 0.80 -0.28 4.80 2.43 -1.96 -1.23 114.38 119.06 3hfa h ARG 97 Ca 0.02 -0.23 -0.09 0.00 -0.81 0.00 0.00 59.98 58.87 3hfa h ARG 97 Cb 0.67 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 3hfa h ARG 97 CO 0.05 0.83 -0.16 0.37 -1.51 0.00 0.00 179.97 179.55 3hfa h GLN 98 N 0.73 0.61 -0.44 0.20 4.15 -1.84 -1.11 115.11 117.42 3hfa h GLN 98 Ca 0.14 -0.28 -0.05 0.00 0.77 0.00 0.00 58.65 59.23 3hfa h GLN 98 Cb 0.51 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.17 3hfa h GLN 98 CO 0.03 0.86 0.08 -0.07 -1.93 0.00 0.00 178.83 177.79 3hfa h LEU 99 N 0.35 0.70 -0.39 -2.39 3.38 -1.36 -2.08 115.31 113.51 3hfa h LEU 99 Ca 0.06 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.79 3hfa h LEU 99 Cb 0.68 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3hfa h LEU 99 CO 0.05 0.77 0.24 0.00 0.09 0.00 0.00 178.44 179.58 3hfa h ALA 100 N 0.95 0.50 -0.59 1.53 0.00 -1.15 -0.23 119.26 120.26 3hfa h ALA 100 Ca 0.14 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.12 3hfa h ALA 100 Cb 0.36 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 3hfa h ALA 100 CO 0.01 -0.09 0.22 -0.97 0.00 0.00 0.00 179.25 178.41 3hfa h ASN 101 N 0.48 0.22 0.19 0.00 -0.73 -1.11 -0.34 115.58 114.29 3hfa h ASN 101 Ca 0.15 0.08 -0.14 0.00 1.87 0.00 0.00 56.30 58.26 3hfa h ASN 101 Cb -0.00 0.06 -0.01 0.00 0.27 0.00 0.00 38.32 38.63 3hfa h ASN 101 CO -0.07 0.14 -0.52 1.62 -0.37 0.00 0.00 177.43 178.23 3hfa h VAL 102 N 0.40 1.34 -0.56 2.57 3.04 -0.78 -1.75 116.25 120.51 3hfa h VAL 102 Ca 0.30 -1.78 -0.10 0.00 -1.01 0.00 0.00 66.70 64.11 3hfa h VAL 102 Cb 0.36 1.81 -0.02 0.00 -2.01 0.00 0.00 31.29 31.43 3hfa h VAL 102 CO -0.30 0.54 -0.03 1.88 -1.01 0.00 0.00 177.57 178.65 3hfa h TYR 103 N 0.29 1.11 -0.04 3.17 0.05 -0.59 -0.23 116.97 120.73 3hfa h TYR 103 Ca 0.01 -0.20 0.02 0.00 0.05 0.00 0.00 58.73 58.61 3hfa h TYR 103 Cb 1.02 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 38.44 3hfa h TYR 103 CO 0.03 1.01 -0.09 0.00 -1.05 0.00 0.00 178.16 178.05 3hfa h ALA 104 N 0.96 -0.06 -0.54 3.88 0.00 -0.78 0.16 119.26 122.87 3hfa h ALA 104 Ca 0.16 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3hfa h ALA 104 Cb 0.58 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3hfa h ALA 104 CO 0.03 -0.57 0.35 0.37 0.00 0.00 0.00 179.25 179.44 3hfa h GLN 105 N -0.14 0.70 0.01 0.00 4.15 -1.22 -0.82 115.11 117.79 3hfa h GLN 105 Ca 0.05 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 3hfa h GLN 105 Cb 0.21 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.74 3hfa h GLN 105 CO -0.13 0.46 -0.01 1.15 -1.93 0.00 0.00 178.83 178.38 3hfa h THR 106 N 0.72 1.19 -0.48 2.39 2.02 -0.64 -1.70 112.91 116.40 3hfa h THR 106 Ca 0.20 -0.59 -0.05 0.00 0.77 0.00 0.00 66.41 66.74 3hfa h THR 106 Cb -0.06 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 3hfa h THR 106 CO -0.05 0.15 0.10 -0.07 0.37 0.00 0.00 175.52 176.01 3hfa h LEU 107 N -0.27 0.69 -0.50 2.58 3.38 -0.68 0.22 115.31 120.74 3hfa h LEU 107 Ca -0.00 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.86 3hfa h LEU 107 Cb 0.26 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3hfa h LEU 107 CO 0.00 0.70 0.31 1.23 0.09 0.00 0.00 178.44 180.78 3hfa h GLY 108 N 0.93 0.70 0.91 0.83 0.00 -0.99 0.24 103.07 105.68 3hfa h GLY 108 Ca 0.16 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 3hfa h GLY 108 CO 0.00 0.22 0.05 -0.84 0.00 0.00 0.00 176.54 175.97 3hfa h THR 109 N 0.63 1.24 -0.55 4.70 2.02 -0.83 -2.79 112.91 117.33 3hfa h THR 109 Ca 0.19 -0.85 0.02 0.00 0.77 0.00 0.00 66.41 66.54 3hfa h THR 109 Cb -0.03 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 3hfa h THR 109 CO -0.06 0.28 0.34 0.40 0.37 0.00 0.00 175.52 176.85 3hfa h ILE 110 N 0.39 1.08 -0.25 3.11 2.04 -0.66 -1.10 117.51 122.12 3hfa h ILE 110 Ca 0.10 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 3hfa h ILE 110 Cb 0.37 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 3hfa h ILE 110 CO 0.01 0.12 -0.02 0.15 0.00 0.00 0.00 178.15 178.41 3hfa h PHE 111 N 0.68 0.38 0.00 1.37 3.57 -0.41 -1.19 116.94 121.33 3hfa h PHE 111 Ca 0.22 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.69 3hfa h PHE 111 Cb 0.00 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.63 3hfa h PHE 111 CO -0.06 0.40 -1.82 0.25 -2.23 0.00 0.00 178.31 174.85 3hfa n THR 112 N -4.32 0.11 0.00 4.41 -2.24 -1.06 -4.70 114.28 106.48 3hfa n THR 112 Ca 0.00 