#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfa h GLU 10 N 0.00 0.94 -0.41 0.03 5.08 -2.05 -1.22 114.58 116.94 3hfa h GLU 10 Ca 0.00 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 3hfa h GLU 10 Cb 0.00 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3hfa h GLU 10 CO 0.00 0.79 0.05 0.37 -1.00 0.00 0.00 179.01 179.22 3hfa h GLN 11 N 0.88 0.69 -0.65 2.33 4.15 -2.05 -1.35 115.11 119.11 3hfa h GLN 11 Ca 0.21 -0.19 -0.04 0.00 0.77 0.00 0.00 58.65 59.39 3hfa h GLN 11 Cb 0.20 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 3hfa h GLN 11 CO -0.02 0.74 0.24 0.00 -1.93 0.00 0.00 178.83 177.87 3hfa h ALA 12 N 0.92 0.85 -0.72 3.38 0.00 -1.96 0.21 119.26 121.94 3hfa h ALA 12 Ca 0.12 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3hfa h ALA 12 Cb 0.40 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3hfa h ALA 12 CO 0.01 0.49 0.25 0.52 0.00 0.00 0.00 179.25 180.52 3hfa h MET 13 N 0.93 1.09 -0.70 0.00 2.86 -1.18 0.19 114.93 118.12 3hfa h MET 13 Ca 0.21 -0.21 -0.06 0.00 -2.06 0.00 0.00 59.70 57.59 3hfa h MET 13 Cb 0.24 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 3hfa h MET 13 CO -0.01 0.91 0.22 -0.09 1.06 0.00 0.00 176.91 179.00 3hfa h ARG 14 N 1.06 1.09 -0.34 1.72 2.43 -0.45 0.53 114.38 120.42 3hfa h ARG 14 Ca 0.24 -0.24 -0.09 0.00 -0.81 0.00 0.00 59.98 59.09 3hfa h ARG 14 Cb 0.26 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3hfa h ARG 14 CO -0.01 0.94 -0.12 0.93 -1.51 0.00 0.00 179.97 180.19 3hfa h GLU 15 N 1.03 0.68 -0.67 0.20 5.08 0.02 -1.11 114.58 119.81 3hfa h GLU 15 Ca 0.23 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3hfa h GLU 15 Cb 0.30 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 3hfa h GLU 15 CO -0.01 0.87 0.21 0.00 -1.00 0.00 0.00 179.01 179.08 3hfa h ARG 16 N 0.46 1.05 -0.68 2.33 3.08 -0.46 -0.45 114.38 119.71 3hfa h ARG 16 Ca 0.08 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 3hfa h ARG 16 Cb 0.64 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 3hfa h ARG 16 CO 0.04 0.91 0.30 1.03 -1.07 0.00 0.00 179.97 181.18 3hfa h SER 17 N 0.98 0.91 -0.60 7.04 0.87 -0.76 -0.56 113.55 121.44 3hfa h SER 17 Ca 0.22 -0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.59 3hfa h SER 17 Cb 0.30 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.99 3hfa h SER 17 CO -0.01 0.81 0.22 -0.08 -0.53 0.00 0.00 176.83 177.24 3hfa h GLU 18 N 0.95 0.91 -0.65 2.24 4.57 -0.73 0.32 114.58 122.19 3hfa h GLU 18 Ca 0.23 -0.18 -0.03 0.00 -1.18 0.00 0.00 59.36 58.20 3hfa h GLU 18 Cb 0.16 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 3hfa h GLU 18 CO -0.02 0.79 0.30 1.25 -1.18 0.00 0.00 179.01 180.15 3hfa h LEU 19 N 0.84 0.86 -0.59 1.64 6.46 -0.63 0.37 115.31 124.25 3hfa h LEU 19 Ca 0.20 -0.14 -0.08 0.00 -0.12 0.00 0.00 57.88 57.74 3hfa h LEU 19 Cb 0.24 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 39.93 3hfa h LEU 19 CO -0.01 0.76 0.07 0.00 -0.62 0.00 0.00 178.44 178.64 3hfa h ALA 20 N 1.13 0.79 -0.30 1.25 0.00 -0.72 -2.20 119.26 119.21 3hfa h ALA 20 Ca 0.22 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 3hfa h ALA 20 Cb 0.14 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3hfa h ALA 20 CO -0.03 0.56 -0.49 -0.09 0.00 0.00 0.00 179.25 179.20 3hfa h ARG 21 N 0.89 0.84 -0.30 0.00 2.43 -0.49 -2.47 114.38 115.28 3hfa h ARG 21 Ca 0.18 -0.50 -0.04 0.00 -0.81 0.00 0.00 59.98 58.80 3hfa h ARG 21 Cb 0.46 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 3hfa h ARG 21 CO 0.02 1.14 0.03 0.87 -1.51 0.00 0.00 179.97 180.51 3hfa h LYS 22 N 0.66 0.51 -0.57 0.20 1.57 -0.20 -0.40 116.57 118.33 3hfa h LYS 22 Ca 0.03 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.68 3hfa h LYS 22 Cb 1.09 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.31 3hfa h LYS 22 CO 0.11 0.63 0.36 0.78 -0.57 0.00 0.00 179.45 180.76 3hfa h GLY 23 N 0.32 0.81 0.93 3.86 0.00 -1.39 -1.76 103.07 105.83 3hfa h GLY 23 Ca 0.09 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 3hfa h GLY 23 CO 0.01 0.26 -0.05 -2.22 0.00 0.00 0.00 176.54 174.54 3hfa h ILE 24 N 0.73 1.27 0.00 2.60 2.04 -1.36 -2.51 117.51 120.28 3hfa h ILE 24 Ca 0.22 -1.08 -0.00 0.00 1.00 0.00 0.00 64.86 64.99 3hfa h ILE 24 Cb -0.04 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 3hfa h ILE 24 CO -0.07 0.36 -0.01 0.00 0.00 0.00 0.00 178.15 178.43 3hfa h ALA 25 N 0.83 1.09 -0.00 1.87 0.00 -0.82 -0.28 119.26 121.96 3hfa h ALA 25 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hfa h ALA 25 Cb 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3hfa h ALA 25 CO 0.03 0.01 -0.45 -2.13 0.00 0.00 0.00 179.25 176.70 3hfa n ARG 26 N -3.22 0.26 -2.54 0.00 0.63 -0.68 -3.81 116.66 107.30 3hfa n ARG 26 Ca -0.03 -0.16 -0.22 0.00 -0.92 0.00 0.00 57.85 56.52 3hfa n ARG 26 Cb 0.10 -1.50 0.05 0.00 0.45 0.00 0.00 32.46 31.56 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 3.72 0.57 5.13 0.00 -0.46 -4.90 121.76 122.97 3hfa s ALA 27 Ca 0.15 -1.27 -0.15 0.00 0.00 0.00 0.00 51.96 50.69 3hfa s ALA 27 Cb 0.18 -2.19 -0.05 0.00 0.00 0.00 0.00 23.12 21.06 3hfa s ALA 27 CO 0.65 -0.92 1.02 0.15 0.00 0.00 0.00 175.76 176.66 3hfa s LYS 28 N -4.90 3.62 0.36 0.00 1.02 -1.26 -1.87 119.74 116.72 3hfa s LYS 28 Ca 0.59 1.02 -0.04 0.00 0.02 0.00 0.00 55.97 57.55 3hfa s LYS 28 Cb -0.10 -2.08 -0.05 0.00 -0.52 0.00 0.00 37.83 35.08 3hfa s LYS 28 CO 0.40 -0.55 0.63 -1.12 -0.92 0.00 0.00 175.35 173.80 3hfa s SER 29 N -3.15 6.38 -0.03 2.83 0.01 -1.26 -4.35 113.70 114.14 3hfa s SER 29 Ca 0.60 0.76 -0.04 0.00 1.31 0.00 0.00 55.95 58.57 3hfa s SER 29 Cb -0.12 -2.17 0.01 0.00 0.21 0.00 0.00 66.02 63.95 3hfa s SER 29 CO 0.37 -0.33 0.11 -0.69 0.41 0.00 0.00 173.24 173.11 3hfa s VAL 30 N -2.33 0.03 0.06 3.43 1.01 0.33 -1.74 120.40 121.19 3hfa s VAL 30 Ca 0.45 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.26 3hfa s VAL 30 Cb -0.10 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 3hfa s VAL 30 CO 0.35 -0.13 -0.16 0.68 0.00 0.00 0.00 175.10 175.85 3hfa s VAL 31 N -0.38 1.25 -0.05 2.92 -7.23 0.16 -0.97 120.40 116.10 3hfa s VAL 31 Ca -0.05 -1.23 0.03 0.00 -1.81 0.00 0.00 61.98 58.93 3hfa s VAL 31 Cb -0.03 -1.16 0.00 0.00 0.56 0.00 0.00 36.38 35.76 3hfa s VAL 31 CO 0.00 -0.09 -0.15 0.00 -0.31 0.00 0.00 175.10 174.55 3hfa s ALA 32 N -1.08 1.44 -0.02 1.32 0.00 -0.27 -1.32 121.76 121.83 3hfa s ALA 32 Ca 0.01 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.40 3hfa s ALA 32 Cb -0.09 -0.53 -0.00 0.00 0.00 0.00 0.00 23.12 22.49 3hfa s ALA 32 CO 0.02 0.22 -0.09 -0.51 0.00 0.00 0.00 175.76 175.39 3hfa s LEU 33 N 0.27 1.90 0.28 0.00 1.02 -0.29 -0.93 118.68 120.93 3hfa s LEU 33 Ca -0.08 -0.18 -0.29 0.00 0.02 0.00 0.00 54.13 53.60 3hfa s LEU 33 Cb -0.13 -0.53 -0.09 0.00 0.02 0.00 0.00 46.19 45.46 3hfa s LEU 33 CO 0.03 0.09 1.05 0.00 0.02 0.00 0.00 176.35 177.55 3hfa s ALA 34 N -0.01 3.35 0.29 4.21 0.00 -0.14 -0.94 121.76 128.54 3hfa s ALA 34 Ca 0.00 0.81 -0.02 0.00 0.00 0.00 0.00 51.96 52.75 3hfa s ALA 34 Cb -0.06 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 3hfa s ALA 34 CO 0.00 -0.07 0.37 1.52 0.00 0.00 0.00 175.76 177.57 3hfa s TYR 35 N -1.23 1.10 0.30 0.00 -0.85 0.12 -4.54 117.35 112.25 3hfa s TYR 35 Ca 0.45 -1.29 -0.00 0.00 -0.52 0.00 0.00 57.07 55.71 3hfa s TYR 35 Cb -0.29 -0.26 