#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 0.90 -0.61 2.12 4.81 -2.05 -0.68 114.58 119.07 3hfa h GLU 10 Ca 0.00 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.02 3hfa h GLU 10 Cb 0.00 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 3hfa h GLU 10 CO 0.00 0.75 0.14 -0.56 -0.73 0.00 0.00 179.01 178.61 3hfa h GLN 11 N 0.85 0.98 -0.77 1.92 3.07 -2.05 -1.78 115.11 117.33 3hfa h GLN 11 Ca 0.21 -0.24 -0.05 0.00 0.09 0.00 0.00 58.65 58.66 3hfa h GLN 11 Cb 0.16 -0.13 -0.03 0.00 0.08 0.00 0.00 27.48 27.56 3hfa h GLN 11 CO -0.02 0.90 0.29 0.00 0.09 0.00 0.00 178.83 180.09 3hfa h ALA 12 N 1.04 1.06 -0.77 0.06 0.00 -1.93 -0.73 119.26 117.99 3hfa h ALA 12 Ca 0.19 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3hfa h ALA 12 Cb 0.37 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3hfa h ALA 12 CO 0.00 0.66 0.33 1.98 0.00 0.00 0.00 179.25 182.22 3hfa h MET 13 N 1.12 1.13 -0.00 0.00 4.05 -0.85 0.20 114.93 120.58 3hfa h MET 13 Ca 0.25 -0.19 -0.11 0.00 -0.28 0.00 0.00 59.70 59.37 3hfa h MET 13 Cb 0.23 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 3hfa h MET 13 CO -0.02 0.90 -0.53 0.00 0.23 0.00 0.00 176.91 177.50 3hfa h ARG 14 N 1.09 0.01 0.00 0.39 3.08 -0.90 -2.08 114.38 115.98 3hfa h ARG 14 Ca 0.26 -0.01 -0.19 0.00 0.07 0.00 0.00 59.98 60.11 3hfa h ARG 14 Cb 0.17 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 3hfa h ARG 14 CO -0.03 0.54 -0.96 1.49 -1.07 0.00 0.00 179.97 179.94 3hfa h GLU 15 N 0.01 0.00 0.00 0.04 4.81 -0.53 -2.72 114.58 116.18 3hfa h GLU 15 Ca -0.00 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.08 3hfa h GLU 15 Cb 0.93 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 3hfa h GLU 15 CO 0.07 0.86 -0.69 0.00 -0.73 0.00 0.00 179.01 178.52 3hfa h ARG 16 N 0.00 0.00 0.26 1.92 3.08 -0.47 -2.93 114.38 116.24 3hfa h ARG 16 Ca -0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3hfa h ARG 16 Cb 1.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.76 3hfa h ARG 16 CO 0.11 0.69 -0.12 1.03 -1.07 0.00 0.00 179.97 180.61 3hfa h SER 17 N 0.00 -0.29 -0.97 7.04 0.87 -1.37 -2.87 113.55 115.96 3hfa h SER 17 Ca -0.01 -0.23 0.06 0.00 -1.23 0.00 0.00 61.79 60.38 3hfa h SER 17 Cb 1.33 0.08 -0.07 0.00 -0.44 0.00 0.00 62.40 63.30 3hfa h SER 17 CO 0.09 0.14 0.62 -0.08 -0.53 0.00 0.00 176.83 177.06 3hfa h GLU 18 N -0.79 1.10 -0.43 2.24 4.57 -1.55 -0.00 114.58 119.71 3hfa h GLU 18 Ca -0.04 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 3hfa h GLU 18 Cb 0.51 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 3hfa h GLU 18 CO 0.06 0.72 0.22 1.25 -1.18 0.00 0.00 179.01 180.08 3hfa h LEU 19 N 1.13 0.52 0.14 1.64 6.46 -1.56 -1.08 115.31 122.56 3hfa h LEU 19 Ca 0.42 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 58.13 3hfa h LEU 19 Cb 0.16 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 39.96 3hfa h LEU 19 CO -0.17 0.44 -0.07 0.00 -0.62 0.00 0.00 178.44 178.02 3hfa h ALA 20 N 1.65 -0.19 -0.92 1.25 0.00 -0.92 -2.90 119.26 117.23 3hfa h ALA 20 Ca 0.15 -0.23 0.13 0.00 0.00 0.00 0.00 54.91 54.96 3hfa h ALA 20 Cb 0.04 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.82 3hfa h ALA 20 CO -0.02 -0.25 0.54 0.07 0.00 0.00 0.00 179.25 179.59 3hfa h ARG 21 N -0.90 0.80 -0.43 0.00 0.11 -0.95 -1.80 114.38 111.21 3hfa h ARG 21 Ca -0.02 -0.05 -0.02 0.00 0.10 0.00 0.00 59.98 59.99 3hfa h ARG 21 Cb 0.52 -0.18 -0.02 0.00 1.11 0.00 0.00 29.97 31.40 3hfa h ARG 21 CO 0.03 0.53 0.19 -0.22 0.10 0.00 0.00 179.97 180.60 3hfa h LYS 22 N 0.83 0.64 -0.06 0.08 3.64 -1.27 0.03 116.57 120.45 3hfa h LYS 22 Ca 0.47 -0.11 -0.12 0.00 -1.27 0.00 0.00 60.65 59.62 3hfa h LYS 22 Cb 0.55 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 3hfa h LYS 22 CO -0.30 0.58 -0.52 0.78 -2.27 0.00 0.00 179.45 177.72 3hfa h GLY 23 N 0.56 0.18 0.42 5.01 0.00 -1.21 -1.87 103.07 106.16 3hfa h GLY 23 Ca 0.15 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 3hfa h GLY 23 CO -0.01 0.18 -0.01 -2.22 0.00 0.00 0.00 176.54 174.47 3hfa h ILE 24 N 0.13 1.36 -0.03 2.60 2.04 -1.15 -2.78 117.51 119.68 3hfa h ILE 24 Ca 0.00 -1.30 0.01 0.00 1.00 0.00 0.00 64.86 64.57 3hfa h ILE 24 Cb 0.96 2.22 -0.00 0.00 -0.74 0.00 0.00 36.82 39.26 3hfa h ILE 24 CO 0.08 0.33 0.17 0.00 0.00 0.00 0.00 178.15 178.73 3hfa h ALA 25 N 0.31 1.26 0.00 1.87 0.00 -0.92 0.72 119.26 122.50 3hfa h ALA 25 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hfa h ALA 25 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3hfa h ALA 25 CO 0.01 -0.19 -0.07 -2.13 0.00 0.00 0.00 179.25 176.87 3hfa n ARG 26 N -3.11 0.25 -3.39 0.00 0.63 -0.71 -4.09 116.66 106.24 3hfa n ARG 26 Ca -0.02 0.19 -0.22 0.00 -0.92 0.00 0.00 57.85 56.88 3hfa n ARG 26 Cb 0.24 -1.78 -0.01 0.00 0.45 0.00 0.00 32.46 31.37 3hfa n ARG 26 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3hfa s ALA 27 N -3.10 3.84 0.52 5.13 0.00 0.25 -4.93 121.76 123.47 3hfa s ALA 27 Ca 0.10 -1.09 -0.20 0.00 0.00 0.00 0.00 51.96 50.77 3hfa s ALA 27 Cb 0.13 -1.98 -0.06 0.00 0.00 0.00 0.00 23.12 21.20 3hfa s ALA 27 CO 0.61 -0.07 1.13 0.15 0.00 0.00 0.00 175.76 177.58 3hfa s LYS 28 N -4.30 3.45 0.55 0.00 1.02 -1.26 -1.30 119.74 117.90 3hfa s LYS 28 Ca 0.42 1.64 -0.06 0.00 0.02 0.00 0.00 55.97 57.99 3hfa s LYS 28 Cb -0.10 -2.09 -0.01 0.00 -0.52 0.00 0.00 37.83 35.11 3hfa s LYS 28 CO 0.35 -0.78 0.87 -1.12 -0.92 0.00 0.00 175.35 173.74 3hfa s SER 29 N -1.69 5.86 0.03 2.83 0.01 -1.26 -4.31 113.70 115.17 3hfa s SER 29 Ca 0.71 0.82 -0.08 0.00 1.31 0.00 0.00 55.95 58.71 3hfa s SER 29 Cb -0.25 -1.93 -0.00 0.00 0.21 0.00 0.00 66.02 64.05 3hfa s SER 29 CO 0.28 -0.88 0.15 0.68 0.41 0.00 0.00 173.24 173.88 3hfa s VAL 30 N -2.91 0.11 0.01 3.43 -7.23 0.04 -3.33 120.40 110.53 3hfa s VAL 30 Ca 0.52 -0.93 0.00 0.00 -1.81 0.00 0.00 61.98 59.76 3hfa s VAL 30 Cb -0.10 -0.83 -0.01 0.00 0.56 0.00 0.00 36.38 36.00 3hfa s VAL 30 CO 0.45 -0.51 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.02 3hfa s VAL 31 N -2.38 0.12 -0.02 1.32 1.01 -0.44 -1.75 120.40 118.26 3hfa s VAL 31 Ca -0.07 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.32 3hfa s VAL 31 Cb -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 36.15 3hfa s VAL 31 CO -0.03 -0.31 -0.10 0.00 0.00 0.00 0.00 175.10 174.65 3hfa s ALA 32 N -0.96 0.96 0.00 5.51 0.00 -0.01 -1.99 121.76 125.27 3hfa s ALA 32 Ca -0.10 -0.41 -0.00 0.00 0.00 0.00 0.00 51.96 51.45 3hfa s ALA 32 Cb -0.07 -0.33 -0.00 0.00 0.00 0.00 0.00 23.12 22.73 3hfa s ALA 32 CO -0.01 0.17 0.00 -0.51 0.00 0.00 0.00 175.76 175.42 3hfa s LEU 33 N 0.08 2.00 0.28 