#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 1.06 -0.72 2.12 4.81 -2.06 -3.08 114.58 116.70 3hfa h GLU 10 Ca 0.00 -0.23 -0.07 0.00 -0.13 0.00 0.00 59.36 58.94 3hfa h GLU 10 Cb 0.00 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 3hfa h GLU 10 CO 0.00 0.92 0.19 0.37 -0.73 0.00 0.00 179.01 179.76 3hfa h GLN 11 N 0.99 1.14 -0.84 1.92 4.15 -2.06 -3.03 115.11 117.38 3hfa h GLN 11 Ca 0.22 -0.27 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 3hfa h GLN 11 Cb 0.30 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.80 3hfa h GLN 11 CO -0.01 0.99 0.46 0.00 -1.93 0.00 0.00 178.83 178.35 3hfa h ALA 12 N 1.10 1.08 -0.60 3.38 0.00 -1.99 -1.84 119.26 120.39 3hfa h ALA 12 Ca 0.23 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3hfa h ALA 12 Cb 0.35 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3hfa h ALA 12 CO -0.00 0.59 0.16 0.52 0.00 0.00 0.00 179.25 180.52 3hfa h MET 13 N 1.18 0.92 -0.83 0.00 2.86 -1.51 -2.06 114.93 115.49 3hfa h MET 13 Ca 0.30 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 3hfa h MET 13 Cb 0.03 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.52 3hfa h MET 13 CO -0.05 0.81 0.38 -0.09 1.06 0.00 0.00 176.91 179.03 3hfa h ARG 14 N 0.88 1.20 -0.32 1.72 2.43 -1.23 -1.41 114.38 117.65 3hfa h ARG 14 Ca 0.19 -0.18 -0.17 0.00 -0.81 0.00 0.00 59.98 59.01 3hfa h ARG 14 Cb 0.30 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3hfa h ARG 14 CO -0.00 0.93 -0.47 0.93 -1.51 0.00 0.00 179.97 179.85 3hfa h GLU 15 N 1.18 0.87 -0.12 0.20 5.08 -1.12 -1.08 114.58 119.60 3hfa h GLU 15 Ca 0.28 -0.50 -0.07 0.00 -1.00 0.00 0.00 59.36 58.07 3hfa h GLU 15 Cb 0.14 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3hfa h GLU 15 CO -0.03 1.14 -0.23 0.00 -1.00 0.00 0.00 179.01 178.89 3hfa h ARG 16 N 0.69 0.20 -0.26 2.33 3.08 -1.26 -0.23 114.38 118.93 3hfa h ARG 16 Ca 0.04 -0.06 -0.19 0.00 0.07 0.00 0.00 59.98 59.84 3hfa h ARG 16 Cb 1.06 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.09 3hfa h ARG 16 CO 0.11 0.43 -0.57 1.03 -1.07 0.00 0.00 179.97 179.89 3hfa h SER 17 N 0.19 0.93 -0.15 7.04 0.87 -0.97 -2.80 113.55 118.66 3hfa h SER 17 Ca 0.03 -0.51 -0.12 0.00 -1.23 0.00 0.00 61.79 59.96 3hfa h SER 17 Cb 0.51 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 3hfa h SER 17 CO 0.04 1.30 -0.36 -0.33 -0.53 0.00 0.00 176.83 176.95 3hfa h GLU 18 N 0.63 0.52 -0.87 2.24 4.39 -0.85 -1.72 114.58 118.92 3hfa h GLU 18 Ca 0.01 -0.35 0.10 0.00 0.34 0.00 0.00 59.36 59.46 3hfa h GLU 18 Cb 1.18 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.80 3hfa h GLU 18 CO 0.12 0.96 0.51 1.25 -1.16 0.00 0.00 179.01 180.70 3hfa h LEU 19 N 0.15 0.75 0.07 1.33 6.46 -1.09 -0.52 115.31 122.46 3hfa h LEU 19 Ca -0.00 0.05 -0.28 0.00 -0.12 0.00 0.00 57.88 57.52 3hfa h LEU 19 Cb 0.97 -0.10 0.02 0.00 -0.73 0.00 0.00 40.66 40.81 3hfa h LEU 19 CO 0.08 0.43 -1.21 0.00 -0.62 0.00 0.00 178.44 177.12 3hfa h ALA 20 N 1.47 0.08 -0.47 1.25 0.00 -1.50 -2.63 119.26 117.45 3hfa h ALA 20 Ca 0.42 -0.80 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 3hfa h ALA 20 Cb 0.37 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3hfa h ALA 20 CO -0.24 0.78 0.12 -0.09 0.00 0.00 0.00 179.25 179.82 3hfa h ARG 21 N 0.21 0.71 -0.00 0.00 2.43 -0.89 -2.30 114.38 114.54 3hfa h ARG 21 Ca -0.16 -0.13 -0.12 0.00 -0.81 0.00 0.00 59.98 58.76 3hfa h ARG 21 Cb 1.89 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 31.33 3hfa h ARG 21 CO 0.22 0.65 -0.47 0.87 -1.51 0.00 0.00 179.97 179.73 3hfa h LYS 22 N 0.69 0.32 -0.65 0.20 1.57 -1.15 -2.37 116.57 115.19 3hfa h LYS 22 Ca 0.16 -0.34 0.10 0.00 -1.87 0.00 0.00 60.65 58.69 3hfa h LYS 22 Cb 0.26 0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.59 3hfa h LYS 22 CO -0.00 1.03 0.27 0.78 -0.57 0.00 0.00 179.45 180.96 3hfa h GLY 23 N -0.25 0.94 0.92 3.86 0.00 -1.38 -1.14 103.07 106.02 3hfa h GLY 23 Ca -0.06 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.06 3hfa h GLY 23 CO 0.09 -0.00 -0.04 -2.22 0.00 0.00 0.00 176.54 174.36 3hfa h ILE 24 N 0.46 1.27 0.00 2.60 2.04 -1.47 -2.47 117.51 119.94 3hfa h ILE 24 Ca 0.33 -1.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.12 3hfa h ILE 24 Cb 0.40 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 3hfa h ILE 24 CO -0.30 0.35 -0.01 0.00 0.00 0.00 0.00 178.15 178.19 3hfa h ALA 25 N 0.83 1.25 -0.00 1.87 0.00 -0.85 -0.41 119.26 121.94 3hfa h ALA 25 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hfa h ALA 25 Cb 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3hfa h ALA 25 CO 0.03 0.01 -0.38 -2.13 0.00 0.00 0.00 179.25 176.78 3hfa n ARG 26 N -3.46 0.36 -2.54 0.00 0.63 -0.48 -3.80 116.66 107.37 3hfa n ARG 26 Ca -0.03 -0.21 -0.22 0.00 -0.92 0.00 0.00 57.85 56.47 3hfa n ARG 26 Cb 0.10 -1.50 0.04 0.00 0.45 0.00 0.00 32.46 31.55 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 -2.78 3.70 0.62 5.13 0.00 -0.46 -4.89 121.76 123.08 3hfa s ALA 27 Ca 0.17 -1.21 -0.14 0.00 0.00 0.00 0.00 51.96 50.79 3hfa s ALA 27 Cb 0.18 -2.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.06 3hfa s ALA 27 CO 0.62 -0.87 1.04 0.15 0.00 0.00 0.00 175.76 176.70 3hfa s LYS 28 N -4.87 3.34 0.29 0.00 1.02 -1.26 -1.74 119.74 116.51 3hfa s LYS 28 Ca 0.58 1.02 -0.01 0.00 0.02 0.00 0.00 55.97 57.58 3hfa s LYS 28 Cb -0.10 -2.04 -0.04 0.00 -0.52 0.00 0.00 37.83 35.12 3hfa s LYS 28 CO 0.40 -0.78 0.51 -1.12 -0.92 0.00 0.00 175.35 173.44 3hfa s SER 29 N -3.34 6.36 -0.03 2.83 0.01 -1.26 -4.28 113.70 113.98 3hfa s SER 29 Ca 0.60 0.50 -0.04 0.00 1.31 0.00 0.00 55.95 58.32 3hfa s SER 29 Cb -0.14 -2.05 0.01 0.00 0.21 0.00 0.00 66.02 64.05 3hfa s SER 29 CO 0.44 -0.20 0.11 -0.69 0.41 0.00 0.00 173.24 173.30 3hfa s VAL 30 N -2.14 0.02 0.07 3.43 1.01 0.19 -1.63 120.40 121.34 3hfa s VAL 30 Ca 0.41 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 62.30 3hfa s VAL 30 Cb -0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 3hfa s VAL 30 CO 0.33 -0.08 -0.16 0.68 0.00 0.00 0.00 175.10 175.87 3hfa s VAL 31 N -0.22 1.26 -0.07 2.92 -7.23 -0.10 -0.76 120.40 116.19 3hfa s VAL 31 Ca -0.03 -1.26 0.02 0.00 -1.81 0.00 0.00 61.98 58.91 3hfa s VAL 31 Cb -0.02 -1.17 0.01 0.00 0.56 0.00 0.00 36.38 35.76 3hfa s VAL 31 CO 0.00 -0.10 -0.13 0.00 -0.31 0.00 0.00 175.10 174.56 3hfa s ALA 32 N -1.10 1.36 -0.05 1.32 0.00 -0.16 -1.30 121.76 121.82 3hfa s ALA 32 Ca 0.01 -0.48 0.03 0.00 0.00 0.00 0.00 51.96 51.53 3hfa s ALA 32 Cb -0.09 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.43 3hfa s ALA 32 CO 0.02 0.11 -0.13 -0.51 0.00 0.00 0.00 175.76 175.25 3hfa s LEU 33 N 0.67 1.75 0.26 0.00 1.02 -0.27 -0.76 118.68 121.35 3hfa s LEU 33 Ca -0.14 -0.30 -0.30 0.00 0.02 0.00 0.00 54.13 53.41 3hfa s LEU 33 Cb -0.16 -0.83 -0.09 0.00 0.02 0.00 0.00 46.19 45.13 3hfa s LEU 33 CO 0.04 0.08 1.22 0.00 0.02 0.00 0.00 176.35 177.71 3hfa s ALA 34 N 0.40 3.47 0.28 4.21 0.00 0.01 -0.96 121.76 129.16 3hfa s ALA 34 Ca -0.10 1.06 -0.00 0.00 0.00 0.00 0.00 51.96 52.92 3hfa s ALA 34 Cb -0.13 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 3hfa s ALA 34 CO 0.03 -0.42 0.30 1.52 0.00 0.00 0.00 175.76 177.18 3hfa s TYR 35 N -0.64 1.24 0.29 0.00 -0.85 0.17 -4.59 117.35 112.98 3hfa s TYR 35 Ca 0.50 -1.38 -0.01 0.00 -0.52 0.00 0.00 57.07 55.67 