0.50 0.00 0.38 0.00 0.00 41.96 42.29 3hfa s TYR 35 CO 0.37 -0.96 1.94 0.00 -1.52 0.00 0.00 175.55 175.38 3hfa h ALA 36 N 2.25 1.48 -0.01 9.51 0.00 -1.40 -2.47 119.26 128.61 3hfa h ALA 36 Ca -0.29 -0.04 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 0.41 0.43 -0.14 0.41 0.00 0.00 0.00 179.25 180.36 3hfa n GLY 37 N -1.40 -0.17 0.00 0.00 0.00 -1.26 -5.03 105.19 97.32 3hfa n GLY 37 Ca 0.12 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.22 3.37 -0.02 0.00 -0.93 -2.20 105.19 106.90 3hfa n GLY 38 Ca 0.15 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 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 2.73 -0.16 1.61 1.01 -0.85 0.11 120.40 120.84 3hfa s VAL 39 Ca 0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 3hfa s VAL 39 Cb 0.00 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 3hfa s VAL 39 CO 0.00 0.56 -0.03 -0.22 0.00 0.00 0.00 175.10 175.40 3hfa s LEU 40 N -0.11 3.22 -0.18 3.92 2.96 -0.11 -0.44 118.68 127.94 3hfa s LEU 40 Ca -0.03 -0.16 -0.05 0.00 -0.22 0.00 0.00 54.13 53.67 3hfa s LEU 40 Cb -0.14 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 3hfa s LEU 40 CO 0.04 0.14 0.00 -0.36 -1.32 0.00 0.00 176.35 174.85 3hfa s PHE 41 N 0.51 3.09 -0.06 5.38 0.08 0.26 -1.14 117.98 126.10 3hfa s PHE 41 Ca -0.03 -0.24 -0.00 0.00 0.12 0.00 0.00 56.93 56.78 3hfa s PHE 41 Cb -0.14 -2.03 0.03 0.00 -0.57 0.00 0.00 43.02 40.30 3hfa s PHE 41 CO 0.03 -0.05 -0.02 0.08 -0.10 0.00 0.00 175.22 175.16 3hfa s VAL 42 N 0.56 0.47 -0.01 -0.44 1.01 -0.43 -2.22 120.40 119.33 3hfa s VAL 42 Ca -0.01 -0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.01 3hfa s VAL 42 Cb -0.14 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 3hfa s VAL 42 CO 0.02 0.25 -0.12 0.00 0.00 0.00 0.00 175.10 175.25 3hfa s ALA 43 N 1.48 0.98 -0.23 5.51 0.00 -0.60 -0.66 121.76 128.24 3hfa s ALA 43 Ca -0.02 -0.52 -0.28 0.00 0.00 0.00 0.00 51.96 51.14 3hfa s ALA 43 Cb -0.13 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 3hfa s ALA 43 CO -0.03 0.24 2.00 -1.21 0.00 0.00 0.00 175.76 176.76 3hfa s GLU 44 N -0.32 3.35 -0.26 0.00 2.02 -0.71 -1.16 118.70 121.63 3hfa s GLU 44 Ca 0.04 1.85 -0.01 0.00 0.02 0.00 0.00 54.97 56.87 3hfa s GLU 44 Cb -0.05 -4.26 0.14 0.00 0.10 0.00 0.00 34.13 30.06 3hfa s GLU 44 CO -0.00 -1.84 0.39 1.21 0.02 0.00 0.00 175.26 175.03 3hfa s ASN 45 N 6.84 0.24 0.19 -0.19 3.84 0.08 -4.66 114.94 121.29 3hfa s ASN 45 Ca 0.90 0.09 -0.00 0.00 0.21 0.00 0.00 52.86 54.05 3hfa s ASN 45 Cb -0.30 1.14 0.12 0.00 -0.55 0.00 0.00 41.25 41.66 3hfa s ASN 45 CO 0.35 -0.31 1.48 -0.65 -2.79 0.00 0.00 177.10 175.17 3hfa h PRO 46 N 8.17 0.39 -6.91 0.43 0.11 -1.79 -3.21 132.00 129.20 3hfa h PRO 46 Ca -0.17 -0.29 -0.56 0.00 0.11 0.00 0.00 66.00 65.09 3hfa h PRO 46 Cb 1.15 0.05 0.13 0.00 0.11 0.00 0.00 31.00 32.44 3hfa h PRO 46 CO 0.27 0.92 0.51 0.45 -0.21 0.00 0.00 178.00 179.94 3hfa n SER 47 N -3.87 2.49 0.09 -2.05 2.88 -1.26 -4.77 113.62 107.12 3hfa n SER 47 Ca -0.04 1.04 -0.16 0.00 -1.33 0.00 0.00 58.87 58.38 3hfa n SER 47 Cb 0.66 -1.52 -0.14 0.00 -0.75 0.00 0.00 64.21 62.46 3hfa n SER 47 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 3hfa h ARG 48 N 1.75 0.26 0.00 -1.46 0.11 -1.93 -3.42 114.38 109.69 3hfa h ARG 48 Ca -0.49 -0.44 0.00 0.00 0.10 0.00 0.00 59.98 59.14 3hfa h ARG 48 Cb 1.30 0.17 0.00 0.00 1.11 0.00 0.00 29.97 32.55 3hfa h ARG 48 CO 0.58 1.18 -0.55 -1.13 0.10 0.00 0.00 179.97 180.16 3hfa n SER 49 N -3.50 2.74 -4.64 0.08 3.41 -1.26 -4.99 113.62 105.46 3hfa n SER 49 Ca -0.10 -0.13 -0.39 0.00 -0.26 0.00 0.00 58.87 57.98 3hfa n SER 49 Cb 1.03 0.82 -0.07 0.00 -0.26 0.00 0.00 64.21 65.72 3hfa n SER 49 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hfa s LEU 50 N -2.18 4.09 -0.01 1.04 1.43 -1.26 -5.06 118.68 116.73 3hfa s LEU 50 Ca 0.00 0.56 0.03 0.00 -1.03 0.00 0.00 54.13 53.69 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 -0.23 -0.09 -1.10 0.23 0.00 0.00 176.35 175.16 3hfa s GLN 51 N 1.99 2.52 0.00 1.70 -0.21 -1.26 -4.76 119.66 119.63 3hfa s GLN 51 Ca 0.22 -0.72 0.06 0.00 0.02 0.00 0.00 55.36 54.93 3hfa s GLN 51 Cb -0.15 -2.46 0.04 0.00 1.00 0.00 0.00 33.01 31.44 3hfa s GLN 51 CO 0.09 0.61 0.68 0.36 -2.12 0.00 0.00 175.29 174.91 3hfa n LYS 52 N 1.78 -0.22 -5.16 2.91 2.85 -1.26 -4.97 118.16 114.09 3hfa n LYS 52 Ca -0.16 -0.83 -0.29 0.00 -1.05 0.00 0.00 58.31 55.98 3hfa n LYS 52 Cb 0.52 -1.11 -0.16 0.00 -0.65 0.00 0.00 35.03 33.64 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 -0.47 1.88 0.06 0.58 1.01 -1.26 -1.29 121.20 121.71 3hfa s ILE 53 Ca 0.06 -1.03 -0.24 0.00 0.00 0.00 0.00 60.65 59.45 3hfa s ILE 53 Cb 0.05 -1.56 0.06 0.00 0.01 0.00 0.00 42.46 41.01 3hfa s ILE 53 CO 0.07 0.51 0.56 -0.55 0.00 0.00 0.00 174.94 175.53 3hfa s SER 54 N -0.60 -0.50 0.33 3.58 0.15 0.28 -5.00 113.70 111.96 3hfa s SER 54 Ca 0.09 0.20 -0.27 0.00 0.70 0.00 0.00 55.95 56.67 3hfa s SER 54 Cb -0.09 0.52 -0.09 0.00 -1.71 0.00 0.00 66.02 64.65 3hfa s SER 54 CO -0.01 -0.77 1.10 -0.70 1.20 0.00 0.00 173.24 174.07 3hfa s GLU 55 N -2.61 4.40 -0.12 5.44 2.12 -1.26 -0.48 118.70 126.19 3hfa s GLU 55 Ca -0.04 1.74 -0.05 0.00 0.36 0.00 0.00 54.97 56.98 3hfa s GLU 55 Cb -0.01 -2.92 -0.05 0.00 0.26 0.00 0.00 34.13 31.41 3hfa s GLU 55 CO -0.03 0.01 -0.14 1.28 -0.54 0.00 0.00 175.26 175.84 3hfa n LEU 56 N 0.64 1.02 0.00 2.70 4.77 -0.38 -4.83 117.00 120.91 3hfa n LEU 56 Ca 0.01 0.12 -0.08 0.00 -0.03 0.00 0.00 56.01 56.04 3hfa n LEU 56 Cb 0.46 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 3hfa n LEU 56 CO 0.51 0.28 0.20 0.00 -1.33 0.00 0.00 177.39 177.06 3hfa n TYR 57 N -3.45 -1.41 -0.37 -1.77 9.36 -0.93 -4.75 117.16 113.83 3hfa n TYR 57 Ca -0.23 -1.43 -0.05 0.00 3.32 0.00 0.00 57.90 59.52 3hfa n TYR 57 Cb 0.67 0.46 -0.01 0.00 -0.63 0.00 0.00 39.34 39.82 3hfa n TYR 57 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3hfa h ASP 58 N 1.30 -1.67 -0.22 2.98 3.32 -1.95 -2.14 116.42 118.05 3hfa h ASP 58 Ca -0.20 0.31 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3hfa h ASP 58 Cb 0.79 0.81 0.00 0.00 0.22 0.00 0.00 39.33 41.16 3hfa h ASP 58 CO 0.26 -0.28 0.00 0.54 -1.72 0.00 0.00 179.24 178.04 3hfa n ARG 59 N -5.40 2.84 -5.23 3.56 5.12 -1.26 -0.52 116.66 115.77 3hfa n ARG 59 Ca 0.07 -1.99 -0.32 0.00 -1.93 0.00 0.00 57.85 53.68 3hfa n ARG 59 Cb 0.35 -1.26 -0.17 0.00 -1.16 0.00 0.00 32.46 30.23 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 -1.28 2.08 0.35 1.55 1.01 -0.81 -1.91 120.40 121.40 3hfa s VAL 60 Ca 0.19 -1.03 0.07 0.00 0.00 0.00 0.00 61.98 61.21 3hfa s VAL 60 Cb 0.11 -1.78 -0.07 0.00 0.00 0.00 0.00 36.38 34.65 3hfa s VAL 60 CO 0.10 0.56 -0.03 -0.83 0.00 0.00 0.00 175.10 174.90 3hfa s GLY 61 N 0.17 2.22 -0.01 4.51 0.00 0.15 -1.26 107.32 113.11 3hfa s GLY 61 Ca -0.14 -2.13 0.01 0.00 0.00 0.00 0.00 44.72 42.46 3hfa s GLY 61 CO 0.07 -1.99 -0.01 -0.12 0.00 0.00 0.00 173.10 171.05 3hfa s PHE 62 N -2.81 0.19 -0.01 1.90 5.36 0.36 -1.57 117.98 121.40 3hfa s PHE 62 Ca 0.33 -0.01 -0.04 0.00 -0.96 0.00 0.00 56.93 56.26 3hfa s PHE 62 Cb 0.06 -0.18 -0.00 0.00 -0.34 0.00 0.00 43.02 42.56 3hfa s PHE 62 CO 0.16 -0.04 0.07 0.00 -1.46 0.00 0.00 175.22 173.95 3hfa s ALA 63 N 0.28 -0.16 0.03 11.12 0.00 -0.61 -0.55 121.76 131.87 3hfa s ALA 63 Ca -0.02 -0.12 -0.05 0.00 0.00 0.00 0.00 