#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 1.09 -0.60 2.12 4.57 -2.05 -2.16 114.58 117.56 3hfa h GLU 10 Ca 0.00 -0.17 -0.06 0.00 -1.18 0.00 0.00 59.36 57.95 3hfa h GLU 10 Cb 0.00 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.38 3hfa h GLU 10 CO 0.00 0.87 0.14 0.37 -1.18 0.00 0.00 179.01 179.21 3hfa h GLN 11 N 1.06 0.97 -0.41 1.92 4.15 -2.05 -2.23 115.11 118.50 3hfa h GLN 11 Ca 0.25 -0.24 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 3hfa h GLN 11 Cb 0.15 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 3hfa h GLN 11 CO -0.03 0.89 0.17 0.00 -1.93 0.00 0.00 178.83 177.93 3hfa h ALA 12 N 1.03 0.54 -0.58 3.38 0.00 -1.90 -0.42 119.26 121.31 3hfa h ALA 12 Ca 0.19 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3hfa h ALA 12 Cb 0.36 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3hfa h ALA 12 CO 0.00 0.14 0.08 0.52 0.00 0.00 0.00 179.25 179.98 3hfa h MET 13 N 0.52 0.95 -0.62 0.00 2.86 -1.42 -2.44 114.93 114.79 3hfa h MET 13 Ca 0.14 -0.24 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 3hfa h MET 13 Cb 0.18 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 3hfa h MET 13 CO -0.01 0.89 0.27 -0.09 1.06 0.00 0.00 176.91 179.03 3hfa h ARG 14 N 0.89 0.91 -0.16 1.72 2.43 -0.96 -0.72 114.38 118.48 3hfa h ARG 14 Ca 0.18 -0.15 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 3hfa h ARG 14 Cb 0.42 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3hfa h ARG 14 CO 0.01 0.75 -0.32 0.93 -1.51 0.00 0.00 179.97 179.83 3hfa h GLU 15 N 0.85 0.31 -0.24 0.20 5.08 -0.89 -0.88 114.58 119.02 3hfa h GLU 15 Ca 0.21 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 3hfa h GLU 15 Cb 0.16 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3hfa h GLU 15 CO -0.02 0.61 -0.20 0.00 -1.00 0.00 0.00 179.01 178.40 3hfa h ARG 16 N 0.27 0.55 -0.98 2.33 3.08 -1.13 -1.20 114.38 117.30 3hfa h ARG 16 Ca 0.04 -0.28 0.01 0.00 0.07 0.00 0.00 59.98 59.82 3hfa h ARG 16 Cb 0.71 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.71 3hfa h ARG 16 CO 0.05 0.86 0.64 1.03 -1.07 0.00 0.00 179.97 181.48 3hfa h SER 17 N 0.26 1.13 -0.20 7.04 0.87 -0.91 -2.01 113.55 119.72 3hfa h SER 17 Ca 0.04 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.54 3hfa h SER 17 Cb 0.74 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 3hfa h SER 17 CO 0.05 0.82 -0.01 -0.08 -0.53 0.00 0.00 176.83 177.08 3hfa h GLU 18 N 1.33 0.35 -0.46 2.24 4.57 -1.04 -0.87 114.58 120.70 3hfa h GLU 18 Ca 0.36 -0.12 0.04 0.00 -1.18 0.00 0.00 59.36 58.46 3hfa h GLU 18 Cb -0.15 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.37 3hfa h GLU 18 CO -0.08 0.57 0.21 1.25 -1.18 0.00 0.00 179.01 179.79 3hfa h LEU 19 N 0.10 0.29 -0.12 1.64 6.46 -1.00 -0.54 115.31 122.15 3hfa h LEU 19 Ca 0.05 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.82 3hfa h LEU 19 Cb 0.42 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.33 3hfa h LEU 19 CO 0.01 0.21 -0.02 0.00 -0.62 0.00 0.00 178.44 178.02 3hfa h ALA 20 N 1.26 0.17 -0.67 1.25 0.00 -1.29 -1.91 119.26 118.08 3hfa h ALA 20 Ca 0.20 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.98 3hfa h ALA 20 Cb 0.14 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 3hfa h ALA 20 CO -0.16 -0.11 0.33 -0.09 0.00 0.00 0.00 179.25 179.22 3hfa h ARG 21 N -0.07 0.56 -0.34 0.00 2.43 -0.95 -1.18 114.38 114.85 3hfa h ARG 21 Ca 0.03 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3hfa h ARG 21 Cb 0.42 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3hfa h ARG 21 CO 0.01 0.37 0.06 0.87 -1.51 0.00 0.00 179.97 179.77 3hfa h LYS 22 N 0.58 0.56 -0.48 0.20 1.57 -0.99 -0.61 116.57 117.41 3hfa h LYS 22 Ca 0.32 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.98 3hfa h LYS 22 Cb 0.31 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 3hfa h LYS 22 CO -0.24 0.64 0.28 0.78 -0.57 0.00 0.00 179.45 180.33 3hfa h GLY 23 N 0.39 0.68 0.94 3.86 0.00 -0.87 -1.57 103.07 106.51 3hfa h GLY 23 Ca 0.10 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 3hfa h GLY 23 CO 0.01 0.17 0.01 -2.22 0.00 0.00 0.00 176.54 174.50 3hfa h ILE 24 N 0.56 1.26 0.00 2.60 2.04 -1.09 -2.45 117.51 120.42 3hfa h ILE 24 Ca 0.20 -0.99 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 3hfa h ILE 24 Cb 0.04 1.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3hfa h ILE 24 CO -0.10 0.33 -0.02 0.00 0.00 0.00 0.00 178.15 178.36 3hfa h ALA 25 N 0.88 1.17 -0.00 1.87 0.00 -0.82 -0.21 119.26 122.15 3hfa h ALA 25 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hfa h ALA 25 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3hfa h ALA 25 CO 0.02 0.03 -0.37 -2.13 0.00 0.00 0.00 179.25 176.79 3hfa n ARG 26 N -3.35 0.24 -2.65 0.00 0.63 -0.62 -3.77 116.66 107.15 3hfa n ARG 26 Ca -0.02 -0.13 -0.22 0.00 -0.92 0.00 0.00 57.85 56.55 3hfa n ARG 26 Cb 0.13 -1.50 0.03 0.00 0.45 0.00 0.00 32.46 31.58 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 -2.85 3.74 0.63 5.13 0.00 -0.35 -4.89 121.76 123.17 3hfa s ALA 27 Ca 0.16 -1.18 -0.14 0.00 0.00 0.00 0.00 51.96 50.79 3hfa s ALA 27 Cb 0.18 -2.18 -0.02 0.00 0.00 0.00 0.00 23.12 21.10 3hfa s ALA 27 CO 0.63 -0.74 1.05 0.15 0.00 0.00 0.00 175.76 176.85 3hfa s LYS 28 N -4.79 3.25 0.29 0.00 1.02 -1.26 -1.67 119.74 116.58 3hfa s LYS 28 Ca 0.56 1.07 -0.02 0.00 0.02 0.00 0.00 55.97 57.59 3hfa s LYS 28 Cb -0.10 -2.03 -0.04 0.00 -0.52 0.00 0.00 37.83 35.14 3hfa s LYS 28 CO 0.39 -0.86 0.52 -1.12 -0.92 0.00 0.00 175.35 173.36 3hfa s SER 29 N -3.25 6.37 -0.03 2.83 0.01 -1.26 -4.31 113.70 114.07 3hfa s SER 29 Ca 0.61 0.55 -0.03 0.00 1.31 0.00 0.00 55.95 58.38 3hfa s SER 29 Cb -0.14 -2.07 0.01 0.00 0.21 0.00 0.00 66.02 64.02 3hfa s SER 29 CO 0.44 -0.21 0.08 -0.69 0.41 0.00 0.00 173.24 173.28 3hfa s VAL 30 N -2.13 0.02 0.07 3.43 1.01 0.57 -1.64 120.40 121.72 3hfa s VAL 30 Ca 0.41 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.33 3hfa s VAL 30 Cb -0.10 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 3hfa s VAL 30 CO 0.32 -0.07 -0.16 0.68 0.00 0.00 0.00 175.10 175.87 3hfa s VAL 31 N -0.18 1.32 -0.07 2.92 -7.23 -0.15 -0.61 120.40 116.39 3hfa s VAL 31 Ca -0.02 -1.30 0.03 0.00 -1.81 0.00 0.00 61.98 58.87 3hfa s VAL 31 Cb -0.02 -1.22 0.01 0.00 0.56 0.00 0.00 36.38 35.71 3hfa s VAL 31 CO 0.00 -0.10 -0.14 0.00 -0.31 0.00 0.00 175.10 174.55 3hfa s ALA 32 N -1.12 1.38 -0.05 1.32 0.00 -0.15 -1.43 121.76 121.69 3hfa s ALA 32 Ca 0.02 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 51.52 3hfa s ALA 32 Cb -0.09 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.44 3hfa s ALA 32 CO 0.03 0.15 -0.14 -0.51 0.00 0.00 0.00 175.76 175.28 3hfa s LEU 33 N 0.59 1.80 0.16 0.00 1.02 -0.21 -0.89 118.68 121.15 3hfa s LEU 33 Ca -0.14 -0.32 -0.30 0.00 0.02 0.00 0.00 54.13 53.38 3hfa s LEU 33 Cb -0.16 -0.88 -0.08 0.00 0.02 0.00 0.00 46.19 45.10 3hfa s LEU 33 CO 0.04 0.09 1.18 0.00 0.02 0.00 0.00 176.35 177.69 3hfa s ALA 34 N 0.33 3.42 0.26 4.21 0.00 -0.27 -0.82 121.76 128.89 3hfa s ALA 34 Ca -0.09 0.91 0.02 0.00 0.00 0.00 0.00 51.96 52.80 3hfa s ALA 34 Cb -0.13 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 3hfa s ALA 34 CO 0.03 -0.36 0.15 1.52 0.00 0.00 0.00 175.76 177.10 3hfa s TYR 35 N 0.12 1.43 0.30 0.00 -0.85 0.16 -4.55 117.35 113.96 3hfa s TYR 35 Ca 0.53 -1.38 0.00 0.00 -0.52 0.00 0.00 57.07 55.70 3hfa s TYR 35 Cb -0.32 -0.72 0.51 0.00 0.38 0.00 0.00 41.96 41.81 3hfa s TYR 35 CO 0.35 -0.59 1.93 0.00 -1.52 0.00 0.00 175.55 175.73 3hfa h ALA 36 N 2.40 1.49 -0.01 9.51 0.00 -1.50 -2.23 119.26 128.92 3hfa h ALA 36 Ca -0.34 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3hfa h ALA 36 Cb 1.25 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3hfa h ALA 36 CO 0.52 0.41 -0.02 0.41 0.00 0.00 0.00 179.25 180.56 3hfa n GLY 37 N -1.40 -0.08 0.00 0.00 0.00 -1.26 -5.01 105.19 97.43 3hfa n GLY 37 Ca 0.12 -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 1.19 0.25 3.39 -0.02 0.00 -0.84 -1.30 105.19 107.87 3hfa n GLY 38 Ca 0.19 -1.15 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 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 2.82 -0.15 1.61 1.01 -0.72 0.38 120.40 121.35 3hfa s VAL 39 Ca 0.00 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 3hfa s VAL 39 Cb 0.00 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 3hfa s VAL 39 CO 0.00 0.56 -0.02 -0.22 0.00 0.00 0.00 175.10 175.42 3hfa s LEU 40 N -0.25 3.33 -0.17 3.92 2.96 0.00 -0.52 118.68 127.96 3hfa s LEU 40 Ca 0.01 -0.08 -0.04 0.00 -0.22 0.00 0.00 54.13 53.80 3hfa s LEU 40 Cb -0.13 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 3hfa s LEU 40 CO 0.03 0.19 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.85 3hfa s PHE 41 N 0.25 3.00 -0.06 5.38 0.08 0.38 -1.04 117.98 125.95 3hfa s PHE 41 Ca -0.02 -0.42 -0.01 0.00 0.12 0.00 0.00 56.93 56.61 3hfa s PHE 41 Cb -0.14 -1.98 0.03 0.00 -0.57 0.00 0.00 43.02 40.36 3hfa s PHE 41 CO 0.03 -0.14 -0.02 0.08 -0.10 0.00 0.00 175.22 175.07 3hfa s VAL 42 N 0.58 0.46 0.00 -0.44 1.01 -0.52 -2.22 120.40 119.27 3hfa s VAL 42 Ca -0.03 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.02 3hfa s VAL 42 Cb -0.14 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 3hfa s VAL 42 CO 0.03 0.25 -0.15 0.00 0.00 0.00 0.00 175.10 175.23 3hfa s ALA 43 N 1.60 1.23 -0.22 5.51 0.00 -0.52 -0.98 121.76 128.39 3hfa s ALA 43 Ca -0.00 -0.69 -0.29 0.00 0.00 0.00 0.00 51.96 50.98 3hfa s ALA 43 Cb -0.13 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 3hfa s ALA 43 CO -0.04 0.29 1.92 -1.21 0.00 0.00 0.00 175.76 176.72 3hfa s GLU 44 N -0.54 3.48 -0.26 0.00 2.02 -0.65 -1.18 118.70 121.56 3hfa s GLU 44 Ca 0.05 1.83 -0.01 0.00 0.02 0.00 0.00 54.97 56.86 3hfa s GLU 44 Cb -0.06 -4.21 0.15 0.00 0.10 0.00 0.00 34.13 30.10 3hfa s GLU 44 CO -0.00 -1.69 0.42 1.21 0.02 0.00 0.00 175.26 175.21 3hfa s ASN 45 N 6.18 0.04 0.17 -0.19 3.84 0.28 -4.66 114.94 120.59 3hfa s ASN 45 Ca 0.86 0.16 -0.03 0.00 0.21 0.00 0.00 52.86 54.07 3hfa s ASN 45 Cb -0.29 1.26 0.05 0.00 -0.55 0.00 0.00 41.25 41.72 3hfa s ASN 45 CO 0.34 -0.31 1.43 -0.65 -2.79 0.00 0.00 177.10 175.13 3hfa h PRO 46 N 8.15 0.46 -6.85 0.43 0.11 -1.79 -3.21 132.00 129.30 3hfa h PRO 46 Ca -0.17 -0.36 -0.56 0.00 0.11 0.00 0.00 66.00 65.01 3hfa h PRO 46 Cb 1.15 0.07 0.14 0.00 0.11 0.00 0.00 31.00 32.46 3hfa h PRO 46 CO 0.27 0.99 0.40 0.45 -0.21 0.00 0.00 178.00 179.90 3hfa n SER 47 N -3.87 2.08 0.06 -2.05 2.88 -1.26 -4.77 113.62 106.69 3hfa n SER 47 Ca -0.04 1.02 -0.12 0.00 -1.33 0.00 0.00 58.87 58.39 3hfa n SER 47 Cb 0.69 -1.48 -0.13 0.00 -0.75 0.00 0.00 64.21 62.55 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 1.59 0.13 0.00 -1.46 0.11 -1.93 -3.42 114.38 109.40 3hfa h ARG 48 Ca -0.48 -0.22 0.00 0.00 0.10 0.00 0.00 59.98 59.38 3hfa h ARG 48 Cb 1.31 0.08 0.00 0.00 1.11 0.00 0.00 29.97 32.48 3hfa h ARG 48 CO 0.57 1.02 -0.46 -1.13 0.10 0.00 0.00 179.97 180.07 3hfa n SER 49 N -3.38 2.28 -4.62 0.08 3.41 -1.26 -5.00 113.62 105.13 3hfa n SER 49 Ca -0.08 -0.13 -0.40 0.00 -0.26 0.00 0.00 58.87 58.00 3hfa n SER 49 Cb 1.00 0.71 -0.08 0.00 -0.26 0.00 0.00 64.21 65.59 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 -1.88 4.06 -0.05 1.04 1.43 -1.26 -5.06 118.68 116.97 3hfa s LEU 50 Ca 0.00 0.52 0.02 0.00 -1.03 0.00 0.00 54.13 53.64 3hfa s LEU 50 Cb 0.00 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 3hfa s LEU 50 CO 0.00 -0.26 -0.08 -1.10 0.23 0.00 0.00 176.35 175.14 3hfa s GLN 51 N 2.18 2.66 0.00 1.70 -0.21 -1.26 -4.76 119.66 119.97 3hfa s GLN 51 Ca 0.21 -0.61 0.07 0.00 0.02 0.00 0.00 55.36 55.05 3hfa s GLN 51 Cb -0.16 -2.54 0.06 0.00 1.00 0.00 0.00 33.01 31.37 3hfa s GLN 51 CO 0.09 0.64 0.73 0.36 -2.12 0.00 0.00 175.29 174.99 3hfa n LYS 52 N 2.07 0.02 -5.08 2.91 2.85 -1.26 -4.97 118.16 114.70 3hfa n LYS 52 Ca -0.17 -0.93 -0.29 0.00 -1.05 0.00 0.00 58.31 55.87 3hfa n LYS 52 Cb 0.53 -1.13 -0.15 0.00 -0.65 0.00 0.00 35.03 33.62 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 -0.57 1.91 0.05 0.58 1.01 -1.26 -1.34 121.20 121.57 3hfa s ILE 53 Ca 0.08 -1.11 -0.26 0.00 0.00 0.00 0.00 60.65 59.36 3hfa s ILE 53 Cb 0.06 -1.60 0.07 0.00 0.01 0.00 0.00 42.46 40.99 3hfa s ILE 53 CO 0.08 0.47 0.62 -0.55 0.00 0.00 0.00 174.94 175.56 3hfa s SER 54 N -0.75 -0.58 0.33 3.58 0.15 0.26 -5.00 113.70 111.69 3hfa s SER 54 Ca 0.09 0.33 -0.27 0.00 0.70 0.00 0.00 55.95 56.80 3hfa s SER 54 Cb -0.09 0.55 -0.09 0.00 -1.71 0.00 0.00 66.02 64.68 3hfa s SER 54 CO -0.00 -0.77 1.11 -0.70 1.20 0.00 0.00 173.24 174.08 3hfa s GLU 55 N -2.43 4.42 -0.12 5.44 2.12 -1.26 -0.68 118.70 126.19 3hfa s GLU 55 Ca -0.05 1.77 -0.06 0.00 0.36 0.00 0.00 54.97 56.99 3hfa s GLU 55 Cb -0.01 -2.95 -0.05 0.00 0.26 0.00 0.00 34.13 31.38 3hfa s GLU 55 CO -0.01 0.02 -0.15 1.28 -0.54 0.00 0.00 175.26 175.86 3hfa n LEU 56 N 0.70 0.91 0.00 2.70 4.77 -0.36 -4.84 117.00 120.88 3hfa n LEU 56 Ca 0.01 0.14 -0.10 0.00 -0.03 0.00 0.00 56.01 56.03 3hfa n LEU 56 Cb 0.46 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 3hfa n LEU 56 CO 0.52 0.26 0.21 0.00 -1.33 0.00 0.00 177.39 177.05 3hfa n TYR 57 N -3.50 -1.45 -0.39 -1.77 9.36 -0.91 -4.75 117.16 113.75 3hfa n TYR 57 Ca -0.23 -1.72 -0.07 0.00 3.32 0.00 0.00 57.90 59.20 3hfa n TYR 57 Cb 0.67 0.50 -0.05 0.00 -0.63 0.00 0.00 39.34 39.83 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 -1.65 -0.87 -0.63 2.98 8.00 -1.26 -2.02 116.55 121.12 3hfa n ASP 58 Ca -0.01 1.67 0.06 0.00 0.71 0.00 0.00 54.79 57.22 3hfa n ASP 58 Cb 0.46 -0.27 0.17 0.00 -0.02 0.00 0.00 41.12 41.45 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 -5.26 2.82 -4.86 -1.24 5.12 -1.26 -0.76 116.66 111.22 3hfa n ARG 59 Ca 0.05 -2.28 -0.29 0.00 -1.93 0.00 0.00 57.85 53.40 3hfa n ARG 59 Cb 0.29 -1.44 -0.17 0.00 -1.16 0.00 0.00 32.46 29.98 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 -1.70 1.62 0.40 1.55 1.01 -0.85 -1.91 120.40 120.51 3hfa s VAL 60 Ca 0.27 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.57 3hfa s VAL 60 Cb 0.19 -1.43 -0.08 0.00 0.00 0.00 0.00 36.38 35.06 3hfa s VAL 60 CO 0.11 0.46 -0.00 -0.83 0.00 0.00 0.00 175.10 174.84 3hfa s GLY 61 N 0.56 2.46 -0.01 4.51 0.00 0.02 -1.23 107.32 113.63 3hfa s GLY 61 Ca -0.16 -2.28 -0.00 0.00 0.00 0.00 0.00 44.72 42.28 3hfa s GLY 61 CO 0.05 -2.09 0.02 -0.12 0.00 0.00 0.00 173.10 170.97 3hfa s PHE 62 N -2.70 -0.01 -0.01 1.90 5.36 0.15 -1.56 117.98 121.11 3hfa s PHE 62 Ca 0.35 0.07 -0.04 0.00 -0.96 0.00 0.00 56.93 56.34 3hfa s PHE 62 Cb 0.09 -0.05 -0.00 0.00 -0.34 0.00 0.00 