3hfa s TYR 35 Cb -0.35 -0.41 0.48 0.00 0.38 0.00 0.00 41.96 42.05 3hfa s TYR 35 CO 0.43 -0.87 1.92 0.00 -1.52 0.00 0.00 175.55 175.50 3hfa h ALA 36 N 2.31 1.46 -0.01 9.51 0.00 -1.16 -2.18 119.26 129.19 3hfa h ALA 36 Ca -0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3hfa h ALA 36 Cb 1.24 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3hfa h ALA 36 CO 0.42 0.42 -0.14 0.41 0.00 0.00 0.00 179.25 180.36 3hfa n GLY 37 N -1.39 -0.51 0.00 0.00 0.00 -1.26 -5.01 105.19 97.01 3hfa n GLY 37 Ca 0.13 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 1.27 0.33 3.57 -0.02 0.00 -0.82 -1.12 105.19 108.39 3hfa n GLY 38 Ca 0.15 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 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 3.72 -0.12 1.61 1.01 -0.82 0.46 120.40 122.26 3hfa s VAL 39 Ca 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.52 3hfa s VAL 39 Cb 0.00 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 3hfa s VAL 39 CO 0.00 0.59 -0.14 -0.22 0.00 0.00 0.00 175.10 175.33 3hfa s LEU 40 N -0.69 2.66 -0.15 3.92 2.96 -0.13 -0.29 118.68 126.96 3hfa s LEU 40 Ca 0.10 -0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 53.66 3hfa s LEU 40 Cb -0.11 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 3hfa s LEU 40 CO 0.02 0.19 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.81 3hfa s PHE 41 N 0.20 2.94 -0.06 5.38 0.08 0.19 -1.11 117.98 125.60 3hfa s PHE 41 Ca -0.08 -0.48 -0.01 0.00 0.12 0.00 0.00 56.93 56.48 3hfa s PHE 41 Cb -0.15 -1.93 0.03 0.00 -0.57 0.00 0.00 43.02 40.39 3hfa s PHE 41 CO 0.05 -0.15 -0.01 0.08 -0.10 0.00 0.00 175.22 175.09 3hfa s VAL 42 N 0.48 0.39 -0.01 -0.44 1.01 -0.42 -2.21 120.40 119.21 3hfa s VAL 42 Ca -0.06 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.03 3hfa s VAL 42 Cb -0.15 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 3hfa s VAL 42 CO 0.03 0.24 -0.13 0.00 0.00 0.00 0.00 175.10 175.24 3hfa s ALA 43 N 1.61 1.11 -0.19 5.51 0.00 -0.50 -0.93 121.76 128.38 3hfa s ALA 43 Ca -0.01 -0.58 -0.29 0.00 0.00 0.00 0.00 51.96 51.08 3hfa s ALA 43 Cb -0.13 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.67 3hfa s ALA 43 CO -0.04 0.27 1.92 -1.21 0.00 0.00 0.00 175.76 176.71 3hfa s GLU 44 N -0.35 3.56 -0.27 0.00 2.02 -0.64 -1.19 118.70 121.84 3hfa s GLU 44 Ca 0.05 1.94 -0.01 0.00 0.02 0.00 0.00 54.97 56.97 3hfa s GLU 44 Cb -0.05 -4.20 0.15 0.00 0.10 0.00 0.00 34.13 30.13 3hfa s GLU 44 CO -0.00 -1.60 0.43 1.21 0.02 0.00 0.00 175.26 175.32 3hfa s ASN 45 N 5.97 -0.03 0.21 -0.19 3.84 0.04 -4.67 114.94 120.11 3hfa s ASN 45 Ca 0.86 0.16 0.01 0.00 0.21 0.00 0.00 52.86 54.10 3hfa s ASN 45 Cb -0.31 1.30 0.15 0.00 -0.55 0.00 0.00 41.25 41.85 3hfa s ASN 45 CO 0.34 -0.31 1.50 -0.65 -2.79 0.00 0.00 177.10 175.20 3hfa h PRO 46 N 8.14 0.34 -6.97 0.43 0.11 -1.79 -3.22 132.00 129.04 3hfa h PRO 46 Ca -0.16 -0.25 -0.55 0.00 0.11 0.00 0.00 66.00 65.14 3hfa h PRO 46 Cb 1.15 0.04 0.13 0.00 0.11 0.00 0.00 31.00 32.43 3hfa h PRO 46 CO 0.26 0.87 0.58 0.45 -0.21 0.00 0.00 178.00 179.96 3hfa n SER 47 N -3.86 2.75 0.07 -2.05 2.88 -1.26 -4.77 113.62 107.37 3hfa n SER 47 Ca -0.03 1.04 -0.12 0.00 -1.33 0.00 0.00 58.87 58.42 3hfa n SER 47 Cb 0.65 -1.56 -0.13 0.00 -0.75 0.00 0.00 64.21 62.42 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 1.77 0.15 0.00 -1.46 0.11 -1.93 -3.42 114.38 109.61 3hfa h ARG 48 Ca -0.50 -0.26 0.00 0.00 0.10 0.00 0.00 59.98 59.32 3hfa h ARG 48 Cb 1.29 0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.47 3hfa h ARG 48 CO 0.58 1.08 -0.52 -1.13 0.10 0.00 0.00 179.97 180.08 3hfa n SER 49 N -3.42 2.61 -4.64 0.08 3.41 -1.26 -5.00 113.62 105.40 3hfa n SER 49 Ca -0.07 -0.09 -0.40 0.00 -0.26 0.00 0.00 58.87 58.05 3hfa n SER 49 Cb 1.00 0.69 -0.07 0.00 -0.26 0.00 0.00 64.21 65.57 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 -1.91 4.10 -0.01 1.04 1.43 -1.26 -5.06 118.68 117.01 3hfa s LEU 50 Ca 0.00 0.62 0.04 0.00 -1.03 0.00 0.00 54.13 53.76 3hfa s LEU 50 Cb 0.00 -2.71 -0.03 0.00 0.03 0.00 0.00 46.19 43.48 3hfa s LEU 50 CO 0.00 -0.25 -0.11 -1.10 0.23 0.00 0.00 176.35 175.13 3hfa s GLN 51 N 2.02 2.47 0.00 1.70 -0.21 -1.26 -4.76 119.66 119.62 3hfa s GLN 51 Ca 0.23 -0.74 0.03 0.00 0.02 0.00 0.00 55.36 54.90 3hfa s GLN 51 Cb -0.16 -2.43 0.02 0.00 1.00 0.00 0.00 33.01 31.45 3hfa s GLN 51 CO 0.09 0.60 0.59 0.36 -2.12 0.00 0.00 175.29 174.82 3hfa n LYS 52 N 1.81 -0.36 -5.02 2.91 2.85 -1.26 -4.97 118.16 114.12 3hfa n LYS 52 Ca -0.16 -0.68 -0.28 0.00 -1.05 0.00 0.00 58.31 56.14 3hfa n LYS 52 Cb 0.52 -1.05 -0.15 0.00 -0.65 0.00 0.00 35.03 33.70 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 -0.30 1.75 -0.00 0.58 1.01 -1.26 -1.21 121.20 121.76 3hfa s ILE 53 Ca 0.04 -0.99 -0.28 0.00 0.00 0.00 0.00 60.65 59.41 3hfa s ILE 53 Cb 0.03 -1.46 0.07 0.00 0.01 0.00 0.00 42.46 41.10 3hfa s ILE 53 CO 0.04 0.45 0.64 -0.55 0.00 0.00 0.00 174.94 175.53 3hfa s SER 54 N -0.63 -0.62 0.34 3.58 0.15 0.36 -5.00 113.70 111.89 3hfa s SER 54 Ca 0.09 0.52 -0.27 0.00 0.70 0.00 0.00 55.95 56.98 3hfa s SER 54 Cb -0.09 0.54 -0.09 0.00 -1.71 0.00 0.00 66.02 64.67 3hfa s SER 54 CO -0.00 -0.69 1.16 -0.70 1.20 0.00 0.00 173.24 174.21 3hfa s GLU 55 N -1.79 4.35 -0.13 5.44 2.12 -1.26 -0.47 118.70 126.96 3hfa s GLU 55 Ca -0.08 1.88 -0.07 0.00 0.36 0.00 0.00 54.97 57.06 3hfa s GLU 55 Cb -0.00 -2.94 -0.06 0.00 0.26 0.00 0.00 34.13 31.39 3hfa s GLU 55 CO 0.04 -0.07 -0.17 1.28 -0.54 0.00 0.00 175.26 175.80 3hfa n LEU 56 N 0.64 0.93 0.00 2.70 4.77 -0.32 -4.83 117.00 120.89 3hfa n LEU 56 Ca 0.01 0.16 -0.10 0.00 -0.03 0.00 0.00 56.01 56.05 3hfa n LEU 56 Cb 0.45 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 3hfa n LEU 56 CO 0.53 0.26 0.23 0.00 -1.33 0.00 0.00 177.39 177.09 3hfa n TYR 57 N -3.59 -1.53 -0.35 -1.77 9.36 -0.92 -4.75 117.16 113.59 3hfa n TYR 57 Ca -0.26 -1.72 -0.06 0.00 3.32 0.00 0.00 57.90 59.18 3hfa n TYR 57 Cb 0.68 0.54 -0.04 0.00 -0.63 0.00 0.00 39.34 39.89 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 -1.62 -0.78 -0.44 2.98 8.00 -1.26 -1.89 116.55 121.54 3hfa n ASP 58 Ca -0.02 1.55 0.05 0.00 0.71 0.00 0.00 54.79 57.07 3hfa n ASP 58 Cb 0.47 -0.26 0.12 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 -5.18 2.80 -5.17 -1.24 5.12 -1.26 -0.80 116.66 110.93 3hfa n ARG 59 Ca 0.05 -2.03 -0.31 0.00 -1.93 0.00 0.00 57.85 53.63 3hfa n ARG 59 Cb 0.28 -1.28 -0.17 0.00 -1.16 0.00 0.00 32.46 30.13 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 -1.38 1.95 0.33 1.55 1.01 -0.79 -2.07 120.40 121.01 3hfa s VAL 60 Ca 0.19 -0.99 0.07 0.00 0.00 0.00 0.00 61.98 61.25 3hfa s VAL 60 Cb 0.13 -1.67 -0.07 0.00 0.00 0.00 0.00 36.38 34.77 3hfa s VAL 60 CO 0.09 0.54 -0.02 -0.83 0.00 0.00 0.00 175.10 174.88 3hfa s GLY 61 N 0.09 2.12 -0.01 4.51 0.00 0.10 -1.17 107.32 112.95 3hfa s GLY 61 Ca -0.10 -2.07 0.00 0.00 0.00 0.00 0.00 44.72 42.55 3hfa s GLY 61 CO 0.06 -1.94 0.01 -0.12 0.00 0.00 0.00 173.10 171.11 3hfa s PHE 62 N -2.92 0.07 0.00 1.90 5.36 0.38 -1.67 117.98 121.10 3hfa s PHE 62 Ca 0.33 0.04 -0.03 0.00 -0.96 0.00 0.00 56.93 56.31 3hfa s PHE 62 Cb 0.06 -0.14 -0.01 0.00 -0.34 0.00 0.00 43.02 42.60 3hfa s PHE 62 CO 0.15 -0.04 0.05 0.00 -1.46 0.00 0.00 175.22 173.92 3hfa s ALA 63 N 0.44 -0.10 0.02 11.12 0.00 -0.54 -0.48 