51.96 51.77 3hfa s ALA 63 Cb -0.05 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 3hfa s ALA 63 CO -0.01 -0.13 0.08 0.00 0.00 0.00 0.00 175.76 175.71 3hfa s ALA 64 N -0.87 -0.08 0.12 0.00 0.00 -0.41 -0.10 121.76 120.43 3hfa s ALA 64 Ca -0.10 -0.48 0.08 0.00 0.00 0.00 0.00 51.96 51.47 3hfa s ALA 64 Cb -0.06 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 3hfa s ALA 64 CO 0.00 -0.27 -0.19 0.00 0.00 0.00 0.00 175.76 175.31 3hfa s ALA 65 N -2.18 1.79 0.00 0.00 0.00 -0.58 -4.86 121.76 115.92 3hfa s ALA 65 Ca -0.09 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.55 3hfa s ALA 65 Cb -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.89 3hfa s ALA 65 CO -0.03 0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.41 3hfa n GLY 66 N 0.75 0.18 3.65 0.00 0.00 -1.26 -1.50 105.19 107.01 3hfa n GLY 66 Ca -0.17 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.47 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 0.00 4.17 0.11 1.61 2.20 -0.45 -4.90 119.74 122.47 3hfa s LYS 67 Ca 0.00 1.51 -0.24 0.00 -0.36 0.00 0.00 55.97 56.88 3hfa s LYS 67 Cb 0.00 -3.77 -0.09 0.00 -1.51 0.00 0.00 37.83 32.46 3hfa s LYS 67 CO 0.00 -0.79 1.69 0.35 -0.36 0.00 0.00 175.35 176.25 3hfa h PHE 68 N 8.30 -0.27 -0.35 4.03 3.57 -1.94 -1.70 116.94 128.58 3hfa h PHE 68 Ca -0.25 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.32 3hfa h PHE 68 Cb 1.09 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.93 3hfa h PHE 68 CO 0.81 -0.16 0.24 -2.95 -2.23 0.00 0.00 178.31 174.02 3hfa h ASN 69 N -0.19 0.16 0.02 0.41 7.08 -1.99 0.15 115.58 121.23 3hfa h ASN 69 Ca 0.03 0.00 -0.08 0.00 -3.08 0.00 0.00 56.30 53.18 3hfa h ASN 69 Cb 0.23 -0.03 0.01 0.00 -2.08 0.00 0.00 38.32 36.44 3hfa h ASN 69 CO -0.09 0.10 -0.31 -0.33 -2.08 0.00 0.00 177.43 174.72 3hfa h GLU 70 N 0.18 0.17 0.00 4.14 5.08 -1.78 -2.54 114.58 119.83 3hfa h GLU 70 Ca 0.16 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 3hfa h GLU 70 Cb 0.40 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3hfa h GLU 70 CO -0.02 1.00 -0.36 0.27 -1.00 0.00 0.00 179.01 178.90 3hfa h PHE 71 N -0.56 0.00 -0.55 4.33 -5.15 -0.97 -2.60 116.94 111.43 3hfa h PHE 71 Ca -0.05 0.00 -0.10 0.00 -0.20 0.00 0.00 57.97 57.63 3hfa h PHE 71 Cb 1.13 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.28 3hfa h PHE 71 CO 0.20 0.36 -0.03 0.22 -2.00 0.00 0.00 178.31 177.06 3hfa h ASP 72 N 0.00 0.98 -0.46 -0.68 3.58 -0.80 0.17 116.42 119.21 3hfa h ASP 72 Ca -0.00 -0.32 0.08 0.00 0.42 0.00 0.00 57.03 57.21 3hfa h ASP 72 Cb 0.95 -0.26 -0.07 0.00 1.72 0.00 0.00 39.33 41.67 3hfa h ASP 72 CO 0.05 1.06 0.04 0.78 -2.88 0.00 0.00 179.24 178.30 3hfa h ASN 73 N 0.87 -0.10 -0.31 2.28 2.35 -1.16 -0.56 115.58 118.96 3hfa h ASN 73 Ca 0.15 0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.90 3hfa h ASN 73 Cb 0.58 0.15 -0.02 0.00 0.05 0.00 0.00 38.32 39.09 3hfa h ASN 73 CO 0.03 -0.02 -0.15 -0.07 -1.65 0.00 0.00 177.43 175.57 3hfa h LEU 74 N 0.16 0.75 -0.06 1.61 3.38 -1.09 -0.70 115.31 119.36 3hfa h LEU 74 Ca 0.23 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3hfa h LEU 74 Cb 0.32 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3hfa h LEU 74 CO -0.34 0.91 -0.04 -0.09 0.09 0.00 0.00 178.44 178.97 3hfa h ARG 75 N 0.67 -0.03 -0.63 1.13 2.43 -0.11 -0.08 114.38 117.76 3hfa h ARG 75 Ca 0.11 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 3hfa h ARG 75 Cb 0.64 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 3hfa h ARG 75 CO 0.04 -0.02 0.19 0.00 -1.51 0.00 0.00 179.97 178.67 3hfa h ARG 76 N -0.03 0.97 -0.69 0.20 3.08 -0.87 -1.68 114.38 115.35 3hfa h ARG 76 Ca 0.04 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.84 3hfa h ARG 76 Cb 0.09 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 3hfa h ARG 76 CO -0.08 0.84 0.22 0.78 -1.07 0.00 0.00 179.97 180.66 3hfa h GLY 77 N 1.04 1.13 0.95 0.04 0.00 -0.78 -0.30 103.07 105.15 3hfa h GLY 77 Ca 0.21 -0.65 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 3hfa h GLY 77 CO -0.01 0.61 -0.06 -1.33 0.00 0.00 0.00 176.54 175.75 3hfa h GLY 78 N 1.08 0.76 1.01 4.60 0.00 -0.60 -0.21 103.07 109.70 3hfa h GLY 78 Ca 0.23 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 3hfa h GLY 78 CO -0.01 0.55 0.25 -2.22 0.00 0.00 0.00 176.54 175.11 3hfa h ILE 79 N 0.51 1.24 -0.30 2.60 2.04 -1.06 0.12 117.51 122.66 3hfa h ILE 79 Ca 0.10 -0.77 0.03 0.00 1.00 0.00 0.00 64.86 65.22 3hfa h ILE 79 Cb 0.55 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 3hfa h ILE 79 CO 0.03 0.30 0.12 -0.61 0.00 0.00 0.00 178.15 177.99 3hfa h GLN 80 N 0.92 0.25 -0.03 2.37 5.75 -0.92 -0.97 115.11 122.49 3hfa h GLN 80 Ca 0.21 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.70 3hfa h GLN 80 Cb 0.23 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.72 3hfa h GLN 80 CO -0.02 0.17 0.01 0.35 -2.65 0.00 0.00 178.83 176.69 3hfa h PHE 81 N 0.26 0.04 -0.06 3.99 3.57 -0.49 -2.11 116.94 122.13 3hfa h PHE 81 Ca 0.13 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3hfa h PHE 81 Cb 0.09 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 3hfa h PHE 81 CO -0.13 0.14 0.04 0.00 -2.23 0.00 0.00 178.31 176.13 3hfa h ALA 82 N 0.90 0.08 -0.45 2.41 0.00 -0.64 -0.99 119.26 120.56 3hfa h ALA 82 Ca 0.01 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3hfa h ALA 82 Cb 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3hfa h ALA 82 CO -0.00 -0.43 0.03 -0.44 0.00 0.00 0.00 179.25 178.41 3hfa h ASP 83 N 0.08 0.68 -0.11 0.00 3.32 -1.15 -0.36 116.42 118.87 3hfa h ASP 83 Ca 0.02 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 3hfa h ASP 83 Cb -0.01 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 3hfa h ASP 83 CO -0.01 0.73 -0.02 0.74 -1.72 0.00 0.00 179.24 178.96 3hfa h THR 84 N 0.68 1.29 -0.17 0.35 2.02 -1.21 -2.21 112.91 113.65 3hfa h THR 84 Ca 0.14 -0.94 0.01 0.00 0.77 0.00 0.00 66.41 66.39 3hfa h THR 84 Cb 0.37 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 3hfa h THR 84 CO 0.01 0.27 0.09 0.03 0.37 0.00 0.00 175.52 176.29 3hfa h ARG 85 N -0.09 0.19 0.00 6.66 2.47 -0.81 0.28 114.38 123.08 3hfa h ARG 85 Ca 0.03 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.73 3hfa h ARG 85 Cb 0.43 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.71 3hfa h ARG 85 CO 0.01 0.13 -0.04 0.78 0.56 0.00 0.00 179.97 181.41 3hfa h GLY 86 N 0.20 0.00 1.27 0.04 0.00 -1.07 0.11 103.07 103.62 3hfa h GLY 86 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.09 3hfa h GLY 86 CO -0.04 0.00 -1.50 -1.82 0.00 0.00 0.00 176.54 173.18 3hfa h TYR 87 N 0.00 0.60 0.00 5.60 3.20 -0.99 -3.09 116.97 122.29 3hfa h TYR 87 Ca -0.00 -0.44 -0.13 0.00 3.14 0.00 0.00 58.73 61.30 3hfa h TYR 87 Cb 0.07 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 3hfa h TYR 87 CO 0.00 1.44 -0.62 0.00 -1.64 0.00 0.00 178.16 177.34 3hfa h ALA 88 N 0.39 0.86 -3.00 1.82 0.00 -0.35 -3.44 119.26 115.54 3hfa h ALA 88 Ca -0.24 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.11 3hfa h ALA 88 Cb 2.