43.02 42.72 3hfa s PHE 62 CO 0.18 -0.03 0.08 0.00 -1.46 0.00 0.00 175.22 173.99 3hfa s ALA 63 N 0.25 -0.17 0.02 11.12 0.00 -0.56 -0.57 121.76 131.84 3hfa s ALA 63 Ca -0.02 -0.10 -0.05 0.00 0.00 0.00 0.00 51.96 51.79 3hfa s ALA 63 Cb -0.03 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 3hfa s ALA 63 CO -0.01 -0.13 0.09 0.00 0.00 0.00 0.00 175.76 175.71 3hfa s ALA 64 N -0.85 -0.15 0.12 0.00 0.00 -0.45 -0.36 121.76 120.07 3hfa s ALA 64 Ca -0.09 -0.36 0.09 0.00 0.00 0.00 0.00 51.96 51.60 3hfa s ALA 64 Cb -0.06 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 3hfa s ALA 64 CO 0.00 -0.23 -0.22 0.00 0.00 0.00 0.00 175.76 175.31 3hfa s ALA 65 N -1.76 1.98 0.00 0.00 0.00 -0.49 -4.86 121.76 116.62 3hfa s ALA 65 Ca -0.12 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.50 3hfa s ALA 65 Cb -0.06 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.79 3hfa s ALA 65 CO -0.01 0.39 0.00 0.41 0.00 0.00 0.00 175.76 176.55 3hfa n GLY 66 N 0.93 0.24 3.66 0.00 0.00 -1.26 -1.46 105.19 107.31 3hfa n GLY 66 Ca -0.18 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.14 4.21 0.10 1.61 2.20 -0.45 -4.91 119.74 122.35 3hfa s LYS 67 Ca 0.00 1.57 -0.25 0.00 -0.36 0.00 0.00 55.97 56.93 3hfa s LYS 67 Cb 0.00 -3.76 -0.12 0.00 -1.51 0.00 0.00 37.83 32.44 3hfa s LYS 67 CO 0.00 -0.73 1.69 0.35 -0.36 0.00 0.00 175.35 176.29 3hfa h PHE 68 N 8.18 -0.34 -0.76 4.03 3.57 -1.95 -1.57 116.94 128.11 3hfa h PHE 68 Ca -0.25 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.39 3hfa h PHE 68 Cb 1.10 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.92 3hfa h PHE 68 CO 0.80 -0.20 0.50 -2.95 -2.23 0.00 0.00 178.31 174.23 3hfa h ASN 69 N -0.29 0.43 -0.02 0.41 7.08 -1.99 0.17 115.58 121.37 3hfa h ASN 69 Ca 0.00 0.02 -0.07 0.00 -3.08 0.00 0.00 56.30 53.18 3hfa h ASN 69 Cb 0.28 -0.06 0.00 0.00 -2.08 0.00 0.00 38.32 36.46 3hfa h ASN 69 CO -0.04 0.23 -0.27 -0.33 -2.08 0.00 0.00 177.43 174.94 3hfa h GLU 70 N 0.46 0.21 0.00 4.14 5.08 -1.78 -2.43 114.58 120.26 3hfa h GLU 70 Ca 0.37 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3hfa h GLU 70 Cb 0.79 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 3hfa h GLU 70 CO -0.12 0.91 -0.15 0.27 -1.00 0.00 0.00 179.01 178.92 3hfa h PHE 71 N -0.41 0.00 -0.41 4.33 -5.15 -0.84 -2.65 116.94 111.82 3hfa h PHE 71 Ca -0.03 0.00 -0.15 0.00 -0.20 0.00 0.00 57.97 57.59 3hfa h PHE 71 Cb 0.99 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.15 3hfa h PHE 71 CO 0.16 0.15 -0.33 0.22 -2.00 0.00 0.00 178.31 176.51 3hfa h ASP 72 N 0.00 0.99 -0.59 -0.68 3.58 -0.75 0.71 116.42 119.69 3hfa h ASP 72 Ca -0.00 -0.45 0.09 0.00 0.42 0.00 0.00 57.03 57.09 3hfa h ASP 72 Cb 0.92 -0.28 -0.07 0.00 1.72 0.00 0.00 39.33 41.62 3hfa h ASP 72 CO 0.02 1.23 0.20 0.78 -2.88 0.00 0.00 179.24 178.59 3hfa h ASN 73 N 0.77 0.18 -0.20 2.28 2.35 -1.21 -0.57 115.58 119.19 3hfa h ASN 73 Ca 0.07 0.08 -0.13 0.00 -0.55 0.00 0.00 56.30 55.78 3hfa h ASN 73 Cb 0.92 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 3hfa h ASN 73 CO 0.09 0.11 -0.31 -0.07 -1.65 0.00 0.00 177.43 175.60 3hfa h LEU 74 N 0.37 0.72 -0.03 1.61 3.38 -1.19 -1.04 115.31 119.13 3hfa h LEU 74 Ca 0.30 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3hfa h LEU 74 Cb 0.37 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3hfa h LEU 74 CO -0.31 0.98 -0.05 -0.09 0.09 0.00 0.00 178.44 179.06 3hfa h ARG 75 N 0.59 -0.06 -0.62 1.13 2.43 -0.41 -0.28 114.38 117.16 3hfa h ARG 75 Ca 0.07 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3hfa h ARG 75 Cb 0.82 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.36 3hfa h ARG 75 CO 0.07 -0.04 0.20 0.00 -1.51 0.00 0.00 179.97 178.68 3hfa h ARG 76 N -0.07 0.94 -0.50 0.20 3.08 -0.93 -1.72 114.38 115.38 3hfa h ARG 76 Ca 0.03 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 3hfa h ARG 76 Cb 0.11 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3hfa h ARG 76 CO -0.07 0.81 0.04 0.78 -1.07 0.00 0.00 179.97 180.45 3hfa h GLY 77 N 1.02 0.87 0.98 0.04 0.00 -0.83 -0.54 103.07 104.62 3hfa h GLY 77 Ca 0.21 -0.56 -0.10 0.00 0.00 0.00 0.00 47.33 46.87 3hfa h GLY 77 CO -0.01 0.52 -0.18 -1.33 0.00 0.00 0.00 176.54 175.54 3hfa h GLY 78 N 0.97 0.81 0.96 4.60 0.00 -0.52 -0.76 103.07 109.13 3hfa h GLY 78 Ca 0.15 -0.73 -0.04 0.00 0.00 0.00 0.00 47.33 46.71 3hfa h GLY 78 CO 0.01 0.67 0.11 -2.22 0.00 0.00 0.00 176.54 175.11 3hfa h ILE 79 N 0.53 1.23 -0.44 2.60 2.04 -1.11 0.68 117.51 123.05 3hfa h ILE 79 Ca 0.08 -0.82 0.05 0.00 1.00 0.00 0.00 64.86 65.17 3hfa h ILE 79 Cb 0.72 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 3hfa h ILE 79 CO 0.05 0.29 0.17 -0.61 0.00 0.00 0.00 178.15 178.06 3hfa h GLN 80 N 0.61 0.34 0.12 2.37 5.75 -1.00 -0.59 115.11 122.70 3hfa h GLN 80 Ca 0.14 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.62 3hfa h GLN 80 Cb 0.32 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.80 3hfa h GLN 80 CO 0.00 0.23 -0.06 0.35 -2.65 0.00 0.00 178.83 176.70 3hfa h PHE 81 N 0.35 -0.14 0.08 3.99 3.57 -0.72 -2.22 116.94 121.85 3hfa h PHE 81 Ca 0.20 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.71 3hfa h PHE 81 Cb 0.17 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 3hfa h PHE 81 CO -0.14 0.01 -0.14 0.00 -2.23 0.00 0.00 178.31 175.81 3hfa h ALA 82 N 0.60 -0.23 -0.68 2.41 0.00 -0.74 -0.99 119.26 119.63 3hfa h ALA 82 Ca -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hfa h ALA 82 Cb 0.22 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3hfa h ALA 82 CO 0.03 -0.66 0.37 -0.44 0.00 0.00 0.00 179.25 178.55 3hfa h ASP 83 N -0.28 0.84 -0.12 0.00 3.32 -1.12 -0.30 116.42 118.77 3hfa h ASP 83 Ca 0.02 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 3hfa h ASP 83 Cb 0.30 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 3hfa h ASP 83 CO -0.08 0.68 0.00 0.74 -1.72 0.00 0.00 179.24 178.86 3hfa h THR 84 N 0.95 1.25 -0.33 0.35 2.02 -1.20 -2.09 112.91 113.86 3hfa h THR 84 Ca 0.24 -0.79 -0.00 0.00 0.77 0.00 0.00 66.41 66.63 3hfa h THR 84 Cb 0.03 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 3hfa h THR 84 CO -0.04 0.23 0.20 0.03 0.37 0.00 0.00 175.52 176.31 3hfa h ARG 85 N -0.05 0.45 -0.80 6.66 2.47 -0.83 -0.30 114.38 121.97 3hfa h ARG 85 Ca 0.03 -0.04 0.06 0.00 -1.26 0.00 0.00 59.98 58.78 3hfa h ARG 85 Cb 0.35 -0.09 -0.05 0.00 -1.65 0.00 0.00 29.97 28.52 3hfa h ARG 85 CO 0.01 0.33 0.52 0.78 0.56 0.00 0.00 179.97 182.17 3hfa h GLY 86 N 0.43 1.11 1.51 0.04 0.00 -1.06 0.12 103.07 105.22 3hfa h GLY 86 Ca 0.12 -0.35 -0.26 0.00 0.00 0.00 0.00 47.33 46.84 3hfa h GLY 86 CO -0.02 0.26 -1.10 -1.82 0.00 0.00 0.00 176.54 173.86 3hfa h TYR 87 N 0.87 0.65 0.00 5.60 3.20 -0.96 -3.12 116.97 123.21 3hfa h TYR 87 Ca 0.34 -0.40 -0.14 0.00 3.14 0.00 0.00 58.73 61.67 3hfa h TYR 87 Cb 0.23 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 3hfa h TYR 87 CO -0.00 1.26 -0.68 0.00 -1.64 0.00 0.00 178.16 177.10 3hfa h ALA 88 N 0.60 0.61 -3.00 1.82 0.00 -0.53 -3.44 119.26 115.32 3hfa h ALA 88 Ca -0.12 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3hfa h ALA 88 Cb 1.77 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.45 3hfa h ALA 88 CO 0.19 0.85 0.00 0.66 0.00 0.00 0.00 179.25 180.95 3hfa n TYR 89 N -3.34 0.00 -3.95 0.00 4.01 0.35 -5.08 117.16 109.15 3hfa n TYR 89 Ca 0.01 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.67 3hfa n TYR 89 Cb 0.78 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.72 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 0.66 0.27 0.24 7.72 2.15 -1.18 -4.96 116.67 121.56 3hfa s ASP 90 Ca 0.00 -0.77 -0.06 0.00 0.43 0.00 0.00 52.55 52.15 3hfa s ASP 90 Cb 0.00 0.27 0.44 0.00 -0.30 0.00 0.00 42.92 43.33 3hfa s ASP 90 CO 0.00 -0.66 1.69 0.03 -0.17 0.00 0.00 175.17 176.06 3hfa h ARG 91 N 3.00 0.27 0.00 4.34 3.08 -1.88 -0.02 114.38 123.17 3hfa h ARG 91 Ca -0.34 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.70 3hfa h ARG 91 Cb 1.17 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.16 3hfa h ARG 91 CO 0.59 0.18 0.00 0.54 -1.07 0.00 0.00 179.97 180.21 3hfa n ARG 92 N -5.14 0.03 0.01 0.04 5.12 -1.26 -1.65 116.66 113.80 3hfa n ARG 92 Ca 0.13 0.42 0.12 0.00 -1.93 0.00 0.00 57.85 56.60 3hfa n ARG 92 Cb 0.44 -1.57 0.29 0.00 -1.16 0.00 0.00 32.46 30.46 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 -1.62 0.45 -4.69 0.55 8.00 -0.02 -4.82 116.55 114.40 3hfa n ASP 93 Ca 0.01 -0.11 -0.41 0.00 0.71 0.00 0.00 54.79 54.99 3hfa n ASP 93 Cb 0.08 0.14 -0.04 0.00 -0.02 0.00 0.00 41.12 41.27 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 4.96 0.12 2.53 1.01 -0.66 -5.02 120.40 120.33 3hfa s VAL 94 Ca 0.11 1.55 0.03 0.00 0.00 0.00 0.00 61.98 63.67 3hfa s VAL 94 Cb 0.17 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 3hfa s VAL 94 CO 0.68 0.13 -0.09 0.42 0.00 0.00 0.00 175.10 176.24 3hfa s THR 95 N 1.54 0.97 0.20 3.92 -4.23 -1.26 -4.98 115.64 111.80 3hfa s THR 95 Ca 0.38 -1.92 -0.09 0.00 -1.18 0.00 0.00 61.69 58.88 3hfa s THR 95 Cb -0.17 -1.67 0.13 0.00 1.34 0.00 0.00 72.50 72.13 3hfa s THR 95 CO 0.15 -0.74 1.78 1.23 -0.54 0.00 0.00 174.62 176.51 3hfa h GLY 96 N 3.03 1.16 0.45 3.99 0.00 -1.93 -2.24 103.07 107.53 3hfa h GLY 96 Ca -0.36 -0.60 0.07 0.00 0.00 0.00 0.00 47.33 46.44 3hfa h GLY 96 CO 0.61 0.57 0.10 -0.09 0.00 0.00 0.00 176.54 177.73 3hfa h ARG 97 N 1.04 0.23 -0.42 4.80 2.43 -1.96 0.12 114.38 120.62 3hfa h ARG 97 Ca 0.25 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.44 3hfa h ARG 97 Cb 0.16 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 3hfa h ARG 97 CO -0.03 0.15 0.20 0.37 -1.51 0.00 0.00 179.97 179.15 3hfa h GLN 98 N 0.24 0.39 -0.35 0.20 4.15 -1.86 0.74 115.11 118.61 3hfa h GLN 98 Ca 0.22 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.55 3hfa h GLN 98 Cb 0.27 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 3hfa h GLN 98 CO -0.28 0.26 -0.05 -0.07 -1.93 0.00 0.00 178.83 176.75 3hfa h LEU 99 N 0.40 0.65 -0.51 -2.39 3.38 -0.87 -1.52 115.31 114.45 3hfa h LEU 99 Ca 0.18 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.83 3hfa h LEU 99 Cb 0.11 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3hfa h LEU 99 CO -0.14 0.84 0.30 0.00 0.09 0.00 0.00 178.44 179.53 3hfa h ALA 100 N 0.83 0.65 -0.57 1.53 0.00 -0.48 -0.45 119.26 120.77 3hfa h ALA 100 Ca 0.09 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.08 3hfa h ALA 100 Cb 0.54 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 3hfa h ALA 100 CO 0.03 -0.00 0.22 -0.97 0.00 0.00 0.00 179.25 178.53 3hfa h ASN 101 N 0.60 0.23 0.15 0.00 -0.73 -0.66 -0.25 115.58 114.92 3hfa h ASN 101 Ca 0.21 0.07 -0.14 0.00 1.87 0.00 0.00 56.30 58.30 3hfa h ASN 101 Cb 0.03 0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.65 3hfa h ASN 101 CO -0.10 0.15 -0.52 1.62 -0.37 0.00 0.00 177.43 178.21 3hfa h VAL 102 N 0.41 1.34 -0.53 2.57 3.04 -0.65 -2.04 116.25 120.39 3hfa h VAL 102 Ca 0.28 -1.77 -0.06 0.00 -1.01 0.00 0.00 66.70 64.14 3hfa h VAL 102 Cb 0.32 1.79 -0.02 0.00 -2.01 0.00 0.00 31.29 31.37 3hfa h VAL 102 CO -0.27 0.54 0.08 1.88 -1.01 0.00 0.00 177.57 178.78 3hfa h TYR 103 N 0.32 0.94 -0.30 3.17 0.05 -0.70 -0.37 116.97 120.07 3hfa h TYR 103 Ca 0.01 -0.13 0.05 0.00 0.05 0.00 0.00 58.73 58.71 3hfa h TYR 103 Cb 1.02 -0.26 -0.05 0.00 1.01 0.00 0.00 36.73 38.46 3hfa h TYR 103 CO 0.03 0.84 -0.01 0.00 -1.05 0.00 0.00 178.16 177.98 3hfa h ALA 104 N 0.98 0.26 -0.58 3.88 0.00 -0.76 0.14 119.26 123.17 3hfa h ALA 104 Ca 0.16 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 3hfa h ALA 104 Cb 0.42 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3hfa h ALA 104 CO 0.01 -0.42 0.13 0.37 0.00 0.00 0.00 179.25 179.34 3hfa h GLN 105 N 0.08 0.94 0.00 0.00 4.15 -1.26 -0.69 115.11 118.33 3hfa h GLN 105 Ca 0.14 -0.24 -0.00 0.00 0.77 0.00 0.00 58.65 59.33 3hfa h GLN 105 Cb 0.20 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.77 3hfa h GLN 105 CO -0.25 0.88 -0.00 1.15 -1.93 0.00 0.00 178.83 178.68 3hfa h THR 106 N 0.85 1.24 -0.36 2.39 2.02 -0.60 -1.88 112.91 116.57 3hfa h THR 106 Ca 0.18 -0.70 -0.07 0.00 0.77 0.00 0.00 66.41 66.59 3hfa h THR 106 Cb 0.37 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 3hfa h THR 106 CO 0.01 0.18 -0.07 -0.07 0.37 0.00 0.00 175.52 175.93 3hfa h LEU 107 N -0.30 0.58 -0.37 2.58 3.38 -0.74 -0.44 115.31 120.01 3hfa h LEU 107 Ca -0.00 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.85 3hfa h LEU 107 Cb 0.30 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3hfa h LEU 107 CO 0.00 0.70 0.17 1.23 0.09 0.00 0.00 178.44 180.64 3hfa h GLY 108 N 0.93 0.50 0.91 0.83 0.00 -1.03 0.21 103.07 105.41 3hfa h GLY 108 Ca 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 3hfa h GLY 108 CO 0.02 0.08 0.10 -0.84 0.00 0.00 0.00 176.54 175.91 3hfa h THR 109 N 0.36 1.20 -0.69 4.70 2.02 -0.95 -2.74 112.91 116.81 3hfa h THR 109 Ca 0.16 -0.62 0.02 0.00 0.77 0.00 0.00 66.41 66.74 3hfa h THR 109 Cb 0.08 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 3hfa h THR 109 CO -0.12 0.21 0.44 0.40 0.37 0.00 0.00 175.52 176.82 3hfa h ILE 110 N 0.33 1.12 -0.28 3.11 2.04 -0.81 -0.65 117.51 122.36 3hfa h ILE 110 Ca 0.10 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 3hfa h ILE 110 Cb 0.23 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 3hfa h ILE 110 CO -0.00 0.16 0.01 0.15 0.00 0.00 0.00 178.15 178.47 3hfa h PHE 111 N 0.87 0.42 0.00 1.37 3.57 -0.38 -1.52 116.94 121.27 3hfa h PHE 111 Ca 0.27 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 3hfa h PHE 111 Cb -0.02 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.59 3hfa h PHE 111 CO -0.04 0.42 -1.93 0.25 -2.23 0.00 0.00 178.31 174.78 3hfa n THR 112 N -4.33 0.05 0.00 4.41 -2.24 -1.05 -4.70 114.28 106.41 3hfa n THR 112 Ca 0.01 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3hfa n THR 112 Cb 0.21 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 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 -2.29 1.44 -1.20 -0.78 1.02 -0.27 -5.04 120.64 113.52 3hfa n GLU 113 Ca -0.04 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.79 3hfa n GLU 113 Cb 0.57 -0.98 0.10 0.00 -0.02 0.00 0.00 31.44 31.11 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 -1.93 2.13 0.28 3.49 2.00 -0.58 -4.94 119.66 120.11 3hfa s GLN 114 Ca 0.00 1.21 -0.02 0.00 -2.00 0.00 0.00 55.36 54.55 3hfa s GLN 114 Cb 0.00 -1.88 0.39 0.00 0.80 0.00 0.00 33.01 32.32 3hfa s GLN 114 CO 0.00 -1.75 1.83 0.00 -0.50 0.00 0.00 175.29 174.88 3hfa h ALA 115 N -1.21 1.22 -4.01 