121.76 132.22 3hfa s ALA 63 Ca -0.04 -0.26 -0.07 0.00 0.00 0.00 0.00 51.96 51.59 3hfa s ALA 63 Cb -0.06 0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.14 3hfa s ALA 63 CO -0.01 -0.15 0.12 0.00 0.00 0.00 0.00 175.76 175.72 3hfa s ALA 64 N -1.11 -0.25 0.12 0.00 0.00 -0.35 -0.30 121.76 119.88 3hfa s ALA 64 Ca -0.12 -0.27 0.09 0.00 0.00 0.00 0.00 51.96 51.66 3hfa s ALA 64 Cb -0.07 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 3hfa s ALA 64 CO 0.00 -0.25 -0.23 0.00 0.00 0.00 0.00 175.76 175.29 3hfa s ALA 65 N -1.79 2.05 0.00 0.00 0.00 -0.54 -4.86 121.76 116.61 3hfa s ALA 65 Ca -0.12 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.48 3hfa s ALA 65 Cb -0.06 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.78 3hfa s ALA 65 CO -0.00 0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.58 3hfa n GLY 66 N 0.91 0.18 3.66 0.00 0.00 -1.26 -1.45 105.19 107.24 3hfa n GLY 66 Ca -0.18 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.15 4.26 0.10 1.61 2.20 -0.47 -4.90 119.74 122.39 3hfa s LYS 67 Ca 0.00 1.51 -0.22 0.00 -0.36 0.00 0.00 55.97 56.90 3hfa s LYS 67 Cb 0.00 -3.69 -0.11 0.00 -1.51 0.00 0.00 37.83 32.51 3hfa s LYS 67 CO 0.00 -0.65 1.73 0.35 -0.36 0.00 0.00 175.35 176.42 3hfa h PHE 68 N 7.80 -0.06 -0.40 4.03 3.57 -1.95 -1.74 116.94 128.19 3hfa h PHE 68 Ca -0.23 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.32 3hfa h PHE 68 Cb 1.09 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.84 3hfa h PHE 68 CO 0.77 -0.04 0.27 -2.95 -2.23 0.00 0.00 178.31 174.13 3hfa h ASN 69 N -0.03 0.28 0.01 0.41 7.08 -1.99 0.68 115.58 122.02 3hfa h ASN 69 Ca 0.03 -0.00 -0.08 0.00 -3.08 0.00 0.00 56.30 53.17 3hfa h ASN 69 Cb 0.07 -0.06 0.01 0.00 -2.08 0.00 0.00 38.32 36.25 3hfa h ASN 69 CO -0.06 0.19 -0.32 -0.33 -2.08 0.00 0.00 177.43 174.83 3hfa h GLU 70 N 0.32 0.20 0.00 4.14 5.08 -1.80 -2.57 114.58 119.96 3hfa h GLU 70 Ca 0.18 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 3hfa h GLU 70 Cb 0.29 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3hfa h GLU 70 CO -0.04 0.97 -0.33 0.27 -1.00 0.00 0.00 179.01 178.88 3hfa h PHE 71 N -0.47 0.00 -0.51 4.33 -5.15 -1.12 -2.62 116.94 111.40 3hfa h PHE 71 Ca -0.04 0.00 -0.10 0.00 -0.20 0.00 0.00 57.97 57.63 3hfa h PHE 71 Cb 1.09 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.25 3hfa h PHE 71 CO 0.18 0.33 -0.06 0.22 -2.00 0.00 0.00 178.31 176.99 3hfa h ASP 72 N 0.00 0.94 -0.36 -0.68 3.58 -0.94 0.11 116.42 119.07 3hfa h ASP 72 Ca -0.00 -0.33 0.07 0.00 0.42 0.00 0.00 57.03 57.18 3hfa h ASP 72 Cb 0.97 -0.25 -0.07 0.00 1.72 0.00 0.00 39.33 41.69 3hfa h ASP 72 CO 0.04 1.05 -0.07 0.78 -2.88 0.00 0.00 179.24 178.17 3hfa h ASN 73 N 0.81 -0.29 -0.43 2.28 2.35 -1.24 -0.83 115.58 118.23 3hfa h ASN 73 Ca 0.14 0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.93 3hfa h ASN 73 Cb 0.61 0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.16 3hfa h ASN 73 CO 0.04 -0.10 0.05 -0.07 -1.65 0.00 0.00 177.43 175.70 3hfa h LEU 74 N 0.02 0.76 -0.04 1.61 3.38 -1.10 -0.28 115.31 119.66 3hfa h LEU 74 Ca 0.18 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3hfa h LEU 74 Cb 0.26 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3hfa h LEU 74 CO -0.36 0.80 -0.08 -0.09 0.09 0.00 0.00 178.44 178.80 3hfa h ARG 75 N 0.76 -0.11 -0.65 1.13 2.43 -0.32 -0.28 114.38 117.34 3hfa h ARG 75 Ca 0.16 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.26 3hfa h ARG 75 Cb 0.39 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 3hfa h ARG 75 CO 0.01 -0.07 0.11 0.00 -1.51 0.00 0.00 179.97 178.50 3hfa h ARG 76 N -0.11 1.06 -0.83 0.20 3.08 -0.79 -1.50 114.38 115.48 3hfa h ARG 76 Ca 0.04 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 3hfa h ARG 76 Cb 0.17 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 3hfa h ARG 76 CO -0.11 0.97 0.49 0.78 -1.07 0.00 0.00 179.97 181.03 3hfa h GLY 77 N 1.04 1.22 0.90 0.04 0.00 -0.82 -0.80 103.07 104.65 3hfa h GLY 77 Ca 0.20 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 3hfa h GLY 77 CO 0.01 0.51 0.08 -1.33 0.00 0.00 0.00 176.54 175.81 3hfa h GLY 78 N 1.15 0.50 1.01 4.60 0.00 -0.62 0.41 103.07 110.11 3hfa h GLY 78 Ca 0.30 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hfa h GLY 78 CO -0.05 0.28 0.49 -2.22 0.00 0.00 0.00 176.54 175.04 3hfa h ILE 79 N 0.31 1.21 -0.29 2.60 2.04 -1.13 0.13 117.51 122.38 3hfa h ILE 79 Ca 0.09 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3hfa h ILE 79 Cb 0.26 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 3hfa h ILE 79 CO -0.00 0.21 0.19 -0.61 0.00 0.00 0.00 178.15 177.94 3hfa h GLN 80 N 1.05 0.38 -0.04 2.37 5.75 -0.92 -1.00 115.11 122.71 3hfa h GLN 80 Ca 0.28 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.75 3hfa h GLN 80 Cb -0.09 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 28.38 3hfa h GLN 80 CO -0.06 0.26 0.02 0.35 -2.65 0.00 0.00 178.83 176.76 3hfa h PHE 81 N 0.39 0.06 0.02 3.99 3.57 -0.22 -2.06 116.94 122.69 3hfa h PHE 81 Ca 0.11 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 3hfa h PHE 81 Cb -0.04 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.68 3hfa h PHE 81 CO -0.06 0.10 -0.01 0.00 -2.23 0.00 0.00 178.31 176.11 3hfa h ALA 82 N 0.95 -0.03 -0.60 2.41 0.00 -0.63 -1.03 119.26 120.34 3hfa h ALA 82 Ca 0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3hfa h ALA 82 Cb 0.06 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3hfa h ALA 82 CO -0.00 -0.51 0.20 -0.44 0.00 0.00 0.00 179.25 178.50 3hfa h ASP 83 N -0.05 0.83 -0.07 0.00 3.32 -1.17 -0.49 116.42 118.78 3hfa h ASP 83 Ca -0.00 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 3hfa h ASP 83 Cb 0.04 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 3hfa h ASP 83 CO 0.00 0.77 0.02 0.74 -1.72 0.00 0.00 179.24 179.05 3hfa h THR 84 N 0.87 1.20 -0.30 0.35 2.02 -1.18 -1.81 112.91 114.06 3hfa h THR 84 Ca 0.20 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.77 3hfa h THR 84 Cb 0.24 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 3hfa h THR 84 CO -0.01 0.17 0.19 0.03 0.37 0.00 0.00 175.52 176.27 3hfa h ARG 85 N -0.10 0.40 -0.94 6.66 2.47 -0.86 0.46 114.38 122.46 3hfa h ARG 85 Ca 0.02 -0.03 0.07 0.00 -1.26 0.00 0.00 59.98 58.78 3hfa h ARG 85 Cb 0.26 -0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 28.43 3hfa h ARG 85 CO 0.00 0.29 0.61 0.78 0.56 0.00 0.00 179.97 182.21 3hfa h GLY 86 N 0.39 1.40 1.43 0.04 0.00 -1.08 0.17 103.07 105.43 3hfa h GLY 86 Ca 0.11 -0.43 -0.25 0.00 0.00 0.00 0.00 47.33 46.76 3hfa h GLY 86 CO -0.02 0.29 -1.02 -1.82 0.00 0.00 0.00 176.54 173.96 3hfa h TYR 87 N 1.05 0.76 0.00 5.60 3.20 -0.87 -3.07 116.97 123.64 3hfa h TYR 87 Ca 0.41 -0.43 -0.14 0.00 3.14 0.00 0.00 58.73 61.71 3hfa h TYR 87 Cb 0.24 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 3hfa h TYR 87 CO -0.00 1.26 -0.66 0.00 -1.64 0.00 0.00 178.16 177.12 3hfa h ALA 88 N 0.59 0.80 -3.00 1.82 0.00 -0.43 -3.45 119.26 115.60 3hfa h ALA 88 Ca -0.11 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3hfa h ALA 88 Cb 1.68 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3hfa h ALA 88 CO 0.19 0.83 0.00 0.66 0.00 0.00 0.00 179.25 180.93 3hfa n TYR 89 N -3.60 0.00 -3.91 0.00 4.01 0.57 -5.08 117.16 109.13 