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.74 3hfa h ALA 88 CO 0.19 0.77 0.00 0.66 0.00 0.00 0.00 179.25 180.88 3hfa n TYR 89 N -3.63 0.00 -3.82 0.00 4.01 0.33 -5.09 117.16 108.97 3hfa n TYR 89 Ca -0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 3hfa n TYR 89 Cb 0.65 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.61 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 0.61 0.03 0.23 7.72 2.15 -1.17 -4.97 116.67 121.27 3hfa s ASP 90 Ca 0.00 -0.47 -0.07 0.00 0.43 0.00 0.00 52.55 52.44 3hfa s ASP 90 Cb 0.00 0.33 0.24 0.00 -0.30 0.00 0.00 42.92 43.19 3hfa s ASP 90 CO 0.00 -0.66 1.89 0.03 -0.17 0.00 0.00 175.17 176.26 3hfa h ARG 91 N 3.02 1.12 0.00 4.34 3.08 -1.88 -1.67 114.38 122.39 3hfa h ARG 91 Ca -0.33 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.65 3hfa h ARG 91 Cb 1.20 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 31.00 3hfa h ARG 91 CO 0.51 0.74 0.00 0.54 -1.07 0.00 0.00 179.97 180.69 3hfa n ARG 92 N -4.50 0.04 0.00 0.04 5.12 -1.26 -1.94 116.66 114.16 3hfa n ARG 92 Ca 0.10 0.42 0.12 0.00 -1.93 0.00 0.00 57.85 56.57 3hfa n ARG 92 Cb 0.05 -1.59 0.33 0.00 -1.16 0.00 0.00 32.46 30.09 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 -1.66 0.59 -4.70 0.55 8.00 -0.63 -4.82 116.55 113.89 3hfa n ASP 93 Ca 0.01 -0.37 -0.40 0.00 0.71 0.00 0.00 54.79 54.74 3hfa n ASP 93 Cb 0.09 0.15 -0.05 0.00 -0.02 0.00 0.00 41.12 41.29 3hfa n ASP 93 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hfa s VAL 94 N -2.85 5.03 0.12 2.53 1.01 -0.82 -5.01 120.40 120.42 3hfa s VAL 94 Ca 0.16 1.37 0.04 0.00 0.00 0.00 0.00 61.98 63.54 3hfa s VAL 94 Cb 0.18 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 3hfa s VAL 94 CO 0.63 0.20 -0.10 0.42 0.00 0.00 0.00 175.10 176.24 3hfa s THR 95 N 1.22 1.07 0.25 3.92 -4.23 -1.26 -4.99 115.64 111.62 3hfa s THR 95 Ca 0.35 -1.86 -0.06 0.00 -1.18 0.00 0.00 61.69 58.93 3hfa s THR 95 Cb -0.17 -1.63 0.25 0.00 1.34 0.00 0.00 72.50 72.30 3hfa s THR 95 CO 0.15 -0.65 1.92 1.23 -0.54 0.00 0.00 174.62 176.73 3hfa h GLY 96 N 3.15 1.40 0.68 3.99 0.00 -1.93 -2.26 103.07 108.10 3hfa h GLY 96 Ca -0.37 -0.53 0.04 0.00 0.00 0.00 0.00 47.33 46.47 3hfa h GLY 96 CO 0.58 0.52 0.10 -0.09 0.00 0.00 0.00 176.54 177.66 3hfa h ARG 97 N 1.35 0.23 -0.31 4.80 2.43 -1.96 0.11 114.38 121.03 3hfa h ARG 97 Ca 0.36 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.57 3hfa h ARG 97 Cb -0.14 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.31 3hfa h ARG 97 CO -0.08 0.15 0.03 0.37 -1.51 0.00 0.00 179.97 178.94 3hfa h GLN 98 N 0.24 0.13 -0.41 0.20 4.15 -1.88 0.72 115.11 118.26 3hfa h GLN 98 Ca 0.15 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.52 3hfa h GLN 98 Cb 0.14 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 3hfa h GLN 98 CO -0.17 0.08 0.08 -0.07 -1.93 0.00 0.00 178.83 176.82 3hfa h LEU 99 N 0.13 0.63 -0.61 -2.39 3.38 -0.99 -1.33 115.31 114.13 3hfa h LEU 99 Ca 0.15 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3hfa h LEU 99 Cb 0.18 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3hfa h LEU 99 CO -0.22 0.72 0.38 0.00 0.09 0.00 0.00 178.44 179.41 3hfa h ALA 100 N 0.94 0.79 -0.44 1.53 0.00 -0.46 -0.06 119.26 121.55 3hfa h ALA 100 Ca 0.13 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3hfa h ALA 100 Cb 0.34 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3hfa h ALA 100 CO 0.00 0.15 0.21 -0.97 0.00 0.00 0.00 179.25 178.64 3hfa h ASN 101 N 0.77 0.29 -0.06 0.00 -0.73 -0.60 -0.58 115.58 114.67 3hfa h ASN 101 Ca 0.24 0.03 -0.12 0.00 1.87 0.00 0.00 56.30 58.32 3hfa h ASN 101 Cb -0.02 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.54 3hfa h ASN 101 CO -0.08 0.21 -0.35 1.62 -0.37 0.00 0.00 177.43 178.46 3hfa h VAL 102 N 0.42 1.29 -0.62 2.57 3.04 -0.71 -1.88 116.25 120.36 3hfa h VAL 102 Ca 0.19 -1.47 -0.06 0.00 -1.01 0.00 0.00 66.70 64.36 3hfa h VAL 102 Cb 0.11 1.47 -0.03 0.00 -2.01 0.00 0.00 31.29 30.84 3hfa h VAL 102 CO -0.15 0.47 0.17 1.88 -1.01 0.00 0.00 177.57 178.93 3hfa h TYR 103 N 0.47 1.03 -0.12 3.17 0.05 -0.67 -0.26 116.97 120.65 3hfa h TYR 103 Ca 0.05 -0.12 0.02 0.00 0.05 0.00 0.00 58.73 58.74 3hfa h TYR 103 Cb 0.82 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 38.25 3hfa h TYR 103 CO 0.03 0.85 -0.03 0.00 -1.05 0.00 0.00 178.16 177.97 3hfa h ALA 104 N 1.06 0.08 -0.67 3.88 0.00 -0.76 0.21 119.26 123.05 3hfa h ALA 104 Ca 0.20 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3hfa h ALA 104 Cb 0.33 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3hfa h ALA 104 CO -0.00 -0.48 0.39 0.37 0.00 0.00 0.00 179.25 179.52 3hfa h GLN 105 N 0.00 0.91 0.09 0.00 4.15 -1.24 -0.12 115.11 118.91 3hfa h GLN 105 Ca 0.06 -0.09 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 3hfa h GLN 105 Cb 0.08 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.59 3hfa h GLN 105 CO -0.12 0.67 -0.04 1.15 -1.93 0.00 0.00 178.83 178.56 3hfa h THR 106 N 0.91 1.08 -0.49 2.39 2.02 -0.56 -1.74 112.91 116.51 3hfa h THR 106 Ca 0.24 -0.61 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 3hfa h THR 106 Cb 0.00 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 3hfa h THR 106 CO -0.04 0.15 0.14 -0.07 0.37 0.00 0.00 175.52 176.07 3hfa h LEU 107 N -0.39 0.68 -0.59 2.58 3.38 -0.56 -0.33 115.31 120.07 3hfa h LEU 107 Ca -0.01 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.87 3hfa h LEU 107 Cb 0.33 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3hfa h LEU 107 CO 0.02 0.66 0.37 1.23 0.09 0.00 0.00 178.44 180.81 3hfa h GLY 108 N 0.90 0.84 0.85 0.83 0.00 -0.89 0.22 103.07 105.82 3hfa h GLY 108 Ca 0.16 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 3hfa h GLY 108 CO -0.01 0.26 0.01 -0.84 0.00 0.00 0.00 176.54 175.96 3hfa h THR 109 N 0.75 1.25 -0.59 4.70 2.02 -0.80 -2.81 112.91 117.42 3hfa h THR 109 Ca 0.23 -0.87 0.03 0.00 0.77 0.00 0.00 66.41 66.57 3hfa h THR 109 Cb -0.03 1.35 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 3hfa h THR 109 CO -0.08 0.27 0.35 0.40 0.37 0.00 0.00 175.52 176.84 3hfa h ILE 110 N 0.20 1.05 -0.32 3.11 2.04 -0.75 -0.77 117.51 122.06 3hfa h ILE 110 Ca 0.07 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 3hfa h ILE 110 Cb 0.39 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3hfa h ILE 110 CO 0.01 0.13 0.10 0.15 0.00 0.00 0.00 178.15 178.54 3hfa h PHE 111 N 0.69 0.46 0.00 1.37 3.57 -0.41 -1.54 116.94 121.07 3hfa h PHE 111 Ca 0.24 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 3hfa h PHE 111 Cb 0.05 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 3hfa h PHE 111 CO -0.06 0.39 -1.95 0.25 -2.23 0.00 0.00 178.31 174.70 3hfa n THR 112 N -4.38 0.11 -0.00 4.41 -2.24 -1.03 -4.71 114.28 106.44 3hfa n THR 112 Ca 0.02 -0.52 -0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3hfa n THR 112 Cb 0.16 -0.05 -0.00 0.00 -2.10 0.00 0.00 70.33 68.34 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 -2.31 2.11 -1.08 -0.78 1.02 -0.32 -5.04 120.64 114.24 3hfa n GLU 113 Ca -0.05 -0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.78 3hfa n GLU 113 Cb 0.60 -1.01 0.12 0.00 -0.02 0.00 0.00 31.44 31.13 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 -2.01 1.85 0.28 3.49 2.00 -0.59 -4.93 119.66 119.75 3hfa s GLN 114 Ca -0.00 1.29 -0.01 0.00 -2.00 0.00 0.00 55.36 54.64 3hfa s GLN 114 Cb 0.00 -1.84 0.41 0.00 0.80 0.00 0.00 33.01 32.38 3hfa s GLN 114 CO 0.01 -1.97 1.82 0.00 -0.50 0.00 0.00 175.29 174.66 3hfa h ALA 115 N -1.37 1.22 -3.98 1.58 0.00 -1.96 -3.42 119.26 111.31 3hfa h ALA 115 Ca -0.43 -0.21 -0.37 0.00 0.00 0.00 