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3hfa n THR 112 Cb 0.22 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 3hfa n THR 112 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hfa n GLU 113 N -2.33 1.49 -1.00 -0.78 1.02 -0.43 -5.04 120.64 113.57 3hfa n GLU 113 Ca -0.03 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.80 3hfa n GLU 113 Cb 0.57 -0.99 0.15 0.00 -0.02 0.00 0.00 31.44 31.15 3hfa n GLU 113 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3hfa s GLN 114 N -1.96 1.21 0.15 3.49 2.00 -0.46 -4.94 119.66 119.16 3hfa s GLN 114 Ca 0.00 1.12 -0.12 0.00 -2.00 0.00 0.00 55.36 54.36 3hfa s GLN 114 Cb 0.00 -1.78 0.02 0.00 0.80 0.00 0.00 33.01 32.05 3hfa s GLN 114 CO 0.00 -2.36 1.61 0.00 -0.50 0.00 0.00 175.29 174.04 3hfa h ALA 115 N -1.65 0.67 -4.00 1.58 0.00 -1.96 -3.43 119.26 110.46 3hfa h ALA 115 Ca -0.47 -0.27 -0.44 0.00 0.00 0.00 0.00 54.91 53.73 3hfa h ALA 115 Cb 1.27 -0.18 -0.28 0.00 0.00 0.00 0.00 17.79 18.60 3hfa h ALA 115 CO 0.50 0.44 -0.80 0.21 0.00 0.00 0.00 179.25 179.60 3hfa s LYS 116 N -5.08 0.96 0.62 0.00 2.20 -1.26 -5.14 119.74 112.04 3hfa s LYS 116 Ca -0.12 -0.53 -0.17 0.00 -0.36 0.00 0.00 55.97 54.78 3hfa s LYS 116 Cb 0.12 -0.93 -0.02 0.00 -1.51 0.00 0.00 37.83 35.48 3hfa s LYS 116 CO 0.82 0.25 1.14 -2.14 -0.36 0.00 0.00 175.35 175.05 3hfa s PRO 117 N -0.56 2.93 0.03 4.03 0.02 -1.26 -4.90 135.00 135.28 3hfa s PRO 117 Ca 0.03 1.57 -0.30 0.00 0.02 0.00 0.00 61.00 62.32 3hfa s PRO 117 Cb -0.06 -1.95 -0.06 0.00 0.02 0.00 0.00 34.50 32.46 3hfa s PRO 117 CO 0.00 -1.18 1.30 0.71 -0.33 0.00 0.00 177.00 177.50 3hfa s TYR 118 N -2.01 3.16 -1.30 6.54 1.51 -1.26 -4.88 117.35 119.12 3hfa s TYR 118 Ca 0.71 1.06 -0.12 0.00 -1.01 0.00 0.00 57.07 57.72 3hfa s TYR 118 Cb -0.24 -3.55 0.14 0.00 -0.11 0.00 0.00 41.96 38.20 3hfa s TYR 118 CO 0.36 -1.87 1.83 0.39 -1.11 0.00 0.00 175.55 175.15 3hfa n GLU 119 N 4.66 3.42 -3.98 -0.62 1.02 -1.26 -4.78 120.64 119.09 3hfa n GLU 119 Ca 0.11 -3.43 -0.08 0.00 -0.02 0.00 0.00 57.16 53.74 3hfa n GLU 119 Cb 0.45 -3.05 -0.09 0.00 -0.02 0.00 0.00 31.44 28.73 3hfa n GLU 119 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3hfa s VAL 120 N 1.33 0.17 -0.03 2.62 -7.23 -1.26 -1.38 120.40 114.62 3hfa s VAL 120 Ca 0.42 -1.41 0.01 0.00 -1.81 0.00 0.00 61.98 59.19 3hfa s VAL 120 Cb 0.07 -1.23 0.02 0.00 0.56 0.00 0.00 36.38 35.80 3hfa s VAL 120 CO -0.01 -0.78 -0.02 -0.70 -0.31 0.00 0.00 175.10 173.28 3hfa s GLU 121 N -3.39 0.48 0.07 4.82 2.12 -0.58 -3.26 118.70 118.96 3hfa s GLU 121 Ca 0.02 -0.04 0.07 0.00 0.36 0.00 0.00 54.97 55.38 3hfa s GLU 121 Cb 0.04 -0.55 -0.04 0.00 0.26 0.00 0.00 34.13 33.84 3hfa s GLU 121 CO -0.08 -0.06 -0.16 -0.51 -0.54 0.00 0.00 175.26 173.91 3hfa s LEU 122 N 0.69 2.73 -0.10 2.70 1.43 0.34 -1.55 118.68 124.93 3hfa s LEU 122 Ca -0.08 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.61 3hfa s LEU 122 Cb -0.11 -1.59 0.01 0.00 0.03 0.00 0.00 46.19 44.53 3hfa s LEU 122 CO -0.01 0.22 -0.20 0.00 0.23 0.00 0.00 176.35 176.60 3hfa s VAL 124 N 0.60 3.39 0.11 0.00 1.01 -0.62 -1.45 120.40 123.44 3hfa s VAL 124 Ca -0.14 -0.54 0.08 0.00 0.00 0.00 0.00 61.98 61.38 3hfa s VAL 124 Cb -0.17 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 3hfa s VAL 124 CO 0.04 0.51 -0.20 0.00 0.00 0.00 0.00 175.10 175.45 3hfa s ALA 125 N 0.41 1.79 -0.02 5.51 0.00 -0.61 -0.40 121.76 128.45 3hfa s ALA 125 Ca -0.07 -1.28 -0.01 0.00 0.00 0.00 0.00 51.96 50.59 3hfa s ALA 125 Cb -0.15 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.76 3hfa s ALA 125 CO 0.04 0.31 0.04 -2.00 0.00 0.00 0.00 175.76 174.15 3hfa s GLU 126 N -2.11 0.03 0.42 0.00 2.12 -0.44 -0.80 118.70 117.92 3hfa s GLU 126 Ca 0.08 0.07 0.07 0.00 0.36 0.00 0.00 54.97 55.55 3hfa s GLU 126 Cb -0.09 -0.02 -0.05 0.00 0.26 0.00 0.00 34.13 34.23 3hfa s GLU 126 CO 0.05 -0.03 0.17 0.14 -0.54 0.00 0.00 175.26 175.05 3hfa s VAL 127 N 0.17 2.26 0.75 3.70 -7.23 -0.83 -1.13 120.40 118.08 3hfa s VAL 127 Ca -0.01 -1.72 -0.14 0.00 -1.81 0.00 0.00 61.98 58.30 3hfa s VAL 127 Cb -0.02 -2.98 0.05 0.00 0.56 0.00 0.00 36.38 34.00 3hfa s VAL 127 CO -0.00 0.00 1.16 0.00 -0.31 0.00 0.00 175.10 175.95 3hfa s ALA 128 N -2.61 2.09 0.62 1.32 0.00 -1.26 -4.87 121.76 117.05 3hfa s ALA 128 Ca 0.40 0.68 -0.15 0.00 0.00 0.00 0.00 51.96 52.89 3hfa s ALA 128 Cb 0.04 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 3hfa s ALA 128 CO 0.22 -1.89 1.06 -1.01 0.00 