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 0.69 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.63 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 0.55 0.19 0.25 7.72 2.15 -1.16 -4.96 116.67 121.41 3hfa s ASP 90 Ca 0.00 -0.66 -0.04 0.00 0.43 0.00 0.00 52.55 52.28 3hfa s ASP 90 Cb 0.00 0.28 0.48 0.00 -0.30 0.00 0.00 42.92 43.38 3hfa s ASP 90 CO 0.00 -0.64 1.70 0.03 -0.17 0.00 0.00 175.17 176.09 3hfa h ARG 91 N 3.09 0.34 0.00 4.34 3.08 -1.89 0.09 114.38 123.43 3hfa h ARG 91 Ca -0.33 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.70 3hfa h ARG 91 Cb 1.18 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.16 3hfa h ARG 91 CO 0.56 0.22 0.00 0.54 -1.07 0.00 0.00 179.97 180.22 3hfa n ARG 92 N -5.09 0.03 0.01 0.04 5.12 -1.26 -1.53 116.66 113.97 3hfa n ARG 92 Ca 0.15 0.41 0.12 0.00 -1.93 0.00 0.00 57.85 56.60 3hfa n ARG 92 Cb 0.45 -1.57 0.29 0.00 -1.16 0.00 0.00 32.46 30.47 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 -1.63 0.46 -4.69 0.55 8.00 0.02 -4.81 116.55 114.44 3hfa n ASP 93 Ca 0.01 -0.12 -0.41 0.00 0.71 0.00 0.00 54.79 54.98 3hfa n ASP 93 Cb 0.09 0.15 -0.04 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 -3.02 4.95 0.14 2.53 1.01 -0.59 -5.01 120.40 120.42 3hfa s VAL 94 Ca 0.11 1.59 0.05 0.00 0.00 0.00 0.00 61.98 63.72 3hfa s VAL 94 Cb 0.17 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 3hfa s VAL 94 CO 0.68 0.13 -0.10 0.42 0.00 0.00 0.00 175.10 176.23 3hfa s THR 95 N 1.48 1.16 0.22 3.92 -4.23 -1.26 -4.99 115.64 111.93 3hfa s THR 95 Ca 0.39 -1.98 -0.09 0.00 -1.18 0.00 0.00 61.69 58.83 3hfa s THR 95 Cb -0.17 -1.76 0.18 0.00 1.34 0.00 0.00 72.50 72.08 3hfa s THR 95 CO 0.16 -0.70 1.85 1.23 -0.54 0.00 0.00 174.62 176.63 3hfa h GLY 96 N 2.94 1.21 0.62 3.99 0.00 -1.93 -2.22 103.07 107.68 3hfa h GLY 96 Ca -0.37 -0.52 0.05 0.00 0.00 0.00 0.00 47.33 46.49 3hfa h GLY 96 CO 0.61 0.50 0.10 -0.09 0.00 0.00 0.00 176.54 177.66 3hfa h ARG 97 N 1.13 0.23 -0.36 4.80 2.43 -1.96 0.11 114.38 120.76 3hfa h ARG 97 Ca 0.29 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.50 3hfa h ARG 97 Cb -0.01 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.44 3hfa h ARG 97 CO -0.05 0.15 0.08 0.37 -1.51 0.00 0.00 179.97 179.01 3hfa h GLN 98 N 0.24 0.21 -0.50 0.20 4.15 -1.88 0.58 115.11 118.09 3hfa h GLN 98 Ca 0.17 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.51 3hfa h GLN 98 Cb 0.17 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 3hfa h GLN 98 CO -0.20 0.14 0.03 -0.07 -1.93 0.00 0.00 178.83 176.80 3hfa h LEU 99 N 0.21 0.84 -0.75 -2.39 3.38 -0.85 -1.34 115.31 114.41 3hfa h LEU 99 Ca 0.17 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3hfa h LEU 99 Cb 0.19 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3hfa h LEU 99 CO -0.21 0.92 0.42 0.00 0.09 0.00 0.00 178.44 179.65 3hfa h ALA 100 N 0.95 0.96 -0.60 1.53 0.00 -0.44 -0.48 119.26 121.17 3hfa h ALA 100 Ca 0.15 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3hfa h ALA 100 Cb 0.47 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3hfa h ALA 100 CO 0.02 0.46 0.38 -0.97 0.00 0.00 0.00 179.25 179.14 3hfa h ASN 101 N 1.03 0.65 0.11 0.00 -0.73 -0.62 -0.61 115.58 115.40 3hfa h ASN 101 Ca 0.26 -0.01 -0.13 0.00 1.87 0.00 0.00 56.30 58.29 3hfa h ASN 101 Cb 0.02 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.45 3hfa h ASN 101 CO -0.04 0.46 -0.47 1.62 -0.37 0.00 0.00 177.43 178.63 3hfa h VAL 102 N 0.77 1.32 -0.55 2.57 3.04 -0.69 -2.14 116.25 120.57 3hfa h VAL 102 Ca 0.23 -1.68 -0.09 0.00 -1.01 0.00 0.00 66.70 64.15 3hfa h VAL 102 Cb -0.04 1.71 -0.02 0.00 -2.01 0.00 0.00 31.29 30.92 3hfa h VAL 102 CO -0.07 0.51 -0.00 1.88 -1.01 0.00 0.00 177.57 178.88 3hfa h TYR 103 N 0.35 1.06 -0.12 3.17 0.05 -0.78 -0.17 116.97 120.52 3hfa h TYR 103 Ca 0.02 -0.18 0.04 0.00 0.05 0.00 0.00 58.73 58.65 3hfa h TYR 103 Cb 0.96 -0.28 -0.04 0.00 1.01 0.00 0.00 36.73 38.38 3hfa h TYR 103 CO 0.03 0.96 -0.11 0.00 -1.05 0.00 0.00 178.16 177.99 3hfa h ALA 104 N 0.96 -0.02 -0.64 3.88 0.00 -0.89 0.15 119.26 122.70 3hfa h ALA 104 Ca 0.16 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3hfa h ALA 104 Cb 0.54 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3hfa h ALA 104 CO 0.03 -0.56 0.36 0.37 0.00 0.00 0.00 179.25 179.45 3hfa h GLN 105 N -0.13 0.89 -0.05 0.00 4.15 -1.28 -0.61 115.11 118.08 3hfa h GLN 105 Ca 0.08 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 3hfa h GLN 105 Cb 0.25 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.76 3hfa h GLN 105 CO -0.20 0.66 0.00 1.15 -1.93 0.00 0.00 178.83 178.51 3hfa h THR 106 N 0.87 1.24 -0.26 2.39 2.02 -0.55 -1.89 112.91 116.74 3hfa h THR 106 Ca 0.23 -0.73 -0.09 0.00 0.77 0.00 0.00 66.41 66.59 3hfa h THR 106 Cb 0.03 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 3hfa h THR 106 CO -0.04 0.20 -0.21 -0.07 0.37 0.00 0.00 175.52 175.77 3hfa h LEU 107 N -0.20 0.46 -0.43 2.58 3.38 -0.68 -0.37 115.31 120.05 3hfa h LEU 107 Ca 0.01 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.86 3hfa h LEU 107 Cb 0.31 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3hfa h LEU 107 CO 0.00 0.68 0.26 1.23 0.09 0.00 0.00 178.44 180.70 3hfa h GLY 108 N 0.98 0.60 0.91 0.83 0.00 -1.01 0.23 103.07 105.62 3hfa h GLY 108 Ca 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 3hfa h GLY 108 CO 0.04 0.18 0.07 -0.84 0.00 0.00 0.00 176.54 176.00 3hfa h THR 109 N 0.53 1.23 -0.45 4.70 2.02 -0.93 -2.82 112.91 117.19 3hfa h THR 109 Ca 0.16 -0.77 0.01 0.00 0.77 0.00 0.00 66.41 66.58 3hfa h THR 109 Cb -0.02 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 3hfa h THR 109 CO -0.06 0.26 0.30 0.40 0.37 0.00 0.00 175.52 176.78 3hfa h ILE 110 N 0.39 1.11 -0.58 3.11 2.04 -0.80 -1.15 117.51 121.64 3hfa h ILE 110 Ca 0.10 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.77 3hfa h ILE 110 Cb 0.31 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 3hfa h ILE 110 CO 0.00 0.11 0.38 0.15 0.00 0.00 0.00 178.15 178.80 3hfa h PHE 111 N 0.61 0.69 0.00 1.37 3.57 -0.43 -1.49 116.94 121.26 3hfa h PHE 111 Ca 0.17 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.61 3hfa h PHE 111 Cb -0.06 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 3hfa h PHE 111 CO -0.05 0.42 -1.73 0.25 -2.23 0.00 0.00 178.31 174.98 3hfa n THR 112 N -4.46 0.50 -0.00 4.41 -2.24 -1.07 -4.68 114.28 106.74 3hfa n THR 112 Ca 0.06 -0.59 -0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3hfa n THR 112 Cb 0.09 -0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 68.06 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 -2.51 2.11 -1.64 -0.78 1.02 -0.46 -5.04 120.64 113.34 3hfa n GLU 113 Ca -0.08 -0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.72 3hfa n GLU 113 Cb 0.68 -1.02 0.06 0.00 -0.02 0.00 0.00 31.44 31.14 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 -2.04 2.55 0.21 3.49 2.00 -0.57 -4.93 119.66 120.38 3hfa s GLN 114 Ca -0.00 1.55 -0.09 0.00 -2.00 0.00 0.00 55.36 54.81 3hfa s GLN 114 Cb 0.00 -1.91 0.23 0.00 0.80 0.00 0.00 33.01 32.14 3hfa s GLN 114 CO 0.04 -1.47 1.81 0.00 -0.50 0.00 0.00 175.29 175.17 3hfa h ALA 115 N -0.06 0.89 -3.90 1.58 0.00 -1.96 -3.41 119.26 112.40 3hfa h ALA 115 Ca -0.47 0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.08 3hfa h