0.00 54.91 53.90 3hfa h ALA 115 Cb 1.24 -0.21 -0.29 0.00 0.00 0.00 0.00 17.79 18.54 3hfa h ALA 115 CO 0.48 0.54 -0.77 0.21 0.00 0.00 0.00 179.25 179.71 3hfa s LYS 116 N -5.17 0.62 0.73 0.00 2.20 -1.26 -5.14 119.74 111.72 3hfa s LYS 116 Ca -0.10 -0.27 -0.15 0.00 -0.36 0.00 0.00 55.97 55.09 3hfa s LYS 116 Cb 0.15 -0.60 0.04 0.00 -1.51 0.00 0.00 37.83 35.92 3hfa s LYS 116 CO 0.80 0.16 1.20 -2.14 -0.36 0.00 0.00 175.35 175.01 3hfa s PRO 117 N -0.18 2.14 0.04 4.03 0.02 -1.26 -4.92 135.00 134.87 3hfa s PRO 117 Ca 0.03 1.72 -0.30 0.00 0.02 0.00 0.00 61.00 62.46 3hfa s PRO 117 Cb -0.03 -1.84 -0.05 0.00 0.02 0.00 0.00 34.50 32.60 3hfa s PRO 117 CO -0.00 -1.83 1.23 0.71 -0.33 0.00 0.00 177.00 176.78 3hfa s TYR 118 N -2.04 3.32 -1.26 6.54 1.51 -1.26 -4.93 117.35 119.23 3hfa s TYR 118 Ca 0.73 1.21 -0.10 0.00 -1.01 0.00 0.00 57.07 57.91 3hfa s TYR 118 Cb -0.28 -3.46 0.17 0.00 -0.11 0.00 0.00 41.96 38.28 3hfa s TYR 118 CO 0.46 -1.47 1.77 0.39 -1.11 0.00 0.00 175.55 175.58 3hfa n GLU 119 N 4.31 3.58 -4.01 -0.62 1.02 -1.26 -4.78 120.64 118.88 3hfa n GLU 119 Ca 0.10 -3.62 -0.08 0.00 -0.02 0.00 0.00 57.16 53.53 3hfa n GLU 119 Cb 0.46 -2.94 -0.10 0.00 -0.02 0.00 0.00 31.44 28.84 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 0.59 0.18 -0.03 2.62 -7.23 -1.26 -1.34 120.40 113.92 3hfa s VAL 120 Ca 0.40 -1.45 0.01 0.00 -1.81 0.00 0.00 61.98 59.13 3hfa s VAL 120 Cb 0.07 -1.19 0.02 0.00 0.56 0.00 0.00 36.38 35.83 3hfa s VAL 120 CO 0.01 -0.80 -0.03 -0.70 -0.31 0.00 0.00 175.10 173.27 3hfa s GLU 121 N -3.31 0.55 0.04 4.82 2.12 -0.56 -3.30 118.70 119.06 3hfa s GLU 121 Ca 0.01 -0.06 0.08 0.00 0.36 0.00 0.00 54.97 55.37 3hfa s GLU 121 Cb 0.03 -0.61 -0.03 0.00 0.26 0.00 0.00 34.13 33.78 3hfa s GLU 121 CO -0.08 -0.06 -0.23 -0.51 -0.54 0.00 0.00 175.26 173.84 3hfa s LEU 122 N 0.73 2.16 -0.13 2.70 1.43 0.25 -1.53 118.68 124.29 3hfa s LEU 122 Ca -0.09 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.48 3hfa s LEU 122 Cb -0.12 -1.11 -0.00 0.00 0.03 0.00 0.00 46.19 44.99 3hfa s LEU 122 CO -0.01 0.21 -0.17 0.00 0.23 0.00 0.00 176.35 176.61 3hfa s VAL 124 N 0.57 3.38 0.09 0.00 1.01 -0.26 -1.57 120.40 123.62 3hfa s VAL 124 Ca -0.10 -0.54 0.08 0.00 0.00 0.00 0.00 61.98 61.42 3hfa s VAL 124 Cb -0.16 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 3hfa s VAL 124 CO 0.04 0.50 -0.21 0.00 0.00 0.00 0.00 175.10 175.43 3hfa s ALA 125 N 0.47 1.81 -0.01 5.51 0.00 -0.61 -0.11 121.76 128.82 3hfa s ALA 125 Ca -0.07 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 50.69 3hfa s ALA 125 Cb -0.15 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.70 3hfa s ALA 125 CO 0.04 0.37 -0.03 -2.00 0.00 0.00 0.00 175.76 174.14 3hfa s GLU 126 N -1.76 0.30 0.41 0.00 2.12 -0.32 -0.68 118.70 118.77 3hfa s GLU 126 Ca 0.07 -0.11 0.07 0.00 0.36 0.00 0.00 54.97 55.37 3hfa s GLU 126 Cb -0.10 -0.31 -0.05 0.00 0.26 0.00 0.00 34.13 33.93 3hfa s GLU 126 CO 0.04 0.05 0.19 0.14 -0.54 0.00 0.00 175.26 175.14 3hfa s VAL 127 N 0.05 2.31 0.72 3.70 -7.23 -0.80 -1.01 120.40 118.13 3hfa s VAL 127 Ca -0.00 -1.69 -0.15 0.00 -1.81 0.00 0.00 61.98 58.34 3hfa s VAL 127 Cb -0.03 -2.99 0.04 0.00 0.56 0.00 0.00 36.38 33.95 3hfa s VAL 127 CO -0.00 0.00 1.18 0.00 -0.31 0.00 0.00 175.10 175.97 3hfa s ALA 128 N -2.60 2.17 0.63 1.32 0.00 -1.26 -4.87 121.76 117.16 3hfa s ALA 128 Ca 0.41 0.78 -0.15 0.00 0.00 0.00 0.00 51.96 53.00 3hfa s ALA 128 Cb 0.04 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 3hfa s ALA 128 CO 0.23 -1.77 1.09 -1.01 0.00 0.00 0.00 175.76 174.30 3hfa s HIS 129 N -2.11 2.74 0.03 0.00 3.76 -1.26 -4.80 115.29 113.65 3hfa s HIS 129 Ca 0.72 1.54 -0.37 0.00 -0.15 0.00 0.00 55.06 56.80 3hfa s HIS 129 Cb -0.27 -3.12 -0.16 0.00 1.11 0.00 0.00 32.58 30.14 3hfa s HIS 129 CO 0.45 -1.50 1.48 0.98 -0.85 0.00 0.00 174.74 175.30 3hfa n TYR 130 N -2.25 1.79 -1.02 1.40 9.36 -1.26 -0.87 117.16 124.31 3hfa n TYR 130 Ca 0.10 0.52 -0.01 0.00 3.32 0.00 0.00 57.90 61.83 3hfa n TYR 130 Cb 0.52 -2.41 -0.00 0.00 -0.63 0.00 0.00 39.34 36.82 3hfa n TYR 130 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3hfa n GLY 131 N 3.05 0.46 3.77 2.98 0.00 -1.26 -5.03 105.19 109.16 3hfa n GLY 131 Ca 0.20 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.73 2.75 -0.23 1.61 2.02 -0.05 -5.11 118.70 118.96 3hfa s GLU 132 Ca 0.00 -1.12 -0.05 0.00 0.02 0.00 0.00 54.97 53.83 3hfa s GLU 132 Cb 0.00 -2.47 -0.01 0.00 0.10 0.00 0.00 34.13 31.75 3hfa s GLU 132 CO 0.00 0.41 -0.02 0.95 0.02 0.00 0.00 175.26 176.62 3hfa s THR 133 N -2.11 3.54 -0.29 3.63 -4.23 -1.26 -4.76 115.64 110.16 3hfa s THR 133 Ca 0.32 -0.49 -0.14 0.00 -1.18 0.00 0.00 61.69 60.20 3hfa s THR 133 Cb -0.08 -2.65 0.13 0.00 1.34 0.00 0.00 72.50 71.24 3hfa s THR 133 CO 0.23 0.37 0.80 -0.75 -0.54 0.00 0.00 174.62 174.73 3hfa s LYS 134 N 1.49 0.51 0.27 3.99 2.20 -1.26 -5.07 119.74 121.87 3hfa s LYS 134 Ca 0.05 1.07 -0.30 0.00 -0.36 0.00 0.00 55.97 56.44 3hfa s LYS 134 Cb -0.15 0.42 -0.13 0.00 -1.51 0.00 0.00 37.83 36.46 3hfa s LYS 134 CO -0.02 -0.14 1.32 0.54 -0.36 0.00 0.00 175.35 176.69 3hfa n ARG 135 N 4.69 1.93 -1.31 4.03 1.74 -1.26 -4.23 116.66 122.25 3hfa n ARG 135 Ca -0.15 0.68 -0.35 0.00 -0.77 0.00 0.00 57.85 57.26 3hfa n ARG 135 Cb 0.54 -2.28 0.09 0.00 -1.02 0.00 0.00 32.46 29.80 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 1.46 0.45 -5.23 5.56 -0.02 -1.26 -4.79 135.00 131.16 3hfa n PRO 136 Ca 0.10 0.21 -0.31 0.00 -2.02 0.00 0.00 63.50 61.48 3hfa n PRO 136 Cb 0.32 -2.25 -0.17 0.00 -0.02 0.00 0.00 33.50 31.39 3hfa n PRO 136 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3hfa s GLU 137 N -3.46 2.56 -0.11 -0.52 2.02 -0.18 -4.98 118.70 114.02 3hfa s GLU 137 Ca 0.73 -0.88 0.03 0.00 0.02 0.00 0.00 54.97 54.87 3hfa s GLU 137 Cb -0.33 -2.14 0.01 0.00 0.10 0.00 0.00 34.13 31.77 3hfa s GLU 137 CO 0.51 0.35 -0.21 -0.51 0.02 0.00 0.00 175.26 175.41 3hfa s LEU 138 N -0.08 2.00 -0.02 1.80 1.43 -1.23 -1.18 118.68 121.41 3hfa s LEU 138 Ca -0.06 -0.53 0.07 0.00 -1.03 0.00 0.00 54.13 52.59 3hfa s LEU 138 Cb -0.14 -1.32 -0.02 0.00 0.03 0.00 0.00 46.19 44.74 3hfa s LEU 138 CO 0.04 0.11 -0.22 -0.31 0.23 0.00 0.00 176.35 176.20 3hfa s TYR 139 N 0.57 2.45 -0.16 0.29 2.02 0.84 -0.48 117.35 122.88 3hfa s TYR 139 Ca -0.14 -0.35 0.01 0.00 -0.37 0.00 0.00 57.07 56.22 3hfa s TYR 139 Cb -0.17 -1.53 0.01 0.00 -0.40 0.00 0.00 41.96 39.87 3hfa s TYR 139 CO 0.04 0.05 -0.17 0.50 -1.57 0.00 0.00 175.55 174.40 3hfa s ARG 140 N -0.74 3.12 -0.16 -0.62 3.52 0.38 -1.11 118.95 123.36 3hfa s ARG 140 Ca 0.11 -0.79 -0.01 0.00 -0.13 0.00 0.00 55.73 54.91 3hfa s ARG 140 Cb -0.10 -2.59 -0.01 0.00 -1.56 0.00 0.00 34.95 30.69 3hfa s ARG 140 CO -0.00 -0.06 -0.12 0.42 -0.81 0.00 0.00 175.30 174.73 3hfa s ILE 141 N 0.96 2.94 0.54 4.11 1.09 0.86 -1.57 121.20 130.13 3hfa s ILE 141 Ca -0.03 -0.68 0.09 0.00 -1.10 0.00 0.00 60.65 58.94 3hfa s ILE 141 Cb -0.15 -2.26 0.07 0.00 -1.06 0.00 0.00 42.46 39.07 3hfa s ILE 141 CO -0.04 0.50 0.74 0.42 -0.10 0.00 0.00 174.94 176.46 3hfa s THR 142 N 0.75 2.32 0.62 2.92 -4.23 -0.57 -0.58 115.64 116.86 3hfa s THR 142 Ca -0.05 -1.01 0.36 0.00 -1.18 0.00 0.00 61.69 59.81 3hfa s THR 142 Cb -0.15 -2.33 0.39 0.00 1.34 0.00 0.00 72.50 71.75 3hfa s THR 142 CO 0.01 0.00 2.30 0.10 -0.54 0.00 0.00 174.62 