0.00 0.00 175.76 174.14 3hfa s HIS 129 N -2.29 2.97 0.01 0.00 3.76 -1.26 -4.80 115.29 113.67 3hfa s HIS 129 Ca 0.70 1.50 -0.37 0.00 -0.15 0.00 0.00 55.06 56.74 3hfa s HIS 129 Cb -0.25 -3.00 -0.16 0.00 1.11 0.00 0.00 32.58 30.28 3hfa s HIS 129 CO 0.48 -1.19 1.51 0.98 -0.85 0.00 0.00 174.74 175.67 3hfa n TYR 130 N -2.25 1.83 -1.00 1.40 9.36 -1.26 -0.92 117.16 124.31 3hfa n TYR 130 Ca 0.09 0.50 -0.00 0.00 3.32 0.00 0.00 57.90 61.80 3hfa n TYR 130 Cb 0.53 -2.42 -0.00 0.00 -0.63 0.00 0.00 39.34 36.82 3hfa n TYR 130 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3hfa n GLY 131 N 3.17 0.46 3.76 2.98 0.00 -1.26 -5.03 105.19 109.27 3hfa n GLY 131 Ca 0.20 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 3hfa n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hfa s GLU 132 N -0.29 2.72 -0.24 1.61 2.02 -0.10 -5.11 118.70 119.32 3hfa s GLU 132 Ca 0.00 -1.08 -0.06 0.00 0.02 0.00 0.00 54.97 53.85 3hfa s GLU 132 Cb 0.00 -2.48 -0.02 0.00 0.10 0.00 0.00 34.13 31.73 3hfa s GLU 132 CO 0.00 0.42 0.02 0.95 0.02 0.00 0.00 175.26 176.67 3hfa s THR 133 N -2.01 3.85 -0.29 3.63 -4.23 -1.26 -4.75 115.64 110.58 3hfa s THR 133 Ca 0.31 -0.34 -0.14 0.00 -1.18 0.00 0.00 61.69 60.35 3hfa s THR 133 Cb -0.08 -2.79 0.13 0.00 1.34 0.00 0.00 72.50 71.10 3hfa s THR 133 CO 0.23 0.37 0.79 -0.75 -0.54 0.00 0.00 174.62 174.72 3hfa s LYS 134 N 1.55 0.52 0.28 3.99 2.20 -1.26 -5.07 119.74 121.94 3hfa s LYS 134 Ca 0.06 1.10 -0.30 0.00 -0.36 0.00 0.00 55.97 56.47 3hfa s LYS 134 Cb -0.15 0.42 -0.13 0.00 -1.51 0.00 0.00 37.83 36.47 3hfa s LYS 134 CO 0.00 -0.14 1.33 0.54 -0.36 0.00 0.00 175.35 176.72 3hfa n ARG 135 N 4.69 1.99 -1.34 4.03 1.74 -1.26 -4.26 116.66 122.26 3hfa n ARG 135 Ca -0.15 0.70 -0.35 0.00 -0.77 0.00 0.00 57.85 57.28 3hfa n ARG 135 Cb 0.54 -2.31 0.09 0.00 -1.02 0.00 0.00 32.46 29.77 3hfa n ARG 135 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3hfa n PRO 136 N 1.41 0.49 -5.25 5.56 -0.02 -1.26 -4.80 135.00 131.13 3hfa n PRO 136 Ca 0.09 0.23 -0.31 0.00 -2.02 0.00 0.00 63.50 61.49 3hfa n PRO 136 Cb 0.33 -2.27 -0.16 0.00 -0.02 0.00 0.00 33.50 31.37 3hfa n PRO 136 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3hfa s GLU 137 N -3.46 2.55 -0.10 -0.52 2.02 -0.29 -4.98 118.70 113.92 3hfa s GLU 137 Ca 0.74 -0.89 0.03 0.00 0.02 0.00 0.00 54.97 54.86 3hfa s GLU 137 Cb -0.34 -2.15 0.01 0.00 0.10 0.00 0.00 34.13 31.76 3hfa s GLU 137 CO 0.50 0.37 -0.19 -0.51 0.02 0.00 0.00 175.26 175.45 3hfa s LEU 138 N -0.13 1.89 0.03 1.80 1.43 -1.23 -1.33 118.68 121.15 3hfa s LEU 138 Ca -0.04 -0.47 0.08 0.00 -1.03 0.00 0.00 54.13 52.66 3hfa s LEU 138 Cb -0.14 -1.19 -0.02 0.00 0.03 0.00 0.00 46.19 44.86 3hfa s LEU 138 CO 0.04 0.08 -0.23 -0.31 0.23 0.00 0.00 176.35 176.15 3hfa s TYR 139 N 0.68 2.05 -0.12 0.29 2.02 0.46 0.25 117.35 122.98 3hfa s TYR 139 Ca -0.12 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.20 3hfa s TYR 139 Cb -0.16 -1.24 0.01 0.00 -0.40 0.00 0.00 41.96 40.17 3hfa s TYR 139 CO 0.03 0.08 -0.16 0.50 -1.57 0.00 0.00 175.55 174.43 3hfa s ARG 140 N -1.07 2.31 -0.16 -0.62 3.00 0.24 -1.59 118.95 121.06 3hfa s ARG 140 Ca 0.09 -0.59 -0.00 0.00 -1.00 0.00 0.00 55.73 54.23 3hfa s ARG 140 Cb -0.09 -1.96 -0.00 0.00 0.00 0.00 0.00 34.95 32.89 3hfa s ARG 140 CO 0.01 -0.07 -0.13 0.42 0.00 0.00 0.00 175.30 175.52 3hfa s ILE 141 N 1.02 2.80 0.58 4.11 1.09 0.10 -1.54 121.20 129.36 3hfa s ILE 141 Ca -0.06 -0.72 0.07 0.00 -1.10 0.00 0.00 60.65 58.85 3hfa s ILE 141 Cb -0.15 -2.20 0.08 0.00 -1.06 0.00 0.00 42.46 39.14 3hfa s ILE 141 CO -0.02 0.50 0.80 0.42 -0.10 0.00 0.00 174.94 176.54 3hfa s THR 142 N 0.87 2.26 0.56 2.92 -4.23 -0.51 -0.50 115.64 117.01 3hfa s THR 142 Ca -0.04 -0.91 0.39 0.00 -1.18 0.00 0.00 61.69 59.95 3hfa s THR 142 Cb -0.15 -2.36 0.41 0.00 1.34 0.00 0.00 72.50 71.74 3hfa s THR 142 CO -0.01 0.00 2.28 0.10 -0.54 0.00 0.00 174.62 176.45 3hfa h TYR 143 N 0.09 0.00 -0.30 3.99 -0.00 -1.85 -1.12 116.97 117.78 3hfa h TYR 143 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.40 3hfa h TYR 143 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.01 3hfa h TYR 143 CO 0.30 0.01 0.00 -0.40 -0.00 0.00 0.00 178.16 178.07 3hfa n ASP 144 N -3.29 3.35 0.00 0.10 5.75 -1.26 -4.54 116.55 116.67 3hfa n ASP 144 Ca -0.02 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 3hfa n ASP 144 Cb 0.12 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 3hfa n ASP 144 