ALA 115 Cb 1.27 -0.14 -0.28 0.00 0.00 0.00 0.00 17.79 18.64 3hfa h ALA 115 CO 0.52 0.07 -0.77 0.21 0.00 0.00 0.00 179.25 179.29 3hfa s LYS 116 N -6.10 0.64 0.46 0.00 2.20 -1.26 -5.14 119.74 110.54 3hfa s LYS 116 Ca -0.13 -0.36 -0.23 0.00 -0.36 0.00 0.00 55.97 54.89 3hfa s LYS 116 Cb 0.16 -0.61 -0.07 0.00 -1.51 0.00 0.00 37.83 35.80 3hfa s LYS 116 CO 0.76 0.16 1.20 -2.14 -0.36 0.00 0.00 175.35 174.98 3hfa s PRO 117 N -0.38 3.74 0.08 4.03 0.02 -1.26 -4.92 135.00 136.31 3hfa s PRO 117 Ca 0.02 1.88 -0.31 0.00 0.02 0.00 0.00 61.00 62.61 3hfa s PRO 117 Cb -0.04 -2.46 -0.06 0.00 0.02 0.00 0.00 34.50 31.95 3hfa s PRO 117 CO -0.00 -0.59 1.27 0.71 -0.33 0.00 0.00 177.00 178.05 3hfa s TYR 118 N -1.46 3.37 -1.24 6.54 1.51 -1.26 -4.88 117.35 119.93 3hfa s TYR 118 Ca 0.63 1.17 -0.10 0.00 -1.01 0.00 0.00 57.07 57.77 3hfa s TYR 118 Cb -0.31 -3.52 0.19 0.00 -0.11 0.00 0.00 41.96 38.21 3hfa s TYR 118 CO 0.38 -1.68 1.72 0.39 -1.11 0.00 0.00 175.55 175.25 3hfa n GLU 119 N 3.93 3.67 -4.00 -0.62 1.02 -1.26 -4.79 120.64 118.60 3hfa n GLU 119 Ca 0.10 -3.74 -0.08 0.00 -0.02 0.00 0.00 57.16 53.41 3hfa n GLU 119 Cb 0.45 -2.89 -0.10 0.00 -0.02 0.00 0.00 31.44 28.88 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 0.19 0.16 -0.03 2.62 -7.23 -1.26 -1.37 120.40 113.49 3hfa s VAL 120 Ca 0.39 -1.35 0.01 0.00 -1.81 0.00 0.00 61.98 59.22 3hfa s VAL 120 Cb 0.06 -1.07 0.02 0.00 0.56 0.00 0.00 36.38 35.95 3hfa s VAL 120 CO 0.01 -0.75 -0.04 -0.70 -0.31 0.00 0.00 175.10 173.32 3hfa s GLU 121 N -3.03 0.62 0.08 4.82 2.12 -0.53 -3.27 118.70 119.53 3hfa s GLU 121 Ca -0.01 -0.10 0.08 0.00 0.36 0.00 0.00 54.97 55.29 3hfa s GLU 121 Cb 0.01 -0.66 -0.04 0.00 0.26 0.00 0.00 34.13 33.71 3hfa s GLU 121 CO -0.07 -0.03 -0.18 -0.51 -0.54 0.00 0.00 175.26 173.93 3hfa s LEU 122 N 0.61 2.65 -0.10 2.70 1.43 0.17 -1.47 118.68 124.68 3hfa s LEU 122 Ca -0.08 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 52.55 3hfa s LEU 122 Cb -0.11 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.59 3hfa s LEU 122 CO -0.00 0.21 -0.19 0.00 0.23 0.00 0.00 176.35 176.60 3hfa s VAL 124 N 0.60 3.31 0.10 0.00 1.01 -0.23 -1.47 120.40 123.73 3hfa s VAL 124 Ca -0.14 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.35 3hfa s VAL 124 Cb -0.17 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 3hfa s VAL 124 CO 0.04 0.50 -0.20 0.00 0.00 0.00 0.00 175.10 175.45 3hfa s ALA 125 N 0.48 1.72 -0.01 5.51 0.00 -0.67 -0.26 121.76 128.53 3hfa s ALA 125 Ca -0.07 -1.22 -0.00 0.00 0.00 0.00 0.00 51.96 50.67 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 0.33 0.02 -2.00 0.00 0.00 0.00 175.76 174.14 3hfa s GLU 126 N -1.93 -0.00 0.39 0.00 2.12 -0.37 -0.73 118.70 118.18 3hfa s GLU 126 Ca 0.06 0.06 0.08 0.00 0.36 0.00 0.00 54.97 55.52 3hfa s GLU 126 Cb -0.10 -0.06 -0.05 0.00 0.26 0.00 0.00 34.13 34.18 3hfa s GLU 126 CO 0.04 -0.04 0.13 0.14 -0.54 0.00 0.00 175.26 174.99 3hfa s VAL 127 N 0.28 2.48 0.96 3.70 -7.23 -0.88 -1.00 120.40 118.70 3hfa s VAL 127 Ca -0.02 -1.76 -0.11 0.00 -1.81 0.00 0.00 61.98 58.27 3hfa s VAL 127 Cb -0.03 -2.95 0.17 0.00 0.56 0.00 0.00 36.38 34.12 3hfa s VAL 127 CO -0.01 -0.07 1.10 0.00 -0.31 0.00 0.00 175.10 175.81 3hfa s ALA 128 N -2.56 1.08 0.47 1.32 0.00 -1.26 -4.87 121.76 115.94 3hfa s ALA 128 Ca 0.39 0.19 -0.16 0.00 0.00 0.00 0.00 51.96 52.38 3hfa s ALA 128 Cb 0.02 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.76 3hfa s ALA 128 CO 0.22 -2.82 0.92 -1.01 0.00 0.00 0.00 175.76 173.07 3hfa s HIS 129 N -2.71 3.43 0.14 0.00 3.76 -1.26 -4.80 115.29 113.86 3hfa s HIS 129 Ca 0.66 1.38 -0.34 0.00 -0.15 0.00 0.00 55.06 56.60 3hfa s HIS 129 Cb -0.21 -2.71 -0.16 0.00 1.11 0.00 0.00 32.58 30.61 3hfa s HIS 129 CO 0.59 -0.25 1.15 0.98 -0.85 0.00 0.00 174.74 176.36 3hfa n TYR 130 N -1.33 1.18 -1.01 1.40 9.36 -1.26 -1.13 117.16 124.37 3hfa n TYR 130 Ca 0.06 0.72 -0.00 0.00 3.32 0.00 0.00 57.90 61.99 3hfa n TYR 130 Cb 0.54 -2.26 -0.00 0.00 -0.63 0.00 0.00 39.34 36.99 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 2.06 0.37 3.37 2.98 0.00 -1.26 -5.02 105.19 107.69 3hfa n GLY 131 Ca 0.16 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 3hfa n GLY 131 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hfa s GLU 132 N -0.76 1.39 -0.20 1.61 -1.05 -0.29 -5.12 118.70 114.28 3hfa s GLU 132 Ca 0.00 -1.51 -0.05 0.00 -0.15 0.00 0.00 54.97 53.26 3hfa s GLU 132 Cb 0.00 -1.47 -0.02 0.00 -0.44 0.00 0.00 34.13 32.19 3hfa s GLU 132 CO 0.00 0.29 0.00 0.95 0.95 0.00 0.00 175.26 177.46 3hfa s THR 133 N -2.16 3.96 -0.28 1.83 -4.23 -1.26 -4.60 115.64 108.91 3hfa s THR 133 Ca 0.20 -0.31 -0.22 0.00 -1.18 0.00 0.00 61.69 60.18 3hfa s THR 133 Cb -0.05 -2.79 0.10 0.00 1.34 0.00 0.00 72.50 71.09 3hfa s THR 133 CO 0.09 0.42 0.85 -0.75 -0.54 0.00 0.00 174.62 174.69 3hfa s LYS 134 N 1.04 0.64 0.50 3.99 2.20 -1.26 -5.05 119.74 121.79 3hfa s LYS 134 Ca 0.02 0.88 -0.24 0.00 -0.36 0.00 0.00 55.97 56.27 3hfa s LYS 134 Cb -0.14 0.25 -0.07 0.00 -1.51 0.00 0.00 37.83 36.36 3hfa s LYS 134 CO 0.02 -0.10 1.39 1.03 -0.36 0.00 0.00 175.35 177.33 3hfa s ARG 135 N 0.77 3.43 0.41 4.03 0.52 -1.26 -4.35 118.95 122.50 3hfa s ARG 135 Ca -0.03 2.33 -0.24 0.00 -0.52 0.00 0.00 55.73 57.28 3hfa s ARG 135 Cb -0.05 -2.47 -0.09 0.00 0.52 0.00 0.00 34.95 32.87 3hfa s ARG 135 CO -0.08 -0.99 1.07 -2.14 0.02 0.00 0.00 175.30 173.18 3hfa s PRO 136 N -2.67 4.07 -0.09 3.54 0.02 -1.26 -4.75 135.00 133.86 3hfa s PRO 136 Ca 0.66 1.56 0.02 0.00 0.02 0.00 0.00 61.00 63.27 3hfa s PRO 136 Cb -0.42 -2.50 -0.01 0.00 0.02 0.00 0.00 34.50 31.59 3hfa s PRO 136 CO 0.52 -0.24 -0.17 -1.21 -0.33 0.00 0.00 177.00 175.57 3hfa s GLU 137 N -2.57 2.98 -0.10 5.54 2.02 -0.17 -4.97 118.70 121.42 3hfa s GLU 137 Ca 0.59 -0.76 0.04 0.00 0.02 0.00 0.00 54.97 54.86 3hfa s GLU 137 Cb -0.23 -2.44 0.00 0.00 0.10 0.00 0.00 34.13 31.56 3hfa s GLU 137 CO 0.29 0.34 -0.23 -0.51 0.02 0.00 0.00 175.26 175.17 3hfa s LEU 138 N -0.00 2.05 -0.02 1.80 1.43 -1.23 -1.24 118.68 121.47 3hfa s LEU 138 Ca -0.05 -0.55 0.08 0.00 -1.03 0.00 0.00 54.13 52.58 3hfa s LEU 138 Cb -0.15 -1.37 -0.02 0.00 0.03 0.00 0.00 46.19 44.69 3hfa s LEU 138 CO 0.05 0.14 -0.26 -0.31 0.23 0.00 0.00 176.35 176.19 3hfa s TYR 139 N 0.45 2.32 -0.15 0.29 2.02 0.64 -0.58 117.35 122.34 3hfa s TYR 139 Ca -0.17 -0.46 0.01 0.00 -0.37 0.00 0.00 57.07 56.09 3hfa s TYR 139 Cb -0.17 -1.49 0.01 0.00 -0.40 0.00 0.00 41.96 39.90 3hfa s TYR 139 CO 0.07 -0.05 -0.18 0.50 -1.57 0.00 0.00 175.55 174.31 3hfa s ARG 140 N -0.57 3.12 -0.16 -0.62 3.00 0.39 -1.06 118.95 123.04 3hfa s ARG 140 Ca 0.09 -0.80 -0.00 0.00 -1.00 0.00 0.00 55.73 54.02 3hfa s ARG 140 Cb -0.10 -2.56 -0.00 0.00 0.00 0.00 0.00 34.95 32.29 3hfa s ARG 140 CO -0.01 -0.03 -0.14 0.42 0.00 0.00 0.00 175.30 175.54 3hfa s ILE 141 N 0.89 2.74 0.56 4.11 1.09 0.12 -1.67 121.20 129.03 3hfa s ILE 141 Ca -0.04 -0.74 0.08 0.00 -1.10 0.00 0.00 60.65 58.84 3hfa s ILE 141 Cb -0.15 -2.17 0.07 0.00 -1.06 0.00 0.00 42.46 39.15 3hfa s ILE 141 CO -0.02 0.51 0.77 0.42 -0.10 0.00 0.00 174.94 176.51 3hfa s THR 142 N 0.92 2.36 0.61 2.92 -4.23 -0.54 -0.65 115.64 117.02 3hfa s THR 142 Ca -0.03 -0.94 0.33 0.00 -1.18 0.00 0.00 61.69 59.87 3hfa s THR 142 Cb -0.15 -2.42 0.38 0.00 1.34 0.00 0.00 72.50 71.65 