1.58 0.00 -1.96 -3.42 119.26 111.46 3hfa h ALA 115 Ca -0.43 -0.19 -0.38 0.00 0.00 0.00 0.00 54.91 53.90 3hfa h ALA 115 Cb 1.23 -0.23 -0.29 0.00 0.00 0.00 0.00 17.79 18.51 3hfa h ALA 115 CO 0.50 0.55 -0.77 0.21 0.00 0.00 0.00 179.25 179.74 3hfa s LYS 116 N -5.28 0.67 0.75 0.00 2.20 -1.26 -5.14 119.74 111.67 3hfa s LYS 116 Ca -0.10 -0.30 -0.14 0.00 -0.36 0.00 0.00 55.97 55.07 3hfa s LYS 116 Cb 0.16 -0.65 0.05 0.00 -1.51 0.00 0.00 37.83 35.88 3hfa s LYS 116 CO 0.80 0.18 1.19 -2.14 -0.36 0.00 0.00 175.35 175.02 3hfa s PRO 117 N -0.20 2.07 -0.01 4.03 0.02 -1.26 -4.91 135.00 134.74 3hfa s PRO 117 Ca 0.03 1.71 -0.30 0.00 0.02 0.00 0.00 61.00 62.46 3hfa s PRO 117 Cb -0.03 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.62 3hfa s PRO 117 CO -0.00 -1.88 1.14 0.71 -0.33 0.00 0.00 177.00 176.64 3hfa s TYR 118 N -2.09 3.39 -1.28 6.54 1.51 -1.26 -4.92 117.35 119.24 3hfa s TYR 118 Ca 0.73 1.37 -0.11 0.00 -1.01 0.00 0.00 57.07 58.04 3hfa s TYR 118 Cb -0.28 -3.34 0.15 0.00 -0.11 0.00 0.00 41.96 38.38 3hfa s TYR 118 CO 0.47 -0.96 1.79 0.39 -1.11 0.00 0.00 175.55 176.13 3hfa n GLU 119 N 4.51 3.47 -3.98 -0.62 1.02 -1.26 -4.78 120.64 118.99 3hfa n GLU 119 Ca 0.09 -3.51 -0.08 0.00 -0.02 0.00 0.00 57.16 53.64 3hfa n GLU 119 Cb 0.47 -3.01 -0.10 0.00 -0.02 0.00 0.00 31.44 28.78 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 1.11 0.16 -0.03 2.62 -7.23 -1.26 -1.34 120.40 114.43 3hfa s VAL 120 Ca 0.42 -1.33 0.01 0.00 -1.81 0.00 0.00 61.98 59.27 3hfa s VAL 120 Cb 0.07 -1.08 0.02 0.00 0.56 0.00 0.00 36.38 35.94 3hfa s VAL 120 CO -0.00 -0.73 -0.05 -0.70 -0.31 0.00 0.00 175.10 173.31 3hfa s GLU 121 N -3.06 0.69 0.07 4.82 2.12 -0.53 -3.36 118.70 119.45 3hfa s GLU 121 Ca -0.01 -0.12 0.07 0.00 0.36 0.00 0.00 54.97 55.27 3hfa s GLU 121 Cb 0.02 -0.70 -0.04 0.00 0.26 0.00 0.00 34.13 33.67 3hfa s GLU 121 CO -0.07 -0.02 -0.14 -0.51 -0.54 0.00 0.00 175.26 173.98 3hfa s LEU 122 N 0.61 2.83 -0.10 2.70 1.43 0.35 -1.40 118.68 125.10 3hfa s LEU 122 Ca -0.08 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 3hfa s LEU 122 Cb -0.11 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.46 3hfa s LEU 122 CO -0.00 0.22 -0.18 0.00 0.23 0.00 0.00 176.35 176.62 3hfa s VAL 124 N 0.72 3.35 0.08 0.00 1.01 -0.09 -1.50 120.40 123.97 3hfa s VAL 124 Ca -0.12 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 61.37 3hfa s VAL 124 Cb -0.16 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 3hfa s VAL 124 CO 0.02 0.52 -0.18 0.00 0.00 0.00 0.00 175.10 175.46 3hfa s ALA 125 N 0.28 1.53 -0.00 5.51 0.00 -0.60 -0.29 121.76 128.18 3hfa s ALA 125 Ca -0.07 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.78 3hfa s ALA 125 Cb -0.15 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.78 3hfa s ALA 125 CO 0.05 0.28 0.00 -2.00 0.00 0.00 0.00 175.76 174.09 3hfa s GLU 126 N -1.71 0.03 0.40 0.00 2.12 -0.29 -0.80 118.70 118.45 3hfa s GLU 126 Ca 0.03 0.02 0.08 0.00 0.36 0.00 0.00 54.97 55.46 3hfa s GLU 126 Cb -0.10 -0.09 -0.05 0.00 0.26 0.00 0.00 34.13 34.15 3hfa s GLU 126 CO 0.03 -0.03 0.15 0.14 -0.54 0.00 0.00 175.26 175.02 3hfa s VAL 127 N 0.22 2.40 0.78 3.70 -7.23 -0.80 -0.93 120.40 118.54 3hfa s VAL 127 Ca -0.02 -1.74 -0.13 0.00 -1.81 0.00 0.00 61.98 58.28 3hfa s VAL 127 Cb -0.03 -2.97 0.07 0.00 0.56 0.00 0.00 36.38 34.00 3hfa s VAL 127 CO -0.01 -0.04 1.18 0.00 -0.31 0.00 0.00 175.10 175.93 3hfa s ALA 128 N -2.58 1.97 0.62 1.32 0.00 -1.26 -4.87 121.76 116.96 3hfa s ALA 128 Ca 0.40 0.76 -0.15 0.00 0.00 0.00 0.00 51.96 52.97 3hfa s ALA 128 Cb 0.03 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 3hfa s ALA 128 CO 0.22 -2.09 1.06 -1.01 0.00 0.00 0.00 175.76 173.95 3hfa s HIS 129 N -2.23 2.98 0.04 0.00 3.76 -1.26 -4.81 115.29 113.77 3hfa s HIS 129 Ca 0.71 1.50 -0.36 0.00 -0.15 0.00 0.00 55.06 56.76 3hfa s HIS 129 Cb -0.26 -3.00 -0.15 0.00 1.11 0.00 0.00 32.58 30.27 3hfa s HIS 129 CO 0.49 -1.18 1.50 0.98 -0.85 0.00 0.00 174.74 175.68 3hfa n TYR 130 N -2.27 1.86 -1.01 1.40 9.36 -1.26 -0.97 117.16 124.28 3hfa n TYR 130 Ca 0.09 0.47 -0.00 0.00 3.32 0.00 0.00 57.90 61.77 3hfa n TYR 130 Cb 0.53 -2.43 -0.00 0.00 -0.63 0.00 0.00 39.34 36.80 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 3.15 0.47 3.73 2.98 0.00 -1.26 -5.03 105.19 109.23 3hfa n GLY 131 Ca 0.19 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.43 2.62 -0.23 1.61 2.02 -0.14 -5.11 118.70 119.04 3hfa s GLU 132 Ca 0.00 -1.17 -0.05 0.00 0.02 0.00 0.00 54.97 53.77 3hfa s GLU 132 Cb 0.00 -2.40 -0.01 0.00 0.10 0.00 0.00 34.13 31.82 3hfa s GLU 132 CO 0.00 0.40 0.00 0.95 0.02 0.00 0.00 175.26 176.64 3hfa s THR 133 N -2.10 3.72 -0.29 3.63 -4.23 -1.26 -4.75 115.64 110.36 3hfa s THR 133 Ca 0.31 -0.40 -0.14 0.00 -1.18 0.00 0.00 61.69 60.28 3hfa s THR 133 Cb -0.08 -2.73 0.12 0.00 1.34 0.00 0.00 72.50 71.16 3hfa s THR 133 CO 0.22 0.37 0.79 -0.75 -0.54 0.00 0.00 174.62 174.71 3hfa s LYS 134 N 1.53 0.53 0.27 3.99 2.20 -1.26 -5.07 119.74 121.92 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 0.41 -0.13 0.00 -1.51 0.00 0.00 37.83 36.45 3hfa s LYS 134 CO -0.01 -0.14 1.33 0.54 -0.36 0.00 0.00 175.35 176.71 3hfa n ARG 135 N 4.67 1.97 -1.36 4.03 1.74 -1.26 -4.25 116.66 122.20 3hfa n ARG 135 Ca -0.15 0.70 -0.36 0.00 -0.77 0.00 0.00 57.85 57.27 3hfa n ARG 135 Cb 0.54 -2.30 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 1.49 0.53 -5.19 5.56 -0.02 -1.26 -4.81 135.00 131.29 3hfa n PRO 136 Ca 0.10 0.24 -0.32 0.00 -2.02 0.00 0.00 63.50 61.50 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 -3.42 2.70 -0.11 -0.52 2.02 -0.10 -4.98 118.70 114.29 3hfa s GLU 137 Ca 0.74 -0.87 0.03 0.00 0.02 0.00 0.00 54.97 54.89 3hfa s GLU 137 Cb -0.34 -2.24 0.01 0.00 0.10 0.00 0.00 34.13 31.66 3hfa s GLU 137 CO 0.49 0.35 -0.20 -0.51 0.02 0.00 0.00 175.26 175.41 3hfa s LEU 138 N -0.08 1.98 -0.05 1.80 1.43 -1.23 -1.14 118.68 121.39 3hfa s LEU 138 Ca -0.06 -0.53 0.05 0.00 -1.03 0.00 0.00 54.13 52.57 3hfa s LEU 138 Cb -0.14 -1.30 -0.01 0.00 0.03 0.00 0.00 46.19 44.77 3hfa s LEU 138 CO 0.05 0.09 -0.20 -0.31 0.23 0.00 0.00 176.35 176.20 3hfa s TYR 139 N 0.67 2.03 -0.16 0.29 2.02 0.60 -0.25 117.35 122.55 3hfa s TYR 139 Ca -0.12 -0.61 -0.01 0.00 -0.37 0.00 0.00 57.07 55.97 3hfa s TYR 139 Cb -0.16 -1.35 -0.00 0.00 -0.40 0.00 0.00 41.96 40.04 3hfa s TYR 139 CO 0.02 -0.20 -0.13 0.50 -1.57 0.00 0.00 175.55 174.17 3hfa s ARG 140 N -0.01 3.26 -0.15 -0.62 3.00 0.17 -0.92 118.95 123.69 3hfa s ARG 140 Ca -0.05 -0.72 0.00 0.00 -1.00 0.00 0.00 55.73 53.97 3hfa s ARG 140 Cb -0.13 -2.69 -0.00 0.00 0.00 0.00 0.00 34.95 32.13 3hfa s ARG 140 CO 0.03 0.00 -0.15 0.42 0.00 0.00 0.00 175.30 175.60 3hfa s ILE 141 N 0.87 2.67 0.54 4.11 1.09 0.12 -1.51 121.20 129.09 3hfa s ILE 141 Ca -0.04 -0.77 0.09 0.00 -1.10 0.00 0.00 60.65 58.84 3hfa s ILE 141 Cb -0.15 -2.13 0.07 0.00 -1.06 0.00 0.00 42.46 39.19 3hfa s ILE 141 CO -0.00 0.51 0.74 0.42 -0.10 0.00 0.00 174.94 176.51 3hfa s THR 142 N 0.81 2.31 0.54 2.92 -4.23 -0.63 -0.50 115.64 116.87 3hfa s THR 142 Ca -0.05 -1.01 0.38 0.00 -1.18 0.00 0.00 61.69 59.83 3hfa s THR 142 Cb -0.15 -2.32 0.40 0.00 1.34 0.00 0.00 72.50 71.77 3hfa s THR 142 CO -0.00 0.00 2.26 0.10 -0.54 0.00 0.00 174.62 176.44 3hfa h TYR 143 N 0.28 0.00 -0.35 3.99 -0.00 -1.86 -0.83 116.97 118.20 3hfa h TYR 143 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.41 3hfa h TYR 143 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.02 3hfa h TYR 143 CO 0.43 0.02 0.00 -0.40 -0.00 0.00 0.00 178.16 178.21 3hfa n ASP 144 N -3.30 3.29 0.00 0.10 5.75 -1.26 -4.52 116.55 116.61 3hfa n ASP 144 Ca -0.02 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 3hfa n ASP 144 Cb 0.13 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 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 0.75 3.77 6.12 0.00 -0.32 -4.07 105.19 112.91 3hfa n GLY 145 Ca 0.19 0.00 -0.40 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 -2.96 6.04 0.03 1.61 0.01 -1.26 -4.63 113.70 112.53 3hfa s SER 146 Ca 0.00 2.88 0.03 0.00 1.31 0.00 0.00 55.95 60.17 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 -1.06 -0.08 -0.51 0.41 0.00 0.00 173.24 172.00 3hfa s ILE 147 N -1.20 0.62 -0.21 1.44 2.07 -1.26 -1.60 121.20 121.06 3hfa s ILE 147 Ca 0.59 -0.78 -0.19 0.00 -1.41 0.00 0.00 60.65 58.85 3hfa s ILE 147 Cb -0.43 -0.61 0.05 0.00 0.13 0.00 0.00 42.46 41.61 3hfa s ILE 147 CO 0.56 -0.14 0.55 0.00 -1.91 0.00 0.00 174.94 174.00 3hfa s ALA 148 N -0.86 -1.37 -0.19 1.50 0.00 -0.57 -4.99 121.76 115.27 3hfa s ALA 148 Ca -0.04 1.57 -0.06 0.00 0.00 0.00 0.00 51.96 53.43 3hfa s ALA 148 Cb -0.07 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 3hfa s ALA 148 CO 0.00 -0.26 0.04 0.16 0.00 0.00 0.00 175.76 175.70 3hfa s ASP 149 N 0.33 5.28 0.06 0.00 -4.77 -1.26 0.43 116.67 116.74 3hfa s ASP 149 Ca -0.00 -0.05 0.00 0.00 -3.30 0.00 0.00 52.55 49.20 3hfa s ASP 149 Cb -0.04 -1.91 -0.04 0.00 -1.09 0.00 0.00 42.92 39.84 3hfa s ASP 149 CO 0.00 0.11 0.21 -1.61 0.70 0.00 0.00 175.17 174.59 3hfa s GLU 150 N 0.71 3.44 0.03 2.11 0.41 0.66 -4.98 118.70 121.08 3hfa s GLU 150 Ca 0.02 -0.44 -0.16 0.00 -0.41 0.00 0.00 54.97 53.97 3hfa s GLU 150 Cb -0.14 -3.04 -0.34 0.00 -1.78 0.00 0.00 34.13 28.84 3hfa s GLU 150 CO 0.02 0.61 1.01 -1.35 -0.49 0.00 0.00 175.26 175.06 3hfa h PRO 151 N 3.06 0.55 0.00 0.39 0.11 -1.95 -3.26 132.00 130.90 3hfa h PRO 151 Ca -0.45 -0.88 -0.01 0.00 0.11 0.00 0.00 66.00 64.77 3hfa h PRO 151 Cb 1.16 0.32 -0.00 0.00 0.11 0.00 0.00 31.00 32.59 3hfa h PRO 151 CO 0.76 1.42 -1.03 0.72 -0.21 0.00 0.00 178.00 179.65 3hfa n HIS 152 N -3.77 0.00 -3.58 0.65 8.25 -1.26 -4.84 115.22 110.67 3hfa n HIS 152 Ca -0.16 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.19 3hfa n HIS 152 Cb 1.06 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 32.12 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 -0.33 -0.02 4.41 -0.12 -1.26 -1.11 117.98 117.54 3hfa s PHE 153 Ca -0.01 0.04 0.02 0.00 -0.05 0.00 0.00 56.93 56.94 3hfa s PHE 153 Cb 0.00 0.45 0.00 0.00 -0.63 0.00 0.00 43.02 42.85 3hfa s PHE 153 CO 0.01 -0.85 -0.08 0.08 -0.05 0.00 0.00 175.22 174.33 3hfa s VAL 154 N -3.80 0.66 -0.06 -2.49 1.01 -0.06 -4.85 120.40 110.80 3hfa s VAL 154 Ca 0.04 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.77 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 -0.09 0.21 -0.21 -0.69 0.00 0.00 0.00 175.10 174.32 3hfa s VAL 155 N 0.18 1.76 0.01 2.92 1.01 -1.26 -0.98 120.40 124.04 3hfa s VAL 155 Ca -0.02 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 3hfa s VAL 155 Cb -0.07 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 3hfa s VAL 155 CO 0.00 0.50 -0.00 -0.04 0.00 0.00 0.00 175.10 175.55 3hfa s MET 156 N 0.08 0.21 0.00 2.72 -1.94 0.22 -5.00 119.30 115.60 3hfa s MET 156 Ca -0.08 -0.36 0.00 0.00 -1.71 0.00 0.00 55.69 53.54 3hfa s MET 156 Cb -0.14 0.08 0.00 0.00 2.01 0.00 0.00 34.83 36.78 3hfa s MET 156 CO 0.04 -0.04 0.00 0.41 -0.01 0.00 0.00 175.02 175.43 3hfa n GLY 157 N 2.14 -1.85 7.00 -0.03 0.00 -1.26 -0.32 105.19 110.87 3hfa n GLY 157 Ca -0.19 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.91 0.99 3.49 -0.02 0.00 -0.24 -4.22 105.19 104.28 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 4.36 -0.17 2.61 -4.23 -1.26 -4.53 115.64 112.43 3hfa s THR 159 Ca 0.00 -0.05 0.17 0.00 -1.18 0.00 0.00 61.69 60.63 3hfa s THR 159 Cb 0.00 -4.61 -0.00 0.00 1.34 0.00 0.00 72.50 69.23 3hfa s THR 159 CO 0.00 -1.28 1.18 0.71 -0.54 0.00 0.00 174.62 174.69 3hfa h THR 160 N 5.99 0.60 0.08 3.99 1.35 -1.96 -3.39 112.91 119.57 3hfa h THR 160 Ca -0.27 -1.95 0.02 0.00 -0.55 0.00 0.00 66.41 63.66 3hfa h THR 160 Cb 1.07 2.16 -0.05 0.00 -1.73 0.00 0.00 68.15 69.61 3hfa h THR 160 CO 1.13 0.34 -0.39 -0.08 -0.25 0.00 0.00 175.52 176.27 3hfa h GLU 161 N 0.00 -0.58 -0.98 4.72 4.57 -1.95 0.21 114.58 120.57 3hfa h GLU 161 Ca -0.06 0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 3hfa h GLU 161 Cb 1.40 0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 30.07 3hfa h GLU 161 CO 0.05 -0.39 0.65 -1.35 -1.18 0.00 0.00 179.01 176.79 3hfa h PRO 162 N -0.60 1.23 -0.25 0.92 0.11 -1.83 -0.26 132.00 131.32 3hfa h PRO 162 Ca 0.03 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.03 3hfa h PRO 162 Cb 0.65 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 3hfa h PRO 162 CO -0.26 0.81 0.00 0.82 -0.21 0.00 0.00 178.00 179.17 3hfa h ILE 163 N 1.27 1.25 -0.71 4.15 2.04 -1.55 -0.42 117.51 123.53 3hfa h ILE 163 Ca 0.38 -0.89 -0.06 0.00 1.00 0.00 0.00 64.86 65.29 3hfa h ILE 163 Cb -0.04 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 3hfa h ILE 163 CO -0.11 0.28 0.21 0.00 0.00 0.00 0.00 178.15 178.53 3hfa h ALA 164 N 0.82 0.93 -0.11 1.87 0.00 -0.23 -1.26 119.26 121.28 3hfa h ALA 164 Ca 0.07 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3hfa h ALA 164 Cb 0.41 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3hfa h ALA 164 CO 0.01 0.62 0.05 -0.91 0.00 0.00 0.00 179.25 179.03 3hfa h ASN 165 N 1.05 0.14 -0.72 0.00 2.35 -0.94 0.19 115.58 117.64 3hfa h ASN 165 Ca 0.23 -0.11 0.10 0.00 -0.55 0.00 0.00 56.30 55.97 3hfa h ASN 165 Cb 0.32 -0.04 -0.08 0.00 0.05 0.00 0.00 38.32 38.58 3hfa h ASN 165 CO -0.01 0.21 0.35 0.00 -1.65 0.00 0.00 177.43 176.33 3hfa h ALA 166 N 0.93 1.00 -0.01 -0.83 0.00 -0.87 -0.68 119.26 118.81 3hfa h ALA 166 Ca 0.04 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hfa h ALA 166 Cb 0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3hfa h ALA 166 CO -0.00 -0.07 0.00 -0.07 0.00 0.00 0.00 179.25 179.10 3hfa h LEU 167 N 0.58 0.01 -1.97 0.00 -0.00 -0.99 -0.86 115.31 112.08 3hfa h LEU 167 Ca 0.36 -0.23 0.11 0.00 -0.00 0.00 0.00 57.88 58.12 3hfa h LEU 167 Cb 0.42 -0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.06 3hfa h LEU 167 CO -0.29 0.24 0.43 0.50 -0.00 0.00 0.00 178.44 179.32 3hfa h LYS 168 N -0.22 0.00 0.00 1.13 3.64 0.01 0.48 116.57 121.61 3hfa h LYS 168 Ca 0.00 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 3hfa h LYS 168 Cb 0.23 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3hfa h LYS 168 CO 0.00 0.00 -0.86 1.49 -2.27 0.00 0.00 179.45 177.81 3hfa h GLU 169 N 0.00 0.00 -0.00 1.90 4.57 -0.81 -3.41 114.58 116.83 3hfa h GLU 169 Ca 0.17 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 3hfa h GLU 169 Cb 1.04 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.63 3hfa h GLU 169 CO -0.00 0.86 -0.77 -1.13 -1.18 0.00 0.00 179.01 176.78 3hfa n SER 170 N -4.50 1.13 -4.69 1.04 3.41 -0.36 -4.95 