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hfa n GLY 145 N 1.47 0.62 3.77 6.12 0.00 -0.42 -4.08 105.19 112.67 3hfa n GLY 145 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3hfa n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hfa s SER 146 N -2.90 6.26 0.03 1.61 0.01 -1.26 -4.63 113.70 112.82 3hfa s SER 146 Ca 0.00 2.80 0.02 0.00 1.31 0.00 0.00 55.95 60.08 3hfa s SER 146 Cb 0.00 -2.65 -0.02 0.00 0.21 0.00 0.00 66.02 63.56 3hfa s SER 146 CO 0.00 -0.90 -0.08 -0.51 0.41 0.00 0.00 173.24 172.16 3hfa s ILE 147 N -1.20 0.56 -0.18 1.44 2.07 -1.26 -1.43 121.20 121.19 3hfa s ILE 147 Ca 0.56 -0.81 -0.23 0.00 -1.41 0.00 0.00 60.65 58.76 3hfa s ILE 147 Cb -0.41 -0.57 0.06 0.00 0.13 0.00 0.00 42.46 41.67 3hfa s ILE 147 CO 0.54 -0.19 0.61 0.00 -1.91 0.00 0.00 174.94 173.99 3hfa s ALA 148 N -0.94 -1.53 -0.12 1.50 0.00 -0.59 -4.99 121.76 115.08 3hfa s ALA 148 Ca -0.05 1.58 -0.03 0.00 0.00 0.00 0.00 51.96 53.46 3hfa s ALA 148 Cb -0.07 -0.76 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 3hfa s ALA 148 CO 0.00 -0.31 -0.03 0.16 0.00 0.00 0.00 175.76 175.59 3hfa s ASP 149 N -0.06 4.94 0.01 0.00 -4.77 -1.26 0.82 116.67 116.35 3hfa s ASP 149 Ca -0.03 -0.02 -0.00 0.00 -3.30 0.00 0.00 52.55 49.20 3hfa s ASP 149 Cb -0.04 -1.60 -0.04 0.00 -1.09 0.00 0.00 42.92 40.16 3hfa s ASP 149 CO 0.03 0.26 0.11 -1.61 0.70 0.00 0.00 175.17 174.66 3hfa s GLU 150 N -0.19 3.13 0.08 2.11 0.41 0.14 -4.97 118.70 119.42 3hfa s GLU 150 Ca 0.04 -0.49 -0.14 0.00 -0.41 0.00 0.00 54.97 53.97 3hfa s GLU 150 Cb -0.13 -2.89 -0.22 0.00 -1.78 0.00 0.00 34.13 29.11 3hfa s GLU 150 CO 0.02 0.64 1.22 -1.35 -0.49 0.00 0.00 175.26 175.29 3hfa h PRO 151 N 3.83 0.73 0.00 0.39 0.11 -1.95 -3.24 132.00 131.87 3hfa h PRO 151 Ca -0.48 -0.74 0.00 0.00 0.11 0.00 0.00 66.00 64.89 3hfa h PRO 151 Cb 1.18 0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.49 3hfa h PRO 151 CO 0.65 1.32 -0.99 0.72 -0.21 0.00 0.00 178.00 179.49 3hfa n HIS 152 N -3.87 0.00 -3.64 0.65 8.25 -1.26 -4.85 115.22 110.50 3hfa n HIS 152 Ca -0.10 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.25 3hfa n HIS 152 Cb 0.86 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.93 3hfa n HIS 152 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 3hfa s PHE 153 N -1.99 -0.24 -0.02 4.41 -0.12 -1.26 -1.26 117.98 117.49 3hfa s PHE 153 Ca 0.00 -0.07 0.02 0.00 -0.05 0.00 0.00 56.93 56.83 3hfa s PHE 153 Cb 0.00 0.42 0.00 0.00 -0.63 0.00 0.00 43.02 42.81 3hfa s PHE 153 CO 0.00 -0.87 -0.08 0.08 -0.05 0.00 0.00 175.22 174.31 3hfa s VAL 154 N -3.83 0.66 -0.07 -2.49 1.01 -0.10 -4.83 120.40 110.76 3hfa s VAL 154 Ca 0.06 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.78 3hfa s VAL 154 Cb -0.01 -0.59 -0.00 0.00 0.00 0.00 0.00 36.38 35.78 3hfa s VAL 154 CO -0.07 0.21 -0.20 -0.69 0.00 0.00 0.00 175.10 174.35 3hfa s VAL 155 N 0.16 1.70 0.02 2.92 1.01 -1.26 -1.06 120.40 123.89 3hfa s VAL 155 Ca -0.02 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.12 3hfa s VAL 155 Cb -0.07 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 3hfa s VAL 155 CO 0.00 0.48 -0.03 -0.04 0.00 0.00 0.00 175.10 175.51 3hfa s MET 156 N 0.17 0.28 0.00 2.72 -1.94 -0.00 -5.00 119.30 115.54 3hfa s MET 156 Ca -0.10 -0.50 0.00 0.00 -1.71 0.00 0.00 55.69 53.38 3hfa s MET 156 Cb -0.14 0.02 0.00 0.00 2.01 0.00 0.00 34.83 36.71 3hfa s MET 156 CO 0.05 -0.02 0.00 0.41 -0.01 0.00 0.00 175.02 175.44 3hfa n GLY 157 N 1.91 -1.80 7.00 -0.03 0.00 -1.26 -0.41 105.19 110.59 3hfa n GLY 157 Ca -0.21 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.40 3hfa n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hfa n GLY 158 N -0.86 0.98 3.49 -0.02 0.00 -0.71 -4.20 105.19 103.88 3hfa n GLY 158 Ca 0.00 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 3hfa n GLY 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hfa s THR 159 N 0.00 4.39 -0.18 2.61 -4.23 -1.26 -4.60 115.64 112.37 3hfa s THR 159 Ca 0.00 -0.01 0.17 0.00 -1.18 0.00 0.00 61.69 60.67 3hfa s THR 159 Cb 0.00 -4.58 0.01 0.00 1.34 0.00 0.00 72.50 69.27 3hfa s THR 159 CO 0.00 -1.23 1.18 0.71 -0.54 0.00 0.00 174.62 174.74 3hfa h THR 160 N 5.99 0.52 0.19 3.99 1.35 -1.95 -3.39 112.91 119.61 3hfa h THR 160 Ca -0.27 -1.84 0.01 0.00 -0.55 0.00 0.00 66.41 63.76 3hfa h THR 160 Cb 1.07 2.11 -0.04 0.00 -1.73 0.00 0.00 68.15 69.56 3hfa h THR 160 CO 1.12 0.30 -0.42 -0.08 -0.25 0.00 0.00 175.52 