3hfa s THR 142 CO -0.01 0.00 2.27 0.10 -0.54 0.00 0.00 174.62 176.43 3hfa h TYR 143 N 0.19 0.00 -0.25 3.99 -0.00 -1.86 -0.81 116.97 118.24 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 0.35 0.00 0.00 -0.40 -0.00 0.00 0.00 178.16 178.11 3hfa n ASP 144 N -3.63 2.91 0.00 0.10 5.75 -1.26 -4.51 116.55 115.91 3hfa n ASP 144 Ca -0.03 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 3hfa n ASP 144 Cb 0.11 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 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 1.38 0.69 3.76 6.12 0.00 -0.31 -4.05 105.19 112.78 3hfa n GLY 145 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 5.68 0.01 1.61 0.01 -1.26 -4.62 113.70 112.24 3hfa s SER 146 Ca 0.00 2.72 0.01 0.00 1.31 0.00 0.00 55.95 59.99 3hfa s SER 146 Cb 0.00 -2.64 -0.01 0.00 0.21 0.00 0.00 66.02 63.58 3hfa s SER 146 CO 0.00 -1.29 -0.04 -0.51 0.41 0.00 0.00 173.24 171.81 3hfa s ILE 147 N -1.31 0.29 -0.12 1.44 2.07 -1.26 -1.47 121.20 120.83 3hfa s ILE 147 Ca 0.66 -0.49 -0.09 0.00 -1.41 0.00 0.00 60.65 59.31 3hfa s ILE 147 Cb -0.39 -0.31 0.04 0.00 0.13 0.00 0.00 42.46 41.93 3hfa s ILE 147 CO 0.48 -0.14 0.31 0.00 -1.91 0.00 0.00 174.94 173.68 3hfa s ALA 148 N -0.62 -0.77 -0.09 1.50 0.00 -0.67 -5.00 121.76 116.11 3hfa s ALA 148 Ca -0.04 1.01 -0.12 0.00 0.00 0.00 0.00 51.96 52.80 3hfa s ALA 148 Cb -0.05 -0.60 -0.05 0.00 0.00 0.00 0.00 23.12 22.42 3hfa s ALA 148 CO -0.00 -0.18 0.30 0.16 0.00 0.00 0.00 175.76 176.04 3hfa s ASP 149 N 0.59 6.57 0.00 0.00 1.47 -1.26 -0.46 116.67 123.59 3hfa s ASP 149 Ca -0.03 0.68 0.04 0.00 1.18 0.00 0.00 52.55 54.42 3hfa s ASP 149 Cb -0.05 -2.18 -0.03 0.00 -0.34 0.00 0.00 42.92 40.32 3hfa s ASP 149 CO -0.04 0.26 -0.11 -1.61 0.68 0.00 0.00 175.17 174.36 3hfa s GLU 150 N -0.51 2.41 0.03 2.11 0.41 0.25 -4.99 118.70 118.41 3hfa s GLU 150 Ca 0.19 -0.79 -0.04 0.00 -0.41 0.00 0.00 54.97 53.93 3hfa s GLU 150 Cb -0.14 -2.39 -0.28 0.00 -1.78 0.00 0.00 34.13 29.54 3hfa s GLU 150 CO 0.08 0.59 0.97 -1.00 -0.49 0.00 0.00 175.26 175.41 3hfa h PRO 151 N 4.68 0.26 0.00 0.39 0.13 -1.93 -3.25 132.00 132.28 3hfa h PRO 151 Ca -0.48 -0.45 -0.01 0.00 -0.87 0.00 0.00 66.00 64.20 3hfa h PRO 151 Cb 1.16 0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.46 3hfa h PRO 151 CO 0.51 1.16 -1.02 0.72 -0.23 0.00 0.00 178.00 179.13 3hfa n HIS 152 N -3.48 0.00 -3.69 1.56 8.25 -1.26 -4.84 115.22 111.75 3hfa n HIS 152 Ca -0.13 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.23 3hfa n HIS 152 Cb 1.04 -0.02 -0.04 0.00 1.12 0.00 0.00 29.99 32.09 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 -2.01 -0.13 -0.02 4.41 -0.12 -1.26 -0.81 117.98 118.04 3hfa s PHE 153 Ca -0.01 -0.20 0.02 0.00 -0.05 0.00 0.00 56.93 56.69 3hfa s PHE 153 Cb 0.00 0.28 0.00 0.00 -0.63 0.00 0.00 43.02 42.68 3hfa s PHE 153 CO 0.01 -0.78 -0.07 0.08 -0.05 0.00 0.00 175.22 174.41 3hfa s VAL 154 N -3.84 0.61 -0.07 -2.49 1.01 0.06 -4.88 120.40 110.80 3hfa s VAL 154 Ca 0.06 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.82 3hfa s VAL 154 Cb 0.01 -0.56 -0.00 0.00 0.00 0.00 0.00 36.38 35.83 3hfa s VAL 154 CO -0.08 0.20 -0.20 -0.69 0.00 0.00 0.00 175.10 174.33 3hfa s VAL 155 N 0.23 1.74 0.02 2.92 1.01 -1.26 -0.99 120.40 124.06 3hfa s VAL 155 Ca -0.03 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.09 3hfa s VAL 155 Cb -0.08 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 3hfa s VAL 155 CO 0.00 0.49 -0.03 -0.04 0.00 0.00 0.00 175.10 175.52 3hfa s MET 156 N 0.22 0.27 0.00 2.72 -1.94 0.06 -5.00 119.30 115.63 3hfa s MET 156 Ca -0.11 -0.45 0.00 0.00 -1.71 0.00 0.00 55.69 53.41 3hfa s MET 156 Cb -0.15 -0.01 0.00 0.00 2.01 0.00 0.00 34.83 36.68 3hfa s MET 156 CO 0.05 -0.01 0.00 0.41 -0.01 0.00 0.00 175.02 175.46 3hfa n GLY 157 N 2.03 -1.65 7.00 -0.03 0.00 -1.26 -0.64 105.19 110.63 3hfa n GLY 157 Ca -0.20 -1.42 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 -0.75 0.99 3.48 -0.02 0.00 -0.29 -4.21 105.19 104.39 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 -0.17 2.61 -4.23 -1.26 -4.53 115.64 112.46 3hfa s THR 159 Ca 0.00 -0.09 0.17 0.00 -1.18 0.00 0.00 61.69 60.58 3hfa s THR 159 Cb 0.00 -4.59 0.01 0.00 1.34 0.00 0.00 72.50 69.25 3hfa s THR 159 CO 0.00 -1.26 1.22 0.71 -0.54 0.00 0.00 174.62 174.75 3hfa h THR 160 N 5.98 0.63 0.07 3.99 1.35 -1.95 -3.39 112.91 119.59 3hfa h THR 160 Ca -0.28 -1.99 0.03 0.00 -0.55 0.00 0.00 66.41 63.62 3hfa h THR 160 Cb 1.07 2.20 -0.05 0.00 -1.73 0.00 0.00 68.15 69.65 3hfa h THR 160 CO 1.13 0.36 -0.36 -0.08 -0.25 0.00 0.00 175.52 176.32 3hfa h GLU 161 N 0.00 -0.54 -1.00 4.72 4.57 -1.95 0.21 114.58 120.58 3hfa h GLU 161 Ca -0.06 0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3hfa h GLU 161 Cb 1.40 0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 30.06 3hfa h GLU 161 CO 0.05 -0.36 0.66 -1.35 -1.18 0.00 0.00 179.01 176.83 3hfa h PRO 162 N -0.56 1.32 -0.15 0.92 0.11 -1.83 -0.32 132.00 131.49 3hfa h PRO 162 Ca 0.04 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 3hfa h PRO 162 Cb 0.61 -0.30 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 3hfa h PRO 162 CO -0.24 0.88 0.02 0.82 -0.21 0.00 0.00 178.00 179.26 3hfa h ILE 163 N 1.36 1.23 -0.80 4.15 2.04 -1.55 -0.38 117.51 123.56 3hfa h ILE 163 Ca 0.37 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 3hfa h ILE 163 Cb -0.16 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 3hfa h ILE 163 CO -0.08 0.22 0.40 0.00 0.00 0.00 0.00 178.15 178.69 3hfa h ALA 164 N 0.80 1.03 -0.09 1.87 0.00 -0.34 -1.09 119.26 121.44 3hfa h ALA 164 Ca 0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hfa h ALA 164 Cb 0.32 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hfa h ALA 164 CO 0.00 0.57 0.04 -0.91 0.00 0.00 0.00 179.25 178.96 3hfa h ASN 165 N 1.12 0.11 -0.69 0.00 2.35 -0.95 0.18 115.58 117.71 3hfa h ASN 165 Ca 0.28 -0.12 0.11 0.00 -0.55 0.00 0.00 56.30 56.01 3hfa h ASN 165 Cb 0.09 -0.03 -0.08 0.00 0.05 0.00 0.00 38.32 38.35 3hfa h ASN 165 CO -0.04 0.21 0.30 0.00 -1.65 0.00 0.00 177.43 176.25 3hfa h ALA 166 N 0.91 0.94 -0.04 -0.83 0.00 -0.79 -0.74 119.26 118.71 3hfa h ALA 166 Ca 0.03 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hfa h ALA 166 Cb 0.12 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3hfa h ALA 166 CO -0.00 -0.14 0.01 -0.07 0.00 0.00 0.00 179.25 179.05 3hfa h LEU 167 N 0.50 0.06 -2.04 0.00 -0.00 -0.98 -0.74 115.31 112.11 3hfa h LEU 167 Ca 0.35 -0.23 0.08 0.00 -0.00 0.00 0.00 57.88 58.08 3hfa h LEU 167 Cb 0.44 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.08 3hfa h LEU 167 CO -0.32 0.27 0.37 0.50 -0.00 0.00 0.00 178.44 179.26 3hfa h LYS 168 N -0.16 0.00 0.00 1.13 3.64 0.13 0.49 116.57 121.80 3hfa h LYS 168 Ca 0.01 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.20 3hfa h LYS 168 Cb 0.23 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 3hfa h LYS 168 CO 0.00 0.00 -1.08 1.49 -2.27 0.00 0.00 179.45 177.59 3hfa h GLU 169 N 0.00 0.00 -0.00 1.90 4.57 -0.80 -3.41 114.58 116.84 3hfa h GLU 169 Ca 0.12 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 3hfa h GLU 169 Cb 0.86 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 3hfa h GLU 169 CO -0.00 0.94 -0.79 -1.13 -1.18 0.00 0.00 179.01 176.85 3hfa n SER 170 N -4.46 1.13 -4.69 1.04 3.41 -0.32 -4.95 113.62 104.79 3hfa n SER 170 Ca -0.28 -0.99 -0.42 0.00 -0.26 0.00 0.00 58.87 56.92 3hfa n SER 170 Cb 0.63 0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 65.31 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 -2.87 2.62 -0.07 7.33 5.04 0.16 -5.00 117.35 124.56 3hfa s TYR 171 Ca 0.11 0.57 0.04 0.00 -2.44 0.00 0.00 57.07 55.35 3hfa s TYR 171 Cb 0.17 -3.81 -0.02 0.00 0.35 0.00 0.00 41.96 38.65 3hfa s TYR 171 CO 0.77 -3.14 -0.20 0.00 -1.34 0.00 0.00 175.55 171.64 3hfa s ALA 172 N 2.59 2.39 0.20 3.97 0.00 -1.26 -5.00 121.76 124.65 3hfa s ALA 172 Ca 0.69 -1.00 -0.30 0.00 0.00 0.00 0.00 51.96 51.35 3hfa s ALA 172 Cb -0.35 -0.86 -0.09 0.00 0.00 0.00 0.00 23.12 21.82 3hfa s ALA 172 CO 0.29 0.42 1.29 -2.00 0.00 0.00 0.00 175.76 175.76 3hfa s GLU 173 N -0.21 4.41 -0.93 0.00 2.12 -1.26 -3.29 118.70 119.54 3hfa s GLU 173 Ca -0.01 2.02 0.00 0.00 0.36 0.00 0.00 54.97 57.34 3hfa s GLU 173 Cb -0.13 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.06 3hfa s GLU 173 CO 0.03 -0.22 0.00 0.09 -0.54 0.00 0.00 175.26 174.63 3hfa n ASN 174 N 2.54 -3.56 -4.73 -1.70 3.02 -1.26 -4.97 115.26 104.60 3hfa n ASN 174 Ca 0.06 -0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.29 3hfa n ASN 174 Cb 0.43 -2.78 0.11 0.00 -0.61 0.00 0.00 39.78 36.94 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 -2.53 1.98 0.86 5.41 0.00 -1.21 -4.15 121.76 122.13 3hfa s ALA 175 Ca 0.00 0.51 -0.12 0.00 0.00 0.00 0.00 51.96 52.36 3hfa s ALA 175 Cb 0.00 -3.37 0.11 0.00 0.00 0.00 0.00 23.12 19.86 3hfa s ALA 175 CO 0.00 -2.08 1.10 -1.54 0.00 0.00 0.00 175.76 173.23 3hfa s SER 176 N -2.83 3.82 0.15 0.00 1.04 -1.26 -0.86 113.70 113.76 3hfa s SER 176 Ca 0.66 1.37 -0.17 0.00 0.48 0.00 0.00 55.95 58.29 3hfa s SER 176 Cb -0.21 -2.07 0.06 0.00 0.10 0.00 0.00 66.02 63.90 3hfa s SER 176 CO 0.53 -2.40 1.73 0.25 0.98 0.00 0.00 173.24 174.33 3hfa h LEU 177 N -1.39 -0.01 -0.24 2.42 5.85 -1.99 0.12 115.31 120.06 3hfa h LEU 177 Ca -0.49 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 3hfa h LEU 177 Cb 1.28 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 3hfa h LEU 177 CO 0.57 0.03 0.13 0.74 -0.34 0.00 0.00 178.44 179.57 3hfa h THR 178 N 0.17 1.12 -0.46 1.05 2.02 -1.92 0.55 112.91 115.44 3hfa h THR 178 Ca 0.16 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 3hfa h THR 178 Cb 0.19 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3hfa h THR 178 CO -0.22 0.11 0.22 0.44 0.37 0.00 0.00 175.52 176.44 3hfa h ASP 179 N 0.28 0.59 -0.39 4.18 3.32 -1.85 -1.64 116.42 120.92 3hfa h ASP 179 Ca 0.09 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.03 3hfa h ASP 179 Cb 0.06 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 3hfa h ASP 179 CO -0.01 0.55 0.22 0.00 -1.72 0.00 0.00 179.24 178.28 3hfa h ALA 180 N 1.07 0.48 -0.33 3.45 0.00 -0.52 -1.71 119.26 121.70 3hfa h ALA 180 Ca 0.16 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3hfa h ALA 180 Cb 0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3hfa h ALA 180 CO -0.02 -0.12 0.17 1.25 0.00 0.00 0.00 179.25 180.53 3hfa h LEU 181 N 0.45 0.26 -0.66 0.00 5.85 -0.70 -1.17 115.31 119.34 3hfa h LEU 181 Ca 0.15 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3hfa h LEU 181 Cb 0.01 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3hfa h LEU 181 CO -0.08 0.19 0.35 -0.09 -0.34 0.00 0.00 178.44 178.48 3hfa h ARG 182 N 0.35 0.92 -0.50 1.25 2.43 -1.03 -1.66 114.38 116.14 3hfa h ARG 182 Ca 0.14 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 3hfa h ARG 182 Cb 0.04 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 3hfa h ARG 182 CO -0.09 0.70 0.18 0.82 -1.51 0.00 0.00 179.97 180.07 3hfa h ILE 183 N 0.90 1.22 -0.45 1.20 2.04 -1.01 -0.84 117.51 120.58 3hfa h ILE 183 Ca 0.23 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 3hfa h ILE 183 Cb 0.05 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 3hfa h ILE 183 CO -0.04 0.27 0.18 0.00 0.00 0.00 0.00 178.15 178.57 3hfa h ALA 184 N 1.03 0.58 -0.81 1.87 0.00 -0.98 -0.39 119.26 120.56 3hfa h ALA 184 Ca 0.16 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3hfa h ALA 184 Cb 0.24 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3hfa h ALA 184 CO -0.01 0.18 0.33 0.28 0.00 0.00 0.00 179.25 180.03 3hfa h VAL 185 N 0.58 1.26 -0.61 0.00 2.07 -1.18 -0.32 116.25 118.05 3hfa h VAL 185 Ca 0.15 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 3hfa h VAL 185 Cb 0.18 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 3hfa h VAL 185 CO -0.01 0.34 0.25 0.00 0.02 0.00 0.00 177.57 178.17 3hfa h ALA 186 N 1.18 0.79 -0.65 1.67 0.00 -0.71 -0.64 119.26 120.90 3hfa h ALA 186 Ca 0.27 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3hfa h ALA 186 Cb 0.21 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3hfa h ALA 186 CO -0.02 0.40 0.18 0.00 0.00 0.00 0.00 179.25 179.80 3hfa h ALA 187 N 1.10 1.10 -0.67 0.00 0.00 -0.66 -2.49 119.26 117.63 3hfa h ALA 187 Ca 0.20 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3hfa h ALA 187 Cb 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3hfa h ALA 187 CO -0.02 0.61 0.25 1.25 0.00 0.00 0.00 179.25 181.34 3hfa h LEU 188 N 0.96 0.92 -0.60 0.00 5.85 -0.55 -2.95 115.31 118.94 3hfa h LEU 188 Ca 0.21 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3hfa h LEU 188 Cb 0.31 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3hfa h LEU 188 CO -0.00 0.84 0.38 0.03 -0.34 0.00 0.00 178.44 179.34 3hfa h ARG 189 N 0.98 0.81 0.00 1.25 3.08 -0.66 -3.49 114.38 116.35 3hfa h ARG 189 Ca 0.23 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3hfa h ARG 189 Cb 0.22 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3hfa h ARG 189 CO -0.02 0.56 0.00 0.00 -1.07 0.00 0.00 179.97 179.45 3hfa n ALA 190 N -2.28 0.41 0.00 0.04 0.00 -1.11 -5.09 120.51 112.48 3hfa n ALA 190 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3hfa n ALA 190 Cb 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 0.10 0.00 -4.89 0.00 4.32 -1.26 -4.15 117.00 111.13 3hfa n LEU 203 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 55.70 3hfa n LEU 203 Cb 0.00 0.00 0.08 0.00 -1.62 0.00 0.00 43.42 41.88 3hfa n LEU 203 CO 0.00 0.00 0.77 -0.83 -1.22 0.00 0.00 177.39 176.11 3hfa s GLY 204 N 0.00 1.60 0.61 -0.72 0.00 -1.26 -4.89 107.32 102.66 3hfa s GLY 204 Ca 0.00 -0.56 0.32 0.00 0.00 0.00 0.00 44.72 44.48 3hfa s GLY 204 CO 0.00 -0.09 2.18 -2.08 0.00 0.00 0.00 173.10 173.11 3hfa h VAL 205 N -1.01 0.35 0.00 1.40 2.07 -1.94 0.12 116.25 117.25 3hfa h VAL 205 Ca -0.46 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 3hfa h VAL 205 Cb 1.31 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 3hfa h VAL 205 CO 0.65 0.00 -0.05 0.00 0.02 0.00 0.00 177.57 178.19 3hfa h ALA 206 N 1.84 1.08 0.00 1.67 0.00 -1.93 -3.06 119.26 118.85 3hfa h ALA 206 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hfa h ALA 206 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3hfa h ALA 206 CO -0.00 0.06 -0.00 -1.13 0.00 0.00 0.00 179.25 178.18 3hfa n SER 207 N -3.26 1.99 -4.28 0.00 3.41 0.41 -4.51 113.62 107.39 3hfa n SER 207 Ca -0.01 -2.06 -0.29 0.00 -0.26 0.00 0.00 58.87 56.25 3hfa n SER 207 Cb 0.23 -0.03 -0.15 0.00 -0.26 0.00 0.00 64.21 63.99 