113.62 104.71 3hfa n SER 170 Ca -0.23 -0.98 -0.42 0.00 -0.26 0.00 0.00 58.87 56.97 3hfa n SER 170 Cb 0.57 0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 65.22 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 2.58 -0.09 7.33 5.04 0.16 -5.00 117.35 124.51 3hfa s TYR 171 Ca 0.12 0.53 0.03 0.00 -2.44 0.00 0.00 57.07 55.31 3hfa s TYR 171 Cb 0.17 -3.83 -0.01 0.00 0.35 0.00 0.00 41.96 38.64 3hfa s TYR 171 CO 0.76 -3.23 -0.20 0.00 -1.34 0.00 0.00 175.55 171.54 3hfa s ALA 172 N 2.63 2.36 0.35 3.97 0.00 -1.26 -5.00 121.76 124.82 3hfa s ALA 172 Ca 0.69 -0.96 -0.28 0.00 0.00 0.00 0.00 51.96 51.40 3hfa s ALA 172 Cb -0.36 -0.92 -0.11 0.00 0.00 0.00 0.00 23.12 21.74 3hfa s ALA 172 CO 0.29 0.34 1.42 -2.00 0.00 0.00 0.00 175.76 175.81 3hfa s GLU 173 N 0.10 4.21 -1.46 0.00 2.12 -1.26 -3.26 118.70 119.16 3hfa s GLU 173 Ca -0.09 2.42 -0.00 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 0.06 -0.39 0.05 0.09 -0.54 0.00 0.00 175.26 174.53 3hfa n ASN 174 N 0.72 -5.10 -4.73 -1.70 3.02 -1.26 -4.96 115.26 101.25 3hfa n ASN 174 Ca 0.01 -0.04 -0.32 0.00 -0.03 0.00 0.00 54.58 54.20 3hfa n ASN 174 Cb 0.40 -4.16 0.11 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 -2.88 2.00 0.89 5.41 0.00 -1.20 -4.22 121.76 121.75 3hfa s ALA 175 Ca 0.03 0.49 -0.12 0.00 0.00 0.00 0.00 51.96 52.36 3hfa s ALA 175 Cb -0.01 -3.37 0.13 0.00 0.00 0.00 0.00 23.12 19.87 3hfa s ALA 175 CO 0.03 -2.07 1.10 -1.54 0.00 0.00 0.00 175.76 173.29 3hfa s SER 176 N -2.88 3.57 0.22 0.00 1.04 -1.26 -1.72 113.70 112.67 3hfa s SER 176 Ca 0.65 1.32 -0.09 0.00 0.48 0.00 0.00 55.95 58.31 3hfa s SER 176 Cb -0.21 -2.00 0.18 0.00 0.10 0.00 0.00 66.02 64.09 3hfa s SER 176 CO 0.54 -2.55 1.87 0.25 0.98 0.00 0.00 173.24 174.32 3hfa h LEU 177 N -1.49 0.97 -0.27 2.42 5.85 -1.98 0.12 115.31 120.93 3hfa h LEU 177 Ca -0.50 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.14 3hfa h LEU 177 Cb 1.29 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 3hfa h LEU 177 CO 0.57 0.74 0.06 0.74 -0.34 0.00 0.00 178.44 180.22 3hfa h THR 178 N 1.11 1.22 -0.45 1.05 2.02 -1.92 -0.52 112.91 115.42 3hfa h THR 178 Ca 0.29 -0.71 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 3hfa h THR 178 Cb -0.06 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 3hfa h THR 178 CO -0.06 0.23 0.16 0.44 0.37 0.00 0.00 175.52 176.66 3hfa h ASP 179 N 0.26 0.64 -0.31 4.18 3.32 -1.85 -1.75 116.42 120.91 3hfa h ASP 179 Ca 0.08 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 56.96 3hfa h ASP 179 Cb 0.29 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3hfa h ASP 179 CO 0.00 0.66 0.17 0.00 -1.72 0.00 0.00 179.24 178.35 3hfa h ALA 180 N 1.01 0.38 -0.50 3.45 0.00 -0.68 -0.79 119.26 122.12 3hfa h ALA 180 Ca 0.15 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3hfa h ALA 180 Cb 0.24 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3hfa h ALA 180 CO -0.01 -0.20 0.26 1.25 0.00 0.00 0.00 179.25 180.55 3hfa h LEU 181 N 0.36 0.38 -0.16 0.00 5.85 -0.91 0.47 115.31 121.29 3hfa h LEU 181 Ca 0.12 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 3hfa h LEU 181 Cb 0.01 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3hfa h LEU 181 CO -0.06 0.26 0.04 -0.09 -0.34 0.00 0.00 178.44 178.25 3hfa h ARG 182 N 0.51 0.26 -0.62 1.25 2.43 -1.05 0.82 114.38 117.98 3hfa h ARG 182 Ca 0.22 -0.07 0.11 0.00 -0.81 0.00 0.00 59.98 59.44 3hfa h ARG 182 Cb 0.11 -0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 29.54 3hfa h ARG 182 CO -0.14 0.42 0.16 0.82 -1.51 0.00 0.00 179.97 179.71 3hfa h ILE 183 N 0.07 0.66 0.06 1.20 2.04 -0.81 -0.51 117.51 120.22 3hfa h ILE 183 Ca 0.05 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 3hfa h ILE 183 Cb 0.27 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 3hfa h ILE 183 CO 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 178.15 178.17 3hfa h ALA 184 N 1.48 -0.09 -0.95 1.87 0.00 -0.52 -0.99 119.26 120.07 3hfa h ALA 184 Ca 0.33 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.09 3hfa h ALA 184 Cb 0.48 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 3hfa h ALA 184 CO -0.39 -0.34 0.62 0.28 0.00 0.00 0.00 179.25 179.42 3hfa h VAL 185 N -0.50 1.10 0.04 0.00 2.07 -0.69 -0.64 116.25 117.63 3hfa h VAL 185 Ca -0.01 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 3hfa h VAL 185 Cb 0.43 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 3hfa h VAL 185 CO 0.01 0.21 -0.02 0.00 0.02 0.00 0.00 177.57 177.79 3hfa h ALA 186 N 1.47 -0.05 -0.73 1.67 0.00 -1.02 -2.18 119.26 118.43 3hfa h ALA 186 Ca 0.40 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.28 3hfa h ALA 186 Cb 0.14 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3hfa h ALA 186 CO -0.15 -0.39 0.48 0.00 0.00 0.00 0.00 179.25 179.20 3hfa h ALA 187 N 0.62 1.92 -0.46 0.00 0.00 -0.75 -0.15 119.26 120.44 3hfa h ALA 187 Ca -0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3hfa h ALA 187 Cb 0.30 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3hfa h ALA 187 CO 0.01 -0.09 -0.12 1.25 0.00 0.00 0.00 179.25 180.29 3hfa h LEU 188 N 0.56 0.84 -0.42 0.00 5.85 -0.89 -3.17 115.31 118.08 3hfa h LEU 188 Ca 0.35 -0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.86 3hfa h LEU 188 Cb 0.59 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 3hfa h LEU 188 CO -0.12 0.98 0.12 0.03 -0.34 0.00 0.00 178.44 179.11 3hfa h ARG 189 N 0.76 0.26 0.00 1.25 3.08 -0.37 -3.48 114.38 115.89 3hfa h ARG 189 Ca 0.12 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3hfa h ARG 189 Cb 0.63 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3hfa h ARG 189 CO 0.04 0.17 0.00 0.00 -1.07 0.00 0.00 179.97 179.12 3hfa n ALA 190 N -2.40 0.23 0.00 0.04 0.00 -1.19 -5.09 120.51 112.09 3hfa n ALA 190 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3hfa n ALA 190 Cb 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 0.11 0.00 0.00 0.00 4.32 -1.26 -4.14 117.00 116.02 3hfa n LEU 203 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.91 3hfa n LEU 203 Cb 0.00 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 41.84 3hfa n LEU 203 CO 0.00 0.00 0.20 0.61 -1.22 0.00 0.00 177.39 176.98 3hfa n GLY 204 N 0.00 0.58 0.43 -0.72 0.00 -1.26 -4.86 105.19 99.35 3hfa n GLY 204 Ca 0.00 -1.96 0.23 0.00 0.00 0.00 0.00 46.02 44.29 3hfa n GLY 204 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hfa h VAL 205 N -0.52 0.62 0.00 1.61 2.07 -1.95 -1.23 116.25 116.85 3hfa h VAL 205 Ca -0.12 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3hfa h VAL 205 Cb 0.42 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3hfa h VAL 205 CO 0.12 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.75 3hfa h ALA 206 N 1.60 1.00 0.00 1.67 0.00 -1.93 -3.15 119.26 118.44 3hfa h ALA 206 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3hfa h ALA 206 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3hfa h ALA 206 CO -0.11 0.00 -0.00 -1.13 0.00 0.00 0.00 179.25 178.01 3hfa n SER 207 N -2.49 1.95 -4.28 0.00 3.41 -0.49 -4.51 113.62 107.20 3hfa n SER 207 Ca 0.03 -1.98 -0.29 0.00 -0.26 0.00 0.00 58.87 56.37 3hfa n SER 207 Cb 0.34 -0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.13 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 -0.98 2.06 -0.20 1.04 1.43 -1.02 -0.56 118.68 120.45 3hfa s LEU 208 Ca 0.00 -0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 52.61 3hfa s LEU 208 Cb 0.00 -1.22 -0.02 0.00 0.03 0.00 0.00 46.19 44.98 3hfa s LEU 208 CO 0.00 0.28 -0.03 -0.70 0.23 0.00 0.00 176.35 176.13 3hfa s GLU 209 N -0.66 3.51 -0.01 1.70 2.12 -0.33 -4.79 118.70 120.24 3hfa s GLU 209 Ca 0.09 -0.58 0.04 0.00 0.36 0.00 0.00 54.97 54.89 3hfa s GLU 209 Cb -0.09 -3.00 -0.01 0.00 0.26 0.00 0.00 34.13 31.29 3hfa s GLU 209 CO -0.00 -0.03 -0.14 0.08 -0.54 0.00 0.00 175.26 174.63 3hfa s VAL 210 N 1.06 1.08 0.16 3.70 1.01 -1.26 -1.44 120.40 124.71 3hfa s VAL 210 Ca 0.01 -0.58 -0.19 0.00 0.00 0.00 0.00 61.98 61.23 3hfa s VAL 210 Cb -0.15 -0.91 0.04 0.00 0.00 0.00 0.00 36.38 35.37 3hfa s VAL 210 CO 0.01 0.31 0.50 0.00 0.00 0.00 0.00 175.10 175.92 3hfa s ALA 211 N -0.26 -1.15 0.10 5.51 0.00 -0.94 -1.39 121.76 123.63 3hfa s ALA 211 Ca 0.04 0.07 0.04 0.00 0.00 0.00 0.00 51.96 52.11 3hfa s ALA 211 Cb -0.06 0.80 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 3hfa s ALA 211 CO -0.00 -0.73 -0.10 0.14 0.00 0.00 0.00 175.76 175.07 3hfa s VAL 212 N -3.81 0.93 -0.53 0.00 -7.23 -0.20 -0.47 120.40 109.09 3hfa s VAL 212 Ca 0.04 -1.63 -0.17 0.00 -1.81 0.00 0.00 61.98 58.41 3hfa s VAL 212 Cb 0.00 -1.35 0.09 0.00 0.56 0.00 0.00 36.38 35.69 3hfa s VAL 212 CO -0.10 -0.56 0.55 -0.76 -0.31 0.00 0.00 175.10 173.93 3hfa s LEU 213 N -2.43 5.59 -0.50 1.32 1.43 0.32 -1.28 118.68 123.13 3hfa s LEU 213 Ca 0.05 -1.40 -0.21 0.00 -1.03 0.00 0.00 54.13 51.54 3hfa s LEU 213 Cb -0.03 -2.28 0.04 0.00 0.03 0.00 0.00 46.19 43.96 3hfa s LEU 213 CO -0.00 -0.88 0.71 -0.62 0.23 0.00 0.00 176.35 175.79 3hfa s ASP 214 N 3.18 6.28 0.16 2.29 2.15 0.12 -1.76 116.67 129.09 3hfa s ASP 214 Ca 0.08 -0.60 0.16 0.00 0.43 0.00 0.00 52.55 52.62 3hfa s ASP 214 Cb -0.25 -2.34 0.75 0.00 -0.30 0.00 0.00 42.92 40.78 3hfa s ASP 214 CO 0.07 -0.94 1.50 0.00 -0.17 0.00 0.00 175.17 175.62 3hfa n ALA 215 N 6.52 1.39 0.83 3.66 0.00 -0.42 -1.81 120.51 130.68 3hfa n ALA 215 Ca -0.03 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.60 3hfa n ALA 215 Cb 0.47 -1.26 0.41 0.00 0.00 0.00 0.00 19.45 19.07 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 -1.92 0.44 -4.78 0.00 2.85 -1.26 -4.43 115.26 106.16 3hfa n ASN 216 Ca 0.01 0.31 -0.37 0.00 -0.11 0.00 0.00 54.58 54.42 3hfa n ASN 216 Cb 0.12 -0.31 -0.03 0.00 1.24 0.00 0.00 39.78 40.80 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 -3.06 4.12 0.06 1.20 1.81 -0.75 -4.98 118.95 117.34 3hfa s ARG 217 Ca 0.11 1.63 -0.23 0.00 -1.72 0.00 0.00 55.73 55.52 3hfa s ARG 217 Cb 0.16 -2.59 -0.15 0.00 -0.45 0.00 0.00 34.95 31.92 3hfa s ARG 217 CO 0.61 -0.21 1.57 -1.35 -0.68 0.00 0.00 175.30 175.24 3hfa h PRO 218 N 2.55 0.08 0.00 3.54 0.11 -1.89 -3.40 132.00 132.99 3hfa h PRO 218 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3hfa h PRO 218 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3hfa h PRO 218 CO 0.62 0.24 0.00 -2.13 -0.21 0.00 0.00 178.00 176.53 3hfa n ARG 219 N -4.95 0.00 -2.69 1.05 0.63 -1.26 -4.36 116.66 105.08 3hfa n ARG 219 Ca -0.07 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.44 3hfa n ARG 219 Cb 0.12 -0.08 -0.03 0.00 0.45 0.00 0.00 32.46 32.92 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 -1.22 3.35 0.41 -0.14 0.52 -1.26 -4.40 118.95 116.21 3hfa s ARG 220 Ca 0.00 -0.12 0.22 0.00 -0.52 0.00 0.00 55.73 55.31 3hfa s ARG 220 Cb 0.00 -4.08 0.44 0.00 0.52 0.00 0.00 34.95 31.84 3hfa s ARG 220 CO 0.00 -1.71 1.63 0.00 0.02 0.00 0.00 175.30 175.24 3hfa h ALA 221 N 9.55 0.91 -2.44 2.13 0.00 -1.19 -3.45 119.26 124.76 3hfa h ALA 221 Ca -0.26 -0.16 -0.54 0.00 0.00 0.00 0.00 54.91 53.95 3hfa h ALA 221 Cb 1.06 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3hfa h ALA 221 CO 1.17 0.22 0.61 0.12 0.00 0.00 0.00 179.25 181.37 3hfa s PHE 222 N -3.24 3.34 -0.14 0.00 5.36 -1.26 0.10 117.98 122.15 3hfa s PHE 222 Ca 0.05 1.25 -0.10 0.00 -0.96 0.00 0.00 56.93 57.17 3hfa s PHE 222 Cb 0.07 -3.44 0.05 0.00 -0.34 0.00 0.00 43.02 39.36 3hfa s PHE 222 CO 0.67 -1.37 0.36 -0.98 -1.46 0.00 0.00 175.22 172.44 3hfa s ARG 223 N 1.40 0.37 0.38 10.12 1.70 -0.41 -4.96 118.95 127.55 3hfa s ARG 223 Ca 0.58 0.62 -0.21 0.00 -0.47 0.00 0.00 55.73 56.25 3hfa s ARG 223 Cb -0.29 0.05 -0.10 0.00 -0.57 0.00 0.00 34.95 34.04 3hfa s ARG 223 CO 0.27 -0.11 0.90 1.03 -1.08 0.00 0.00 175.30 176.32 3hfa s ARG 224 N 0.87 4.27 -0.28 3.89 0.52 -1.26 -1.03 118.95 125.92 3hfa s ARG 224 Ca -0.06 1.08 0.01 0.00 -0.52 0.00 0.00 55.73 56.25 3hfa s ARG 224 Cb -0.06 -2.38 0.06 0.00 0.52 0.00 0.00 34.95 33.08 3hfa s ARG 224 CO -0.06 0.08 -0.05 0.42 0.02 0.00 0.00 175.30 175.71 3hfa s ILE 225 N -2.00 2.51 0.23 1.52 1.01 -0.48 -4.93 121.20 119.06 3hfa s ILE 225 Ca 0.57 -1.61 0.03 0.00 0.00 0.00 0.00 60.65 59.64 3hfa s ILE 225 Cb -0.12 -2.50 -0.05 0.00 0.01 0.00 0.00 42.46 39.81 3hfa s ILE 225 CO 0.16 -0.12 0.03 0.42 0.00 0.00 0.00 174.94 175.44 3hfa s THR 226 N 1.14 0.83 0.00 2.92 -4.23 -1.26 -4.27 115.64 110.77 3hfa s THR 226 Ca -0.06 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 3hfa s THR 226 Cb -0.20 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.22 3hfa s THR 226 CO -0.04 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 3hfa n GLY 227 N -0.42 3.12 0.17 3.99 0.00 -1.26 -2.51 105.19 108.29 3hfa n GLY 227 Ca -0.04 -0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 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 0.21 -0.54 1.61 4.64 -1.98 -0.12 113.55 117.38 3hfa h SER 228 Ca 0.00 0.04 0.04 0.00 -0.47 0.00 0.00 61.79 61.39 3hfa h SER 228 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 3hfa h SER 228 CO 0.00 0.16 0.30 0.00 -0.87 0.00 0.00 176.83 176.42 3hfa h ALA 229 N 1.25 0.69 -0.38 5.18 0.00 -1.89 0.19 119.26 124.29 3hfa h ALA 229 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3hfa h ALA 229 Cb 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hfa h ALA 229 CO -0.16 -0.01 0.14 1.25 0.00 0.00 0.00 179.25 180.47 3hfa h LEU 230 N 0.59 0.53 -0.41 0.00 5.85 -1.17 -2.42 115.31 118.28 3hfa h LEU 230 Ca 0.23 -0.18 0.09 0.00 0.84 0.00 0.00 57.88 58.85 3hfa h LEU 230 Cb 0.08 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 40.88 3hfa h LEU 230 CO -0.13 0.56 -0.16 -0.61 -0.34 0.00 0.00 178.44 177.77 3hfa h GLN 231 N 0.46 -0.07 -0.50 1.25 5.75 -0.44 -1.19 115.11 120.38 3hfa h GLN 231 Ca 0.12 0.00 0.07 0.00 -0.15 0.00 0.00 58.65 58.70 3hfa h GLN 231 Cb 0.21 0.02 -0.09 0.00 1.07 0.00 0.00 27.48 28.68 3hfa h GLN 231 CO -0.01 -0.05 -0.48 0.00 -2.65 0.00 0.00 178.83 175.64 3hfa h ALA 232 N 1.27 -0.52 -0.74 3.38 0.00 -0.35 -2.20 119.26 120.10 3hfa h ALA 232 Ca 0.20 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3hfa h ALA 232 Cb 0.38 1.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 3hfa h ALA 232 CO -0.46 -0.92 0.44 -0.07 0.00 0.00 0.00 179.25 178.23 3hfa h LEU 233 N -0.30 0.88 0.00 0.00 4.07 -0.93 -3.52 115.31 115.51 3hfa h LEU 233 Ca 0.13 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.04 3hfa h LEU 233 Cb 0.58 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.09 3hfa h LEU 233 CO -0.64 0.68 0.00 0.18 -1.08 0.00 0.00 178.44 177.58