176.19 3hfa h GLU 161 N 0.00 -0.67 -0.97 4.72 4.57 -1.95 0.21 114.58 120.48 3hfa h GLU 161 Ca -0.06 0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.22 3hfa h GLU 161 Cb 1.36 0.15 -0.06 0.00 -0.16 0.00 0.00 28.75 30.04 3hfa h GLU 161 CO 0.04 -0.45 0.63 -1.35 -1.18 0.00 0.00 179.01 176.70 3hfa h PRO 162 N -0.70 1.14 -0.22 0.92 0.11 -1.84 0.02 132.00 131.44 3hfa h PRO 162 Ca 0.01 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 3hfa h PRO 162 Cb 0.70 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 3hfa h PRO 162 CO -0.20 0.76 0.03 0.82 -0.21 0.00 0.00 178.00 179.20 3hfa h ILE 163 N 1.18 1.23 -0.73 4.15 2.04 -1.56 -0.33 117.51 123.49 3hfa h ILE 163 Ca 0.40 -0.79 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 3hfa h ILE 163 Cb 0.09 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 3hfa h ILE 163 CO -0.15 0.24 0.28 0.00 0.00 0.00 0.00 178.15 178.52 3hfa h ALA 164 N 0.83 0.95 -0.18 1.87 0.00 -0.29 -1.37 119.26 121.07 3hfa h ALA 164 Ca 0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hfa h ALA 164 Cb 0.34 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3hfa h ALA 164 CO 0.01 0.58 0.09 -0.91 0.00 0.00 0.00 179.25 179.02 3hfa h ASN 165 N 1.05 0.22 -0.73 0.00 2.35 -0.87 0.19 115.58 117.79 3hfa h ASN 165 Ca 0.24 -0.09 0.08 0.00 -0.55 0.00 0.00 56.30 55.98 3hfa h ASN 165 Cb 0.23 -0.06 -0.07 0.00 0.05 0.00 0.00 38.32 38.48 3hfa h ASN 165 CO -0.02 0.25 0.39 0.00 -1.65 0.00 0.00 177.43 176.41 3hfa h ALA 166 N 0.98 1.02 -0.35 -0.83 0.00 -0.82 -0.86 119.26 118.39 3hfa h ALA 166 Ca 0.06 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3hfa h ALA 166 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3hfa h ALA 166 CO -0.01 0.02 -0.07 -0.07 0.00 0.00 0.00 179.25 179.13 3hfa h LEU 167 N 0.68 0.67 -2.31 0.00 3.38 -1.02 -0.73 115.31 115.99 3hfa h LEU 167 Ca 0.35 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3hfa h LEU 167 Cb 0.32 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3hfa h LEU 167 CO -0.24 0.87 0.15 0.50 0.09 0.00 0.00 178.44 179.81 3hfa h LYS 168 N 0.46 0.00 0.00 1.13 3.64 0.04 0.28 116.57 122.13 3hfa h LYS 168 Ca 0.09 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.29 3hfa h LYS 168 Cb 0.56 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 3hfa h LYS 168 CO 0.03 0.00 -0.98 1.49 -2.27 0.00 0.00 179.45 177.72 3hfa h GLU 169 N 0.00 0.00 -0.00 1.90 4.57 -0.83 -3.41 114.58 116.81 3hfa h GLU 169 Ca 0.06 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3hfa h GLU 169 Cb 0.36 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 3hfa h GLU 169 CO -0.00 0.97 -0.85 -1.13 -1.18 0.00 0.00 179.01 176.82 3hfa n SER 170 N -4.48 1.11 -4.68 1.04 3.41 -0.31 -4.95 113.62 104.76 3hfa n SER 170 Ca -0.27 -1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 56.92 3hfa n SER 170 Cb 0.63 0.82 -0.03 0.00 -0.26 0.00 0.00 64.21 65.37 3hfa n SER 170 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3hfa s TYR 171 N -2.91 2.48 -0.09 7.33 5.04 0.97 -5.00 117.35 125.17 3hfa s TYR 171 Ca 0.10 0.46 0.03 0.00 -2.44 0.00 0.00 57.07 55.23 3hfa s TYR 171 Cb 0.17 -3.85 -0.01 0.00 0.35 0.00 0.00 41.96 38.61 3hfa s TYR 171 CO 0.80 -3.38 -0.19 0.00 -1.34 0.00 0.00 175.55 171.44 3hfa s ALA 172 N 2.85 2.42 0.35 3.97 0.00 -1.26 -5.00 121.76 125.09 3hfa s ALA 172 Ca 0.70 -0.96 -0.29 0.00 0.00 0.00 0.00 51.96 51.42 3hfa s ALA 172 Cb -0.36 -0.95 -0.11 0.00 0.00 0.00 0.00 23.12 21.71 3hfa s ALA 172 CO 0.30 0.35 1.41 -2.00 0.00 0.00 0.00 175.76 175.82 3hfa s GLU 173 N 0.03 4.23 -1.41 0.00 2.12 -1.26 -3.35 118.70 119.06 3hfa s GLU 173 Ca -0.07 2.40 -0.01 0.00 0.36 0.00 0.00 54.97 57.65 3hfa s GLU 173 Cb -0.15 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.22 3hfa s GLU 173 CO 0.05 -0.38 0.16 0.09 -0.54 0.00 0.00 175.26 174.64 3hfa n ASN 174 N 0.78 -5.14 -4.74 -1.70 3.02 -1.26 -4.96 115.26 101.25 3hfa n ASN 174 Ca 0.01 -0.09 -0.32 0.00 -0.03 0.00 0.00 54.58 54.16 3hfa n ASN 174 Cb 0.40 -4.15 0.10 0.00 -0.61 0.00 0.00 39.78 35.52 3hfa n ASN 174 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hfa s ALA 175 N -2.92 2.09 0.88 5.41 0.00 -1.21 -4.26 121.76 121.74 3hfa s ALA 175 Ca 0.08 0.47 -0.11 0.00 0.00 0.00 0.00 51.96 52.39 3hfa s ALA 175 Cb -0.04 -3.35 0.12 0.00 0.00 0.00 0.00 23.12 19.85 3hfa s ALA 175 CO 0.10 -1.94 1.09 -1.54 0.00 0.00 0.00 175.76 173.48 3hfa s SER 176 N -2.92 3.65 0.19 0.00 1.04 -1.26 -2.09 113.70 112.31 3hfa s SER 176 Ca 0.65 1.47 -0.13 0.00 0.48 0.00 0.00 55.95 58.42 3hfa s SER 176 Cb -0.20 -2.16 0.19 0.00 0.10 0.00 0.00 66.02 63.94 3hfa s SER 176 CO 0.53 -2.52 1.74 0.25 0.98 0.00 0.00 173.24 174.21 3hfa h LEU 177 N -1.47 0.13 0.08 2.42 5.85 -1.99 0.55 115.31 120.89 3hfa h LEU 177 Ca -0.49 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.30 3hfa h LEU 177 Cb 1.28 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.37 3hfa h LEU 177 CO 0.55 0.10 -0.06 0.74 -0.34 0.00 0.00 178.44 179.43 3hfa h THR 178 N 0.32 0.86 -0.79 1.05 2.02 -1.92 -1.31 112.91 113.14 3hfa h THR 178 Ca 0.25 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.40 3hfa h THR 178 Cb 0.29 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 3hfa h THR 178 CO -0.27 0.00 0.39 0.44 0.37 0.00 0.00 175.52 176.45 3hfa h ASP 179 N -0.15 1.01 -0.32 4.18 3.32 -1.83 -1.97 116.42 120.65 3hfa h ASP 179 Ca -0.00 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 56.88 3hfa h ASP 179 Cb 0.14 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3hfa h ASP 179 CO -0.01 0.84 -0.02 0.00 -1.72 0.00 0.00 179.24 178.33 3hfa h ALA 180 N 1.32 1.19 -0.21 3.45 0.00 -0.65 -2.02 119.26 122.33 3hfa h ALA 180 Ca 0.27 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3hfa h ALA 180 Cb 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3hfa h ALA 180 CO -0.04 0.53 -0.00 1.25 0.00 0.00 0.00 179.25 180.99 3hfa h LEU 181 N 0.64 0.37 -0.14 0.00 5.85 -0.72 -0.64 115.31 120.67 3hfa h LEU 181 Ca 0.13 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.57 3hfa h LEU 181 Cb 0.43 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3hfa h LEU 181 CO 0.02 0.60 -0.07 -0.09 -0.34 0.00 0.00 178.44 178.56 3hfa h ARG 182 N 0.14 -0.05 -0.59 1.25 2.43 -1.16 0.34 114.38 116.74 3hfa h ARG 182 Ca 0.06 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3hfa h ARG 182 Cb 0.41 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 3hfa h ARG 182 CO 0.01 -0.03 0.37 0.82 -1.51 0.00 0.00 179.97 179.63 3hfa h ILE 183 N -0.05 1.10 0.68 1.20 2.04 -1.31 -0.48 117.51 120.68 3hfa h ILE 183 Ca 0.08 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 3hfa h ILE 183 Cb 0.17 0.29 0.01 0.00 -0.74 0.00 0.00 36.82 36.54 3hfa h ILE 183 CO -0.17 0.14 -0.33 0.00 0.00 0.00 0.00 178.15 177.79 3hfa h ALA 184 N 1.25 -0.92 -0.08 1.87 0.00 -0.54 -0.81 119.26 120.04 3hfa h ALA 184 Ca 0.23 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3hfa h ALA 184 Cb -0.02 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3hfa h ALA 184 CO -0.08 -0.93 -0.23 0.28 0.00 0.00 0.00 179.25 178.29 3hfa h VAL 185 N -1.08 0.46 -0.10 0.00 2.07 -0.27 -0.91 116.25 116.41 3hfa h VAL 185 Ca -0.09 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.47 3hfa h VAL 185 Cb 0.73 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 3hfa h VAL 185 CO 0.15 0.00 -0.24 0.00 0.02 0.00 0.00 177.57 177.51 3hfa h ALA 186 N 0.60 -0.23 -0.92 1.67 0.00 -1.12 -0.37 119.26 118.89 3hfa h ALA 186 Ca 0.08 0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.19 3hfa h ALA 186 Cb 0.44 0.45 -0.08 0.00 0.00 0.00 0.00 17.79 18.60 3hfa h ALA 186 CO -0.26 -0.70 0.59 0.00 0.00 0.00 0.00 179.25 178.88 3hfa h ALA 187 N 0.62 1.89 -0.59 0.00 0.00 -0.73 0.54 119.26 120.99 3hfa h ALA 187 Ca 0.09 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3hfa h ALA 187 Cb 0.45 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3hfa h ALA 187 CO -0.28 -0.17 0.06 1.25 0.00 0.00 0.00 179.25 180.11 3hfa h LEU 188 N 0.64 0.94 -0.36 0.00 5.85 0.30 -3.14 115.31 119.54 3hfa h LEU 188 Ca 0.48 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 59.03 3hfa h LEU 188 Cb 0.87 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 3hfa h LEU 188 CO -0.24 0.96 0.05 0.03 -0.34 0.00 0.00 178.44 178.91 3hfa h ARG 189 N 0.92 0.16 -0.24 1.25 3.08 0.28 -3.48 114.38 116.35 3hfa h ARG 189 Ca 0.18 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3hfa h ARG 189 Cb 0.45 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3hfa h ARG 189 CO 0.02 0.11 0.00 0.00 -1.07 0.00 0.00 179.97 179.02 3hfa n ALA 190 N -2.44 0.19 0.00 0.04 0.00 -1.18 -5.09 120.51 112.03 3hfa n ALA 190 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3hfa n ALA 190 Cb 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.44 3hfa n ALA 190 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hfa n LEU 203 N 