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 -1.12 2.09 -0.20 1.04 1.43 -1.12 -0.78 118.68 120.02 3hfa s LEU 208 Ca 0.02 -0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 52.62 3hfa s LEU 208 Cb 0.02 -1.19 -0.01 0.00 0.03 0.00 0.00 46.19 45.04 3hfa s LEU 208 CO 0.00 0.26 -0.05 -0.70 0.23 0.00 0.00 176.35 176.10 3hfa s GLU 209 N -0.77 3.43 -0.02 1.70 2.12 -0.33 -4.79 118.70 120.04 3hfa s GLU 209 Ca 0.09 -0.61 0.04 0.00 0.36 0.00 0.00 54.97 54.85 3hfa s GLU 209 Cb -0.09 -2.97 -0.01 0.00 0.26 0.00 0.00 34.13 31.32 3hfa s GLU 209 CO 0.00 -0.09 -0.13 0.08 -0.54 0.00 0.00 175.26 174.57 3hfa s VAL 210 N 1.21 1.07 0.16 3.70 1.01 -1.26 -1.41 120.40 124.89 3hfa s VAL 210 Ca 0.03 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.28 3hfa s VAL 210 Cb -0.14 -0.90 0.03 0.00 0.00 0.00 0.00 36.38 35.36 3hfa s VAL 210 CO -0.01 0.31 0.47 0.00 0.00 0.00 0.00 175.10 175.87 3hfa s ALA 211 N -0.15 -0.96 0.09 5.51 0.00 -0.94 -1.10 121.76 124.22 3hfa s ALA 211 Ca 0.02 -0.11 0.04 0.00 0.00 0.00 0.00 51.96 51.91 3hfa s ALA 211 Cb -0.07 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 23.81 3hfa s ALA 211 CO 0.00 -0.73 -0.11 0.14 0.00 0.00 0.00 175.76 175.06 3hfa s VAL 212 N -3.84 0.96 -0.54 0.00 -7.23 0.00 -0.64 120.40 109.12 3hfa s VAL 212 Ca 0.06 -1.59 -0.18 0.00 -1.81 0.00 0.00 61.98 58.46 3hfa s VAL 212 Cb 0.00 -1.31 0.08 0.00 0.56 0.00 0.00 36.38 35.71 3hfa s VAL 212 CO -0.07 -0.51 0.62 -0.76 -0.31 0.00 0.00 175.10 174.06 3hfa s LEU 213 N -2.35 5.31 -0.52 1.32 1.43 0.60 -1.25 118.68 123.23 3hfa s LEU 213 Ca 0.04 -1.23 -0.20 0.00 -1.03 0.00 0.00 54.13 51.71 3hfa s LEU 213 Cb -0.04 -2.34 0.05 0.00 0.03 0.00 0.00 46.19 43.90 3hfa s LEU 213 CO 0.00 -0.94 0.71 -0.62 0.23 0.00 0.00 176.35 175.73 3hfa s ASP 214 N 3.11 6.25 0.09 2.29 2.15 0.76 -1.95 116.67 129.37 3hfa s ASP 214 Ca 0.11 -0.78 0.13 0.00 0.43 0.00 0.00 52.55 52.44 3hfa s ASP 214 Cb -0.23 -2.33 0.58 0.00 -0.30 0.00 0.00 42.92 40.65 3hfa s ASP 214 CO 0.08 -0.99 1.40 0.00 -0.17 0.00 0.00 175.17 175.50 3hfa n ALA 215 N 6.52 1.38 0.68 3.66 0.00 -0.28 -1.63 120.51 130.84 3hfa n ALA 215 Ca -0.04 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.55 3hfa n ALA 215 Cb 0.46 -1.21 0.32 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.74 0.65 -4.77 0.00 2.85 -1.26 -4.21 115.26 106.77 3hfa n ASN 216 Ca 0.02 0.31 -0.38 0.00 -0.11 0.00 0.00 54.58 54.41 3hfa n ASN 216 Cb 0.11 -0.28 -0.02 0.00 1.24 0.00 0.00 39.78 40.83 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 -3.11 4.05 0.06 1.20 1.81 -0.64 -4.95 118.95 117.36 3hfa s ARG 217 Ca 0.09 1.77 -0.25 0.00 -1.72 0.00 0.00 55.73 55.63 3hfa s ARG 217 Cb 0.14 -2.63 -0.17 0.00 -0.45 0.00 0.00 34.95 31.84 3hfa s ARG 217 CO 0.65 -0.31 1.59 -1.35 -0.68 0.00 0.00 175.30 175.20 3hfa h PRO 218 N 2.57 -0.12 0.00 3.54 0.11 -1.89 -3.38 132.00 132.82 3hfa h PRO 218 Ca -0.49 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hfa h PRO 218 Cb 1.23 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3hfa h PRO 218 CO 0.62 0.03 0.00 -2.13 -0.21 0.00 0.00 178.00 176.31 3hfa n ARG 219 N -5.09 0.00 -2.81 1.05 0.63 -1.26 -4.39 116.66 104.80 3hfa n ARG 219 Ca -0.08 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.42 3hfa n ARG 219 Cb 0.13 -0.18 -0.04 0.00 0.45 0.00 0.00 32.46 32.82 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 -1.47 3.33 0.37 -0.14 0.52 -1.26 -4.39 118.95 115.91 3hfa s ARG 220 Ca 0.00 -0.26 0.20 0.00 -0.52 0.00 0.00 55.73 55.15 3hfa s ARG 220 Cb 0.00 -4.07 0.34 0.00 0.52 0.00 0.00 34.95 31.74 3hfa s ARG 220 CO 0.00 -1.55 1.58 0.00 0.02 0.00 0.00 175.30 175.36 3hfa h ALA 221 N 9.37 0.85 -2.41 2.13 0.00 -1.21 -3.45 119.26 124.54 3hfa h ALA 221 Ca -0.26 -0.24 -0.54 0.00 0.00 0.00 0.00 54.91 53.87 3hfa h ALA 221 Cb 1.07 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3hfa h ALA 221 CO 1.11 0.33 0.69 0.12 0.00 0.00 0.00 179.25 181.50 3hfa s PHE 222 N -3.18 3.19 -0.12 0.00 5.36 -1.26 -0.17 117.98 121.81 3hfa s PHE 222 Ca 0.04 1.12 -0.08 0.00 -0.96 0.00 0.00 56.93 57.06 3hfa s PHE 222 Cb 0.07 -3.50 0.04 0.00 -0.34 0.00 0.00 43.02 39.29 3hfa s PHE 222 CO 0.69 -1.67 0.30 -0.98 -1.46 0.00 0.00 175.22 172.10 3hfa s ARG 223 N 1.77 0.30 0.40 10.12 1.70 -0.38 -4.96 118.95 127.90 3hfa s ARG 223 Ca 0.60 0.52 -0.20 0.00 -0.47 0.00 0.00 55.73 56.17 3hfa s ARG 223 Cb -0.29 0.02 -0.11 0.00 -0.57 0.00 0.00 34.95 34.01 3hfa s ARG 223 CO 0.26 -0.11 0.91 1.03 -1.08 0.00 0.00 175.30 176.31 3hfa s ARG 224 N 0.80 4.22 -0.27 3.89 0.52 -1.26 -0.82 118.95 126.03 3hfa s ARG 224 Ca -0.05 1.06 0.02 0.00 -0.52 0.00 0.00 55.73 56.23 3hfa s ARG 224 Cb -0.06 -2.28 0.06 0.00 0.52 0.00 0.00 34.95 33.18 3hfa s ARG 224 CO -0.05 0.03 -0.08 0.42 0.02 0.00 0.00 175.30 175.64 3hfa s ILE 225 N -2.09 2.39 0.22 1.52 1.01 -0.26 -4.92 121.20 119.08 3hfa s ILE 225 Ca 0.59 -1.58 0.03 0.00 0.00 0.00 0.00 60.65 59.69 3hfa s ILE 225 Cb -0.10 -2.40 -0.05 0.00 0.01 0.00 0.00 42.46 39.91 3hfa s ILE 225 CO 0.15 -0.06 0.02 0.42 0.00 0.00 0.00 174.94 175.47 3hfa s THR 226 N 1.14 0.84 0.00 2.92 -4.23 -1.26 -4.26 115.64 110.78 3hfa s THR 226 Ca -0.08 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 3hfa s THR 226 Cb -0.20 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.29 3hfa s THR 226 CO -0.04 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.35 3hfa n GLY 227 N -0.38 2.88 0.39 3.99 0.00 -1.26 -2.51 105.19 108.31 3hfa n GLY 227 Ca -0.04 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 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 2.82 -1.07 -0.89 1.61 4.64 -1.98 -1.16 113.55 117.52 3hfa h SER 228 Ca 0.00 0.10 0.12 0.00 -0.47 0.00 0.00 61.79 61.54 3hfa h SER 228 Cb 0.00 0.38 -0.13 0.00 -0.31 0.00 0.00 62.40 62.34 3hfa h SER 228 CO 0.00 -0.50 -0.41 0.00 -0.87 0.00 0.00 176.83 175.06 3hfa n ALA 229 N -2.73 -0.26 0.14 5.18 0.00 -1.14 -0.14 120.51 121.56 3hfa n ALA 229 Ca -0.09 0.85 -0.13 0.00 0.00 0.00 0.00 53.44 54.07 3hfa n ALA 229 Cb 0.37 -0.31 -0.06 0.00 0.00 0.00 0.00 19.45 19.45 3hfa n ALA 229 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3hfa h LEU 230 N 0.00 -0.73 -0.95 0.00 5.85 -1.11 -2.52 115.31 115.85 3hfa h LEU 230 Ca 0.26 0.08 0.23 0.00 0.84 0.00 0.00 57.88 59.28 3hfa h LEU 230 Cb 0.48 0.27 -0.12 0.00 0.37 0.00 0.00 40.66 41.65 3hfa h LEU 230 CO -0.87 -0.36 0.51 -0.61 -0.34 0.00 0.00 178.44 176.76 3hfa h GLN 231 N -0.51 0.50 0.00 1.25 5.75 0.69 0.37 115.11 123.17 3hfa h GLN 231 Ca 0.01 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 3hfa h GLN 231 Cb 0.50 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 28.94 3hfa h GLN 231 CO -0.11 0.33 -0.04 0.00 -2.65 0.00 0.00 178.83 176.36 3hfa h ALA 232 N 1.71 1.24 0.00 3.38 0.00 -0.37 -2.25 119.26 122.97 3hfa h ALA 232 Ca 0.60 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.47 3hfa h ALA 232 Cb 1.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3hfa h ALA 232 CO -0.49 0.06 -1.15 1.28 0.00 0.00 0.00 179.25 178.95 3hfa n LEU 233 N -3.48 0.73 -0.49 0.00 4.77 0.12 -5.11 117.00 113.54 3hfa n LEU 233 Ca -0.02 0.28 0.14 0.00 -0.03 0.00 0.00 56.01 56.38 3hfa n LEU 233 Cb 0.16 -0.05 0.52 0.00 -2.33 0.00 0.00 43.42 41.72 3hfa n LEU 233 CO 0.26 -0.16 0.87 0.18 -1.33 0.00 0.00 177.39 177.21