176.50 3hfa h TYR 143 N 0.29 0.00 -0.30 3.99 -0.00 -1.86 -0.86 116.97 118.23 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 0.44 0.00 0.00 -0.40 -0.00 0.00 0.00 178.16 178.20 3hfa n ASP 144 N -3.52 3.20 0.00 0.10 5.75 -1.26 -4.52 116.55 116.30 3hfa n ASP 144 Ca -0.03 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 3hfa n ASP 144 Cb 0.08 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 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 1.45 0.72 3.76 6.12 0.00 -0.33 -4.07 105.19 112.84 3hfa n GLY 145 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.95 5.60 0.01 1.61 0.01 -1.26 -4.63 113.70 112.10 3hfa s SER 146 Ca 0.00 2.74 0.01 0.00 1.31 0.00 0.00 55.95 60.01 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 -1.34 -0.04 -0.51 0.41 0.00 0.00 173.24 171.76 3hfa s ILE 147 N -1.30 0.25 -0.12 1.44 2.07 -1.26 -1.52 121.20 120.77 3hfa s ILE 147 Ca 0.67 -0.48 -0.09 0.00 -1.41 0.00 0.00 60.65 59.34 3hfa s ILE 147 Cb -0.40 -0.28 0.04 0.00 0.13 0.00 0.00 42.46 41.94 3hfa s ILE 147 CO 0.48 -0.15 0.30 0.00 -1.91 0.00 0.00 174.94 173.67 3hfa s ALA 148 N -0.62 -0.75 -0.09 1.50 0.00 -0.61 -4.99 121.76 116.19 3hfa s ALA 148 Ca -0.05 0.95 -0.12 0.00 0.00 0.00 0.00 51.96 52.75 3hfa s ALA 148 Cb -0.05 -0.57 -0.05 0.00 0.00 0.00 0.00 23.12 22.46 3hfa s ALA 148 CO -0.00 -0.17 0.28 0.16 0.00 0.00 0.00 175.76 176.03 3hfa s ASP 149 N 0.48 6.54 0.01 0.00 1.47 -1.26 -0.47 116.67 123.44 3hfa s ASP 149 Ca -0.03 0.64 0.04 0.00 1.18 0.00 0.00 52.55 54.39 3hfa s ASP 149 Cb -0.04 -2.17 -0.03 0.00 -0.34 0.00 0.00 42.92 40.34 3hfa s ASP 149 CO -0.03 0.28 -0.11 -1.61 0.68 0.00 0.00 175.17 174.39 3hfa s GLU 150 N -0.53 2.42 0.05 2.11 0.41 0.37 -4.99 118.70 118.53 3hfa s GLU 150 Ca 0.18 -0.79 -0.15 0.00 -0.41 0.00 0.00 54.97 53.80 3hfa s GLU 150 Cb -0.14 -2.41 -0.31 0.00 -1.78 0.00 0.00 34.13 29.49 3hfa s GLU 150 CO 0.07 0.59 1.07 -1.35 -0.49 0.00 0.00 175.26 175.15 3hfa h PRO 151 N 4.62 0.61 0.00 0.39 0.11 -1.95 -3.24 132.00 132.53 3hfa h PRO 151 Ca -0.48 -0.88 -0.00 0.00 0.11 0.00 0.00 66.00 64.75 3hfa h PRO 151 Cb 1.16 0.30 -0.00 0.00 0.11 0.00 0.00 31.00 32.57 3hfa h PRO 151 CO 0.52 1.41 -1.01 0.72 -0.21 0.00 0.00 178.00 179.42 3hfa n HIS 152 N -3.77 0.00 -3.56 0.65 8.25 -1.26 -4.82 115.22 110.71 3hfa n HIS 152 Ca -0.15 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.20 3hfa n HIS 152 Cb 1.03 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 32.10 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 -2.00 -0.34 -0.03 4.41 -0.12 -1.26 -0.96 117.98 117.68 3hfa s PHE 153 Ca -0.00 0.06 0.02 0.00 -0.05 0.00 0.00 56.93 56.96 3hfa s PHE 153 Cb 0.00 0.43 0.01 0.00 -0.63 0.00 0.00 43.02 42.82 3hfa s PHE 153 CO 0.00 -0.82 -0.08 0.08 -0.05 0.00 0.00 175.22 174.35 3hfa s VAL 154 N -3.80 0.73 -0.07 -2.49 1.01 -0.11 -4.87 120.40 110.81 3hfa s VAL 154 Ca 0.03 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.73 3hfa s VAL 154 Cb -0.00 -0.66 -0.00 0.00 0.00 0.00 0.00 36.38 35.71 3hfa s VAL 154 CO -0.10 0.24 -0.22 -0.69 0.00 0.00 0.00 175.10 174.32 3hfa s VAL 155 N 0.26 1.86 0.02 2.92 1.01 -1.26 -1.11 120.40 124.10 3hfa s VAL 155 Ca -0.04 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.01 3hfa s VAL 155 Cb -0.09 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 3hfa s VAL 155 CO 0.00 0.52 -0.03 -0.04 0.00 0.00 0.00 175.10 175.55 3hfa s MET 156 N 0.15 0.29 0.00 2.72 -1.94 -0.14 -5.00 119.30 115.38 3hfa s MET 156 Ca -0.11 -0.45 0.00 0.00 -1.71 0.00 0.00 55.69 53.42 3hfa s MET 156 Cb -0.15 -0.04 0.00 0.00 2.01 0.00 0.00 34.83 36.64 3hfa s MET 156 CO 0.06 -0.00 0.00 0.41 -0.01 0.00 0.00 175.02 175.47 3hfa n GLY 157 N 2.06 -1.75 7.00 -0.03 0.00 -1.26 -0.52 105.19 110.69 3hfa n GLY 157 Ca -0.20 -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 -0.80 0.98 3.49 -0.02 0.00 -0.24 -4.21 105.19 104.40 3hfa n GLY 158 Ca 0.00 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 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 4.28 -0.18 2.61 -4.23 -1.26 -4.53 115.64 112.33 3hfa s THR 159 Ca 0.00 -0.03 0.16 0.00 -1.18 0.00 0.00 61.69 60.65 3hfa s THR 159 Cb 0.00 -4.66 0.04 0.00 1.34 0.00 0.00 72.50 69.22 3hfa s THR 159 CO 0.00 -1.37 1.30 0.71 -0.54 0.00 0.00 174.62 174.72 3hfa h THR 160 N 6.00 0.66 0.16 3.99 1.35 -1.95 -3.39 112.91 119.72 3hfa h THR 160 Ca -0.28 -1.99 0.02 0.00 -0.55 0.00 0.00 66.41 63.61 3hfa h THR 160 Cb 1.07 2.25 -0.04 0.00 -1.73 0.00 0.00 68.15 69.69 3hfa h THR 160 CO 1.16 0.37 -0.40 -0.08 -0.25 0.00 0.00 175.52 176.32 3hfa h GLU 161 N 0.00 -0.64 -0.97 4.72 4.57 -1.95 0.23 114.58 120.55 3hfa h GLU 161 Ca -0.04 0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.21 3hfa h GLU 161 Cb 1.37 0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 30.06 3hfa h GLU 161 CO 0.05 -0.43 0.64 -1.35 -1.18 0.00 0.00 179.01 176.75 3hfa h PRO 162 N -0.66 1.23 -0.17 0.92 0.11 -1.83 -0.48 132.00 131.12 3hfa h PRO 162 Ca 0.02 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 3hfa h PRO 162 Cb 0.67 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 3hfa h PRO 162 CO -0.21 0.82 0.02 0.82 -0.21 0.00 0.00 178.00 179.23 3hfa h ILE 163 N 1.27 1.24 -0.82 4.15 2.04 -1.56 -0.73 117.51 123.10 3hfa h ILE 163 Ca 0.37 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 3hfa h ILE 163 Cb -0.08 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 3hfa h ILE 163 CO -0.10 0.23 0.43 0.00 0.00 0.00 0.00 178.15 178.72 3hfa h ALA 164 N 0.80 1.05 -0.07 1.87 0.00 -0.24 -1.00 119.26 121.66 3hfa h ALA 164 Ca 0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hfa h ALA 164 Cb 0.34 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hfa h ALA 164 CO 0.01 0.57 0.03 -0.91 0.00 0.00 0.00 179.25 178.95 3hfa h ASN 165 N 1.14 0.10 -0.81 0.00 2.35 -1.01 0.20 115.58 117.55 3hfa h ASN 165 Ca 0.29 -0.15 0.10 0.00 -0.55 0.00 0.00 56.30 55.98 3hfa h ASN 165 Cb 0.05 -0.03 -0.07 0.00 0.05 0.00 0.00 38.32 38.33 3hfa h ASN 165 CO -0.04 0.23 0.45 0.00 -1.65 0.00 0.00 177.43 176.42 3hfa h ALA 166 N 0.88 1.15 0.06 -0.83 0.00 -0.86 -0.73 119.26 118.93 3hfa h ALA 166 Ca 0.02 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hfa h ALA 166 Cb 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3hfa h ALA 166 CO -0.00 0.07 -0.03 -0.07 0.00 0.00 0.00 179.25 179.22 3hfa h LEU 167 N 0.76 -0.07 -1.87 0.00 -0.00 -0.95 -1.00 115.31 112.18 3hfa h LEU 167 Ca 0.39 -0.24 0.10 0.00 -0.00 0.00 0.00 57.88 58.14 3hfa h LEU 167 Cb 0.37 0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.03 3hfa h LEU 167 CO -0.25 0.20 0.49 0.50 -0.00 0.00 0.00 178.44 179.38 3hfa h LYS 168 N -0.34 0.00 0.00 1.13 3.64 0.11 0.54 116.57 121.65 3hfa h LYS 168 Ca -0.01 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.15 3hfa h LYS 168 Cb 0.30 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 3hfa h LYS 168 CO 0.01 0.00 -1.20 1.49 -2.27 0.00 0.00 179.45 177.48 3hfa h GLU 169 N 0.00 0.01 -0.01 1.90 4.57 -0.83 -3.41 114.58 116.81 3hfa h GLU 169 Ca 0.17 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 3hfa h GLU 169 Cb 1.14 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 3hfa h GLU 169 CO -0.00 1.01 -0.74 -1.13 -1.18 0.00 0.00 179.01 176.96 3hfa n SER 170 N -4.42 1.42 -4.69 1.04 3.41 -0.41 -4.95 113.62 105.02 3hfa