0.19 0.00 -5.01 0.00 4.77 -1.26 -4.15 117.00 111.53 3hfa n LEU 203 Ca 0.00 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.80 3hfa n LEU 203 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3hfa n LEU 203 CO 0.00 0.00 0.20 -0.83 -1.33 0.00 0.00 177.39 175.43 3hfa s GLY 204 N 0.00 1.89 0.51 -0.72 0.00 -1.26 -4.88 107.32 102.86 3hfa s GLY 204 Ca 0.00 -1.81 0.42 0.00 0.00 0.00 0.00 44.72 43.33 3hfa s GLY 204 CO 0.00 -1.56 1.60 -2.08 0.00 0.00 0.00 173.10 171.07 3hfa h VAL 205 N 0.51 0.06 0.00 1.40 2.07 -1.98 0.72 116.25 119.04 3hfa h VAL 205 Ca -0.37 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3hfa h VAL 205 Cb 1.28 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3hfa h VAL 205 CO 0.44 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.04 3hfa h ALA 206 N 1.27 1.00 0.00 1.67 0.00 -1.93 -3.16 119.26 118.11 3hfa h ALA 206 Ca 0.88 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.79 3hfa h ALA 206 Cb 3.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 21.03 3hfa h ALA 206 CO -0.18 0.00 -0.01 -1.13 0.00 0.00 0.00 179.25 177.93 3hfa n SER 207 N -2.41 1.83 -4.23 0.00 3.41 0.25 -4.51 113.62 107.95 3hfa n SER 207 Ca 0.03 -2.13 -0.27 0.00 -0.26 0.00 0.00 58.87 56.25 3hfa n SER 207 Cb 0.34 -0.09 -0.15 0.00 -0.26 0.00 0.00 64.21 64.05 3hfa n SER 207 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hfa s LEU 208 N -1.26 2.07 -0.21 1.04 1.43 -1.01 -0.91 118.68 119.84 3hfa s LEU 208 Ca 0.06 -0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 52.71 3hfa s LEU 208 Cb 0.06 -1.06 -0.01 0.00 0.03 0.00 0.00 46.19 45.20 3hfa s LEU 208 CO 0.01 0.23 -0.05 -0.70 0.23 0.00 0.00 176.35 176.07 3hfa s GLU 209 N -0.68 3.40 -0.01 1.70 2.12 -0.33 -4.79 118.70 120.11 3hfa s GLU 209 Ca 0.08 -0.62 0.05 0.00 0.36 0.00 0.00 54.97 54.84 3hfa s GLU 209 Cb -0.08 -2.97 -0.01 0.00 0.26 0.00 0.00 34.13 31.33 3hfa s GLU 209 CO -0.00 -0.13 -0.15 0.08 -0.54 0.00 0.00 175.26 174.52 3hfa s VAL 210 N 1.29 1.20 0.17 3.70 1.01 -1.26 -1.52 120.40 124.99 3hfa s VAL 210 Ca 0.03 -0.66 -0.19 0.00 0.00 0.00 0.00 61.98 61.17 3hfa s VAL 210 Cb -0.14 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 35.28 3hfa s VAL 210 CO -0.02 0.33 0.51 0.00 0.00 0.00 0.00 175.10 175.93 3hfa s ALA 211 N -0.37 -1.12 0.09 5.51 0.00 -0.95 -1.25 121.76 123.67 3hfa s ALA 211 Ca 0.06 0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.07 3hfa s ALA 211 Cb -0.06 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 3hfa s ALA 211 CO -0.01 -0.75 -0.10 0.14 0.00 0.00 0.00 175.76 175.05 3hfa s VAL 212 N -3.82 0.86 -0.55 0.00 -7.23 -0.13 -0.76 120.40 108.78 3hfa s VAL 212 Ca 0.05 -1.56 -0.18 0.00 -1.81 0.00 0.00 61.98 58.48 3hfa s VAL 212 Cb -0.00 -1.25 0.09 0.00 0.56 0.00 0.00 36.38 35.77 3hfa s VAL 212 CO -0.08 -0.54 0.63 -0.76 -0.31 0.00 0.00 175.10 174.04 3hfa s LEU 213 N -2.32 5.35 -0.54 1.32 1.43 0.37 -1.32 118.68 122.96 3hfa s LEU 213 Ca 0.03 -1.29 -0.21 0.00 -1.03 0.00 0.00 54.13 51.62 3hfa s LEU 213 Cb -0.04 -2.33 0.05 0.00 0.03 0.00 0.00 46.19 43.91 3hfa s LEU 213 CO -0.00 -0.98 0.79 -0.62 0.23 0.00 0.00 176.35 175.77 3hfa s ASP 214 N 3.24 6.26 0.14 2.29 2.15 0.93 -1.93 116.67 129.75 3hfa s ASP 214 Ca 0.11 -0.72 0.15 0.00 0.43 0.00 0.00 52.55 52.52 3hfa s ASP 214 Cb -0.23 -2.36 0.69 0.00 -0.30 0.00 0.00 42.92 40.72 3hfa s ASP 214 CO 0.08 -1.09 1.47 0.00 -0.17 0.00 0.00 175.17 175.45 3hfa n ALA 215 N 6.85 1.38 0.72 3.66 0.00 -0.03 -1.54 120.51 131.55 3hfa n ALA 215 Ca -0.03 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.59 3hfa n ALA 215 Cb 0.46 -1.24 0.41 0.00 0.00 0.00 0.00 19.45 19.08 3hfa n ALA 215 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hfa n ASN 216 N -1.86 0.60 -4.77 0.00 2.85 -1.26 -4.40 115.26 106.40 3hfa n ASN 216 Ca 0.01 0.45 -0.37 0.00 -0.11 0.00 0.00 54.58 54.56 3hfa n ASN 216 Cb 0.12 -0.53 -0.03 0.00 1.24 0.00 0.00 39.78 40.58 3hfa n ASN 216 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 3hfa s ARG 217 N -3.08 4.05 0.04 1.20 1.81 -0.59 -4.98 118.95 117.40 3hfa s ARG 217 Ca 0.11 1.67 -0.24 0.00 -1.72 0.00 0.00 55.73 55.55 3hfa s ARG 217 Cb 0.14 -2.56 -0.17 0.00 -0.45 0.00 0.00 34.95 31.91 3hfa s ARG 217 CO 0.61 -0.28 1.53 -1.35 -0.68 0.00 0.00 175.30 175.13 3hfa h PRO 218 N 2.46 -0.05 0.00 3.54 0.11 -1.89 -3.39 132.00 132.78 3hfa h PRO 218 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hfa h PRO 218 Cb 1.23 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hfa h PRO 218 CO 0.62 0.15 0.00 -2.13 -0.21 0.00 0.00 178.00 176.43 3hfa n ARG 219 N -5.02 0.00 -2.76 1.05 0.63 -1.26 -4.35 116.66 104.94 3hfa n ARG 219 Ca -0.08 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.43 3hfa n ARG 219 Cb 0.13 -0.15 -0.04 0.00 0.45 0.00 0.00 32.46 32.86 3hfa n ARG 219 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3hfa s ARG 220 N -1.40 3.30 0.39 -0.14 0.52 -1.26 -4.40 118.95 115.97 3hfa s ARG 220 Ca 0.00 -0.28 0.21 0.00 -0.52 0.00 0.00 55.73 55.14 3hfa s ARG 220 Cb 0.00 -4.10 0.46 0.00 0.52 0.00 0.00 34.95 31.83 3hfa s ARG 220 CO 0.00 -1.67 1.63 0.00 0.02 0.00 0.00 175.30 175.28 3hfa h ALA 221 N 9.49 0.89 -2.44 2.13 0.00 -1.16 -3.45 119.26 124.73 3hfa h ALA 221 Ca -0.27 -0.20 -0.54 0.00 0.00 0.00 0.00 54.91 53.90 3hfa h ALA 221 Cb 1.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3hfa h ALA 221 CO 1.15 0.28 0.68 0.12 0.00 0.00 0.00 179.25 181.48 3hfa s PHE 222 N -3.25 3.21 -0.14 0.00 5.36 -1.26 -0.05 117.98 121.86 3hfa s PHE 222 Ca 0.04 1.10 -0.09 0.00 -0.96 0.00 0.00 56.93 57.02 3hfa s PHE 222 Cb 0.07 -3.53 0.05 0.00 -0.34 0.00 0.00 43.02 39.27 3hfa s PHE 222 CO 0.68 -1.77 0.35 -0.98 -1.46 0.00 0.00 175.22 172.04 3hfa s ARG 223 N 1.61 0.35 0.38 10.12 1.70 -0.44 -4.96 118.95 127.72 3hfa s ARG 223 Ca 0.60 0.62 -0.21 0.00 -0.47 0.00 0.00 55.73 56.27 3hfa s ARG 223 Cb -0.30 0.03 -0.10 0.00 -0.57 0.00 0.00 34.95 34.00 3hfa s ARG 223 CO 0.27 -0.12 0.90 1.03 -1.08 0.00 0.00 175.30 176.30 3hfa s ARG 224 N 0.93 4.25 -0.20 3.89 0.52 -1.26 -0.95 118.95 126.13 3hfa s ARG 224 Ca -0.06 1.06 -0.01 0.00 -0.52 0.00 0.00 55.73 56.21 3hfa s ARG 224 Cb -0.07 -2.36 0.02 0.00 0.52 0.00 0.00 34.95 33.06 3hfa s ARG 224 CO -0.07 0.07 -0.13 0.42 0.02 0.00 0.00 175.30 175.61 3hfa s ILE 225 N -2.02 2.53 0.07 1.52 1.01 -0.38 -4.93 121.20 118.99 3hfa s ILE 225 Ca 0.58 -0.87 -0.10 0.00 0.00 0.00 0.00 60.65 60.27 3hfa s ILE 225 Cb -0.11 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 40.22 3hfa s ILE 225 CO 0.16 0.43 0.21 0.42 0.00 0.00 0.00 174.94 176.16 3hfa s THR 226 N 1.34 0.12 0.00 2.92 -4.23 -1.26 -4.22 115.64 110.31 3hfa s THR 226 Ca 0.04 -1.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.54 3hfa s THR 226 Cb -0.14 -1.14 0.00 0.00 1.34 0.00 0.00 72.50 72.56 3hfa s THR 226 CO -0.09 -0.56 0.00 0.61 -0.54 0.00 0.00 174.62 174.04 3hfa n GLY 227 N 0.28 3.82 0.36 3.99 0.00 -1.26 -2.45 105.19 109.93 3hfa n GLY 227 Ca -0.17 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 45.80 3hfa n GLY 227 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hfa h SER 228 N 0.00 1.10 -0.66 1.61 4.64 -1.98 -0.12 113.55 118.13 3hfa h SER 228 Ca 0.00 -0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 3hfa h SER 228 Cb 0.00 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 61.78 3hfa h SER 228 CO 0.00 0.86 0.35 0.00 -0.87 0.00 0.00 176.83 177.17 3hfa h ALA 229 N 1.32 0.85 -0.50 5.18 0.00 -1.88 -1.76 119.26 122.47 3hfa h ALA 229 Ca 0.32 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3hfa h ALA 229 Cb -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3hfa h ALA 229 CO -0.06 0.38 0.03 1.25 0.00 0.00 0.00 179.25 180.86 3hfa h LEU 230 N 0.91 0.78 -1.03 0.00 5.85 -1.41 -3.09 115.31 117.32 3hfa h LEU 230 Ca 0.23 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3hfa h LEU 230 Cb 0.07 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 3hfa h LEU 230 CO -0.03 0.83 0.47 -0.61 -0.34 0.00 0.00 178.44 178.75 3hfa h GLN 231 N 0.77 1.14 -0.58 1.25 5.75 -0.18 -2.45 115.11 120.81 3hfa h GLN 231 Ca 0.15 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 58.53 3hfa h GLN 231 Cb 0.42 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.71 3hfa h GLN 231 CO 0.01 0.82 0.33 0.00 -2.65 0.00 0.00 178.83 177.35 3hfa h ALA 232 N 1.36 0.74 -0.62 3.38 0.00 -1.31 -2.95 119.26 119.85 3hfa h ALA 232 Ca 0.29 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 3hfa h ALA 232 Cb 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3hfa h ALA 232 CO -0.05 0.24 0.07 -0.07 0.00 0.00 0.00 179.25 179.44 3hfa h LEU 233 N 0.78 1.01 0.00 0.00 4.07 -1.56 -3.51 115.31 116.10 3hfa h LEU 233 Ca 0.21 -0.27 0.00 0.00 0.08 0.00 0.00 57.88 57.89 3hfa h LEU 233 Cb 0.01 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.48 3hfa h LEU 233 CO -0.04 1.03 0.00 0.18 -1.08 0.00 0.00 178.44 178.54