n SER 170 Ca -0.31 -1.19 -0.42 0.00 -0.26 0.00 0.00 58.87 56.69 3hfa n SER 170 Cb 0.68 0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 65.33 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 -2.77 2.75 -0.09 7.33 5.04 0.18 -5.00 117.35 124.80 3hfa s TYR 171 Ca 0.13 0.68 0.04 0.00 -2.44 0.00 0.00 57.07 55.48 3hfa s TYR 171 Cb 0.17 -3.75 -0.01 0.00 0.35 0.00 0.00 41.96 38.72 3hfa s TYR 171 CO 0.73 -2.86 -0.22 0.00 -1.34 0.00 0.00 175.55 171.87 3hfa s ALA 172 N 2.39 2.28 0.36 3.97 0.00 -1.26 -5.00 121.76 124.50 3hfa s ALA 172 Ca 0.67 -0.97 -0.28 0.00 0.00 0.00 0.00 51.96 51.37 3hfa s ALA 172 Cb -0.34 -0.86 -0.11 0.00 0.00 0.00 0.00 23.12 21.81 3hfa s ALA 172 CO 0.28 0.33 1.41 -2.00 0.00 0.00 0.00 175.76 175.78 3hfa s GLU 173 N 0.16 4.20 -1.51 0.00 2.12 -1.26 -3.25 118.70 119.15 3hfa s GLU 173 Ca -0.12 2.42 -0.01 0.00 0.36 0.00 0.00 54.97 57.63 3hfa s GLU 173 Cb -0.16 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.23 3hfa s GLU 173 CO 0.07 -0.40 0.09 0.09 -0.54 0.00 0.00 175.26 174.56 3hfa n ASN 174 N 0.58 -5.30 -4.73 -1.70 3.02 -1.26 -4.91 115.26 100.95 3hfa n ASN 174 Ca 0.01 -0.05 -0.32 0.00 -0.03 0.00 0.00 54.58 54.18 3hfa n ASN 174 Cb 0.40 -4.33 0.11 0.00 -0.61 0.00 0.00 39.78 35.35 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 -2.93 2.03 0.88 5.41 0.00 -1.20 -4.01 121.76 121.94 3hfa s ALA 175 Ca 0.04 0.52 -0.12 0.00 0.00 0.00 0.00 51.96 52.40 3hfa s ALA 175 Cb -0.02 -3.37 0.12 0.00 0.00 0.00 0.00 23.12 19.85 3hfa s ALA 175 CO 0.05 -2.01 1.09 -1.54 0.00 0.00 0.00 175.76 173.36 3hfa s SER 176 N -2.81 3.66 0.15 0.00 1.04 -1.26 -1.49 113.70 112.99 3hfa s SER 176 Ca 0.66 1.43 -0.17 0.00 0.48 0.00 0.00 55.95 58.35 3hfa s SER 176 Cb -0.21 -2.12 0.06 0.00 0.10 0.00 0.00 66.02 63.85 3hfa s SER 176 CO 0.52 -2.51 1.71 0.25 0.98 0.00 0.00 173.24 174.18 3hfa h LEU 177 N -1.46 -0.14 -0.49 2.42 5.85 -1.98 0.13 115.31 119.64 3hfa h LEU 177 Ca -0.49 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 3hfa h LEU 177 Cb 1.28 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.43 3hfa h LEU 177 CO 0.56 -0.03 0.29 0.74 -0.34 0.00 0.00 178.44 179.65 3hfa h THR 178 N 0.09 1.16 -0.42 1.05 2.02 -1.92 0.94 112.91 115.83 3hfa h THR 178 Ca 0.16 -0.37 -0.08 0.00 0.77 0.00 0.00 66.41 66.89 3hfa h THR 178 Cb 0.22 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3hfa h THR 178 CO -0.27 0.16 -0.06 0.44 0.37 0.00 0.00 175.52 176.16 3hfa h ASP 179 N 0.65 0.78 -0.35 4.18 3.32 -1.85 -1.56 116.42 121.59 3hfa h ASP 179 Ca 0.17 -0.34 0.01 0.00 0.02 0.00 0.00 57.03 56.89 3hfa h ASP 179 Cb 0.01 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3hfa h ASP 179 CO -0.03 0.94 0.23 0.00 -1.72 0.00 0.00 179.24 178.65 3hfa h ALA 180 N 0.87 0.45 -0.41 3.45 0.00 -0.45 -0.48 119.26 122.68 3hfa h ALA 180 Ca 0.11 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3hfa h ALA 180 Cb 0.57 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3hfa h ALA 180 CO 0.03 -0.10 0.20 1.25 0.00 0.00 0.00 179.25 180.63 3hfa h LEU 181 N 0.47 0.28 -0.14 0.00 5.85 -0.66 -0.02 115.31 121.08 3hfa h LEU 181 Ca 0.13 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3hfa h LEU 181 Cb -0.04 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3hfa h LEU 181 CO -0.04 0.20 0.05 -0.09 -0.34 0.00 0.00 178.44 178.22 3hfa h ARG 182 N 0.40 0.22 -0.54 1.25 2.43 -0.98 0.53 114.38 117.69 3hfa h ARG 182 Ca 0.18 -0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.41 3hfa h ARG 182 Cb 0.10 -0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 29.53 3hfa h ARG 182 CO -0.13 0.34 0.02 0.82 -1.51 0.00 0.00 179.97 179.50 3hfa h ILE 183 N 0.05 0.59 0.08 1.20 2.04 -0.84 -0.72 117.51 119.91 3hfa h ILE 183 Ca 0.05 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3hfa h ILE 183 Cb 0.21 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3hfa h ILE 183 CO -0.00 0.02 -0.04 0.00 0.00 0.00 0.00 178.15 178.13 3hfa h ALA 184 N 1.47 -0.11 -0.96 1.87 0.00 -0.65 -0.49 119.26 120.40 3hfa h ALA 184 Ca 0.28 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3hfa h ALA 184 Cb 0.42 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 3hfa h ALA 184 CO -0.44 -0.43 0.63 0.28 0.00 0.00 0.00 179.25 179.28 3hfa h VAL 185 N -0.36 1.17 0.07 0.00 2.07 -0.71 -0.33 116.25 118.16 3hfa h VAL 185 Ca -0.01 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 3hfa h VAL 185 Cb 0.31 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 3hfa h VAL 185 CO 0.02 0.22 -0.04 0.00 0.02 0.00 0.00 177.57 177.79 3hfa h ALA 186 N 1.39 -0.10 -0.84 1.67 0.00 -1.04 -2.11 119.26 118.23 3hfa h ALA 186 Ca 0.38 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 55.29 3hfa h ALA 186 Cb -0.01 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 3hfa h ALA 186 CO -0.12 -0.42 0.55 0.00 0.00 0.00 0.00 179.25 179.27 3hfa h ALA 187 N 0.52 1.97 -0.47 0.00 0.00 -0.66 -0.20 119.26 120.41 3hfa h ALA 187 Ca -0.01 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3hfa h ALA 187 Cb 0.33 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3hfa h ALA 187 CO 0.02 -0.20 -0.08 1.25 0.00 0.00 0.00 179.25 180.24 3hfa h LEU 188 N 0.57 0.82 -0.41 0.00 5.85 -0.79 -3.16 115.31 118.19 3hfa h LEU 188 Ca 0.42 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.95 3hfa h LEU 188 Cb 0.80 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 3hfa h LEU 188 CO -0.17 0.93 0.15 0.03 -0.34 0.00 0.00 178.44 179.04 3hfa h ARG 189 N 0.76 0.30 -0.27 1.25 3.08 -0.34 -3.48 114.38 115.69 3hfa h ARG 189 Ca 0.13 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3hfa h ARG 189 Cb 0.57 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3hfa h ARG 189 CO 0.03 0.20 0.00 0.00 -1.07 0.00 0.00 179.97 179.14 3hfa n ALA 190 N -2.36 0.27 0.00 0.04 0.00 -1.19 -5.09 120.51 112.18 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 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.36 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 0.23 0.00 0.00 0.00 4.32 -1.26 -4.11 117.00 116.18 3hfa n LEU 203 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.85 3hfa n LEU 203 Cb 0.00 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 41.81 3hfa n LEU 203 CO 0.00 0.00 0.07 0.61 -1.22 0.00 0.00 177.39 176.85 3hfa n GLY 204 N 0.00 2.68 0.41 -0.72 0.00 -1.26 -4.98 105.19 101.32 3hfa n GLY 204 Ca 0.00 -2.23 0.21 0.00 0.00 0.00 0.00 46.02 44.00 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 0.47 0.68 0.00 1.61 2.07 -1.95 -1.33 116.25 117.79 3hfa h VAL 205 Ca -0.18 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3hfa h VAL 205 Cb 0.69 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3hfa h VAL 205 CO 0.28 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.91 3hfa h ALA 206 N 1.63 1.00 0.00 1.67 0.00 -1.94 -3.15 119.26 118.47 3hfa h ALA 206 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3hfa h ALA 206 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3hfa h ALA 206 CO -0.08 0.00 -0.00 -1.13 0.00 0.00 0.00 179.25 178.04 3hfa n SER 207 N -2.56 1.95 -4.25 0.00 3.41 -0.53 -4.51 113.62 107.12 3hfa n SER 207 Ca 0.03 -2.05 -0.28 0.00 -0.26 0.00 0.00 58.87 56.31 3hfa n SER 207 Cb 0.34 -0.03 -0.15 0.00 -0.26 0.00 0.00 64.21 64.10 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 -1.10 2.07 -0.20 1.04 1.43 -1.02 -0.74 118.68 120.16 3hfa s LEU 208 Ca 0.02 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.65 3hfa s LEU 208 Cb 0.02 -1.13 -0.01 0.00 0.03 0.00 0.00 46.19 45.10 3hfa s LEU 208 CO 0.00 0.25 -0.05 -0.70 0.23 0.00 0.00 176.35 176.09 3hfa s GLU 209 N -0.68 3.42 -0.01 1.70 2.12 -0.31 -4.79 118.70 120.15 3hfa s GLU 209 Ca 0.09 -0.61 0.05 0.00 0.36 0.00 0.00 54.97 54.85 3hfa s GLU 209 Cb -0.09 -2.95 -0.01 0.00 0.26 0.00 0.00 34.13 31.34 3hfa s GLU 209 CO -0.00 -0.08 -0.15 0.08 -0.54 0.00 0.00 175.26 174.56 3hfa s VAL 210 N 1.18 1.20 0.16 3.70 1.01 -1.26 -1.55 120.40 124.84 3hfa s VAL 210 Ca 0.02 -0.67 -0.20 0.00 0.00 0.00 0.00 61.98 61.13 3hfa s VAL 210 Cb -0.14 -1.00 0.05 0.00 0.00 0.00 0.00 36.38 35.28 3hfa s VAL 210 CO -0.01 0.32 0.53 0.00 0.00 0.00 0.00 175.10 175.94 3hfa s ALA 211 N -0.39 -1.23 0.09 5.51 0.00 -0.94 -1.34 121.76 123.46 3hfa s ALA 211 Ca 0.06 0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.18 3hfa s ALA 211 Cb -0.06 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 3hfa s ALA 211 CO -0.00 -0.75 -0.10 0.14 0.00 0.00 0.00 175.76 175.04 3hfa s VAL 212 N -3.80 0.91 -0.52 0.00 -7.23 -0.14 -0.57 120.40 109.04 3hfa s VAL 212 Ca 0.04 -1.60 -0.18 0.00 -1.81 0.00 0.00 61.98 58.42 3hfa s VAL 212 Cb -0.00 -1.31 0.08 0.00 0.56 0.00 0.00 36.38 35.70 3hfa s VAL 212 CO -0.09 -0.55 0.59 -0.76 -0.31 0.00 0.00 175.10 173.98 3hfa s LEU 213 N -2.39 5.30 -0.52 1.32 1.43 0.42 -1.24 118.68 123.01 3hfa s LEU 213 Ca 0.04 -1.20 -0.20 0.00 -1.03 0.00 0.00 54.13 51.74 3hfa s LEU 213 Cb -0.03 -2.34 0.06 0.00 0.03 0.00 0.00 46.19 43.91 3hfa s LEU 213 CO -0.00 -0.90 0.68 -0.62 0.23 0.00 0.00 176.35 175.74 3hfa s ASP 214 N 2.99 6.24 0.16 2.29 2.15 0.12 -2.01 116.67 128.60 3hfa s ASP 214 Ca 0.11 -0.86 0.15 0.00 0.43 0.00 0.00 52.55 52.38 3hfa s ASP 214 Cb -0.22 -2.31 0.71 0.00 -0.30 0.00 0.00 42.92 40.79 3hfa s ASP 214 CO 0.09 -0.96 1.46 0.00 -0.17 0.00 0.00 175.17 175.58 3hfa n ALA 215 N 6.39 1.30 0.75 3.66 0.00 -0.93 -1.68 120.51 129.99 3hfa n ALA 215 Ca -0.05 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.59 3hfa n ALA 215 Cb 0.45 -1.23 0.41 0.00 0.00 0.00 0.00 19.45 19.08 3hfa n ALA 215 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hfa n ASN 216 N -1.90 0.55 -4.77 0.00 2.85 -1.26 -4.42 115.26 106.31 3hfa n ASN 216 Ca 0.01 0.41 -0.37 0.00 -0.11 0.00 0.00 54.58 54.51 3hfa n ASN 216 Cb 0.10 -0.46 -0.03 0.00 1.24 0.00 0.00 39.78 40.63 3hfa n ASN 216 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 3hfa s ARG 217 N -3.08 4.07 0.05 1.20 1.81 -0.68 -4.98 118.95 117.34 3hfa s ARG 217 Ca 0.11 1.68 -0.24 0.00 -1.72 0.00 0.00 55.73 55.56 3hfa s ARG 217 Cb 0.15 -2.59 -0.17 0.00 -0.45 0.00 0.00 34.95 31.89 3hfa s ARG 217 CO 0.61 -0.26 1.56 -1.35 -0.68 0.00 0.00 175.30 175.17 3hfa h PRO 218 N 2.52 -0.03 0.00 3.54 0.11 -1.89 -3.39 132.00 132.85 3hfa h PRO 218 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hfa h PRO 218 Cb 1.23 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hfa h PRO 218 CO 0.62 0.15 0.00 -2.13 -0.21 0.00 0.00 178.00 176.43 3hfa n ARG 219 N -5.02 0.00 -2.70 1.05 0.63 -1.26 -4.34 116.66 105.01 3hfa n ARG 219 Ca -0.08 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.43 3hfa n ARG 219 Cb 0.12 -0.07 -0.03 0.00 0.45 0.00 0.00 32.46 32.93 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 -1.17 3.39 0.42 -0.14 0.52 -1.26 -4.40 118.95 116.30 3hfa s ARG 220 Ca 0.00 -0.07 0.22 0.00 -0.52 0.00 0.00 55.73 55.36 3hfa s ARG 220 Cb 0.00 -4.06 0.37 0.00 0.52 0.00 0.00 34.95 31.78 3hfa s ARG 220 CO 0.00 -1.65 1.61 0.00 0.02 0.00 0.00 175.30 175.28 3hfa h ALA 221 N 9.49 0.94 -2.42 2.13 0.00 -1.05 -3.45 119.26 124.91 3hfa h ALA 221 Ca -0.26 -0.09 -0.54 0.00 0.00 0.00 0.00 54.91 54.02 3hfa h ALA 221 Cb 1.06 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3hfa h ALA 221 CO 1.15 0.12 0.65 0.12 0.00 0.00 0.00 179.25 181.29 3hfa s PHE 222 N -3.20 3.26 -0.13 0.00 5.36 -1.26 0.10 117.98 122.12 3hfa s PHE 222 Ca 0.06 1.19 -0.09 0.00 -0.96 0.00 0.00 56.93 57.13 3hfa s PHE 222 Cb 0.06 -3.47 0.04 0.00 -0.34 0.00 0.00 43.02 39.31 3hfa s PHE 222 CO 0.67 -1.51 0.33 -0.98 -1.46 0.00 0.00 175.22 172.27 3hfa s ARG 223 N 1.62 0.33 0.39 10.12 1.70 -0.37 -4.96 118.95 127.79 3hfa s ARG 223 Ca 0.59 0.56 -0.22 0.00 -0.47 0.00 0.00 55.73 56.19 3hfa s ARG 223 Cb -0.29 0.04 -0.11 0.00 -0.57 0.00 0.00 34.95 34.03 3hfa s ARG 223 CO 0.27 -0.11 0.93 1.03 -1.08 0.00 0.00 175.30 176.34 3hfa s ARG 224 N 0.80 4.32 -0.28 3.89 0.52 -1.26 -0.97 118.95 125.97 3hfa s ARG 224 Ca -0.05 1.15 0.01 0.00 -0.52 0.00 0.00 55.73 56.32 3hfa s ARG 224 Cb -0.06 -2.37 0.06 0.00 0.52 0.00 0.00 34.95 33.09 3hfa s ARG 224 CO -0.06 0.07 -0.05 0.42 0.02 0.00 0.00 175.30 175.71 3hfa s ILE 225 N -2.00 2.56 0.24 1.52 1.01 -0.45 -4.93 121.20 119.14 3hfa s ILE 225 Ca 0.58 -1.56 0.03 0.00 0.00 0.00 0.00 60.65 59.70 3hfa s ILE 225 Cb -0.12 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.79 3hfa s ILE 225 CO 0.16 -0.10 0.03 0.42 0.00 0.00 0.00 174.94 175.46 3hfa s THR 226 N 1.16 0.87 0.00 2.92 -4.23 -1.26 -4.27 115.64 110.83 3hfa s THR 226 Ca -0.06 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 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 -0.03 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.41 3hfa n GLY 227 N -0.42 3.02 0.28 3.99 0.00 -1.26 -2.85 105.19 107.95 3hfa n GLY 227 Ca -0.04 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 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 0.81 -0.68 -0.88 1.61 4.64 -1.99 -0.97 113.55 116.08 3hfa h SER 228 Ca 0.00 0.07 0.18 0.00 -0.47 0.00 0.00 61.79 61.57 3hfa h SER 228 Cb 0.00 0.24 -0.07 0.00 -0.31 0.00 0.00 62.40 62.27 3hfa h SER 228 CO 0.00 -0.36 0.58 0.00 -0.87 0.00 0.00 176.83 176.18 3hfa h ALA 229 N 0.18 2.10 0.27 5.18 0.00 -1.96 0.92 119.26 125.94 3hfa h ALA 229 Ca 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hfa h ALA 229 Cb 0.49 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3hfa h ALA 229 CO -0.08 -0.36 -0.13 1.25 0.00 0.00 0.00 179.25 179.93 3hfa h LEU 230 N 0.48 -0.31 -0.89 0.00 5.85 -1.28 -3.02 115.31 116.14 3hfa h LEU 230 Ca 0.45 -0.20 0.13 0.00 0.84 0.00 0.00 57.88 59.10 3hfa h LEU 230 Cb 1.02 0.08 -0.14 0.00 0.37 0.00 0.00 40.66 41.99 3hfa h LEU 230 CO -0.18 0.07 -0.37 1.67 -0.34 0.00 0.00 178.44 179.29 3hfa n GLN 231 N -5.10 -0.23 -0.07 1.25 -0.06 0.15 -1.05 117.38 112.27 3hfa n GLN 231 Ca -0.09 1.37 -0.09 0.00 -2.00 0.00 0.00 57.00 56.19 3hfa n GLN 231 Cb 0.26 -2.03 -0.03 0.00 -4.06 0.00 0.00 30.24 24.37 3hfa n GLN 231 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3hfa h ALA 232 N 1.13 -0.33 -0.16 1.69 0.00 -0.97 0.20 119.26 120.82 3hfa h ALA 232 Ca 0.29 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.30 3hfa h ALA 232 Cb 0.51 0.72 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3hfa h ALA 232 CO -0.88 -0.79 0.14 -0.07 0.00 0.00 0.00 179.25 177.64 3hfa h LEU 233 N -0.34 0.00 0.00 0.00 4.07 -1.02 -3.52 115.31 114.51 3hfa h LEU 233 Ca 0.13 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.09 3hfa h LEU 233 Cb 0.56 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.30 3hfa h LEU 233 CO -0.47 0.00 0.00 0.18 -1.08 0.00 0.00 178.44 177.07