0.00 1.02 -0.98 0.60 118.68 121.68 3hfa s LEU 33 Ca -0.02 -0.01 -0.29 0.00 0.02 0.00 0.00 54.13 53.83 3hfa s LEU 33 Cb -0.08 0.01 -0.10 0.00 0.02 0.00 0.00 46.19 46.04 3hfa s LEU 33 CO 0.00 -0.01 1.17 0.00 0.02 0.00 0.00 176.35 177.54 3hfa s ALA 34 N -0.04 3.44 0.22 4.21 0.00 0.13 -1.73 121.76 128.00 3hfa s ALA 34 Ca -0.00 1.01 0.05 0.00 0.00 0.00 0.00 51.96 53.01 3hfa s ALA 34 Cb -0.00 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 3hfa s ALA 34 CO -0.00 -0.32 0.20 2.48 0.00 0.00 0.00 175.76 178.12 3hfa n TYR 35 N 1.27 -0.58 -0.34 0.00 0.18 0.22 -4.76 117.16 113.15 3hfa n TYR 35 Ca -0.00 -1.88 0.03 0.00 1.88 0.00 0.00 57.90 57.93 3hfa n TYR 35 Cb 0.44 0.21 0.20 0.00 -0.38 0.00 0.00 39.34 39.81 3hfa n TYR 35 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3hfa h ALA 36 N 1.73 1.44 -0.38 -3.48 0.00 -0.98 -2.44 119.26 115.15 3hfa h ALA 36 Ca -0.16 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 3hfa h ALA 36 Cb 0.81 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3hfa h ALA 36 CO 0.23 0.43 -0.24 0.78 0.00 0.00 0.00 179.25 180.45 3hfa h GLY 37 N 1.13 0.91 0.00 0.00 0.00 -1.95 -3.50 103.07 99.67 3hfa h GLY 37 Ca 0.41 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3hfa h GLY 37 CO -0.15 0.78 0.00 0.61 0.00 0.00 0.00 176.54 177.78 3hfa n GLY 38 N 0.00 -0.52 3.46 4.60 0.00 -0.92 -2.83 105.19 108.99 3hfa n GLY 38 Ca -0.02 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.30 3.24 -0.08 1.61 1.01 -1.22 0.70 120.40 124.35 3hfa s VAL 39 Ca 0.00 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.38 3hfa s VAL 39 Cb 0.00 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 3hfa s VAL 39 CO 0.00 0.56 -0.16 -0.22 0.00 0.00 0.00 175.10 175.28 3hfa s LEU 40 N -0.32 2.60 -0.08 3.92 2.96 -0.70 -1.22 118.68 125.83 3hfa s LEU 40 Ca 0.03 -0.30 0.03 0.00 -0.22 0.00 0.00 54.13 53.68 3hfa s LEU 40 Cb -0.13 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 3hfa s LEU 40 CO 0.02 0.27 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.77 3hfa s PHE 41 N -0.27 2.62 -0.07 5.38 0.08 0.23 -2.33 117.98 123.62 3hfa s PHE 41 Ca 0.01 -0.61 -0.03 0.00 0.12 0.00 0.00 56.93 56.42 3hfa s PHE 41 Cb -0.13 -1.69 0.04 0.00 -0.57 0.00 0.00 43.02 40.67 3hfa s PHE 41 CO 0.03 -0.15 0.16 0.54 -0.10 0.00 0.00 175.22 175.70 3hfa s VAL 42 N -0.08 -0.04 0.07 -0.44 0.11 -0.84 -1.11 120.40 118.07 3hfa s VAL 42 Ca -0.04 0.16 -0.07 0.00 -2.93 0.00 0.00 61.98 59.10 3hfa s VAL 42 Cb -0.14 -0.26 -0.01 0.00 -1.53 0.00 0.00 36.38 34.44 3hfa s VAL 42 CO 0.04 0.07 0.15 0.00 -3.33 0.00 0.00 175.10 172.03 3hfa s ALA 43 N 1.11 -0.12 -0.29 1.54 0.00 -0.26 -1.32 121.76 122.42 3hfa s ALA 43 Ca -0.09 -0.66 -0.26 0.00 0.00 0.00 0.00 51.96 50.96 3hfa s ALA 43 Cb -0.11 0.41 0.01 0.00 0.00 0.00 0.00 23.12 23.42 3hfa s ALA 43 CO -0.06 -0.45 0.90 -1.21 0.00 0.00 0.00 175.76 174.94 3hfa s GLU 44 N -3.60 4.05 -0.28 0.00 0.41 -1.21 -2.10 118.70 115.98 3hfa s GLU 44 Ca 0.03 0.85 -0.01 0.00 -0.41 0.00 0.00 54.97 55.43 3hfa s GLU 44 Cb 0.04 -3.71 0.13 0.00 -1.78 0.00 0.00 34.13 28.81 3hfa s GLU 44 CO -0.09 -0.72 0.31 1.21 -0.49 0.00 0.00 175.26 175.48 3hfa s ASN 45 N 1.55 1.31 0.17 -0.19 3.84 -1.26 -4.90 114.94 115.46 3hfa s ASN 45 Ca 0.37 -0.54 -0.11 0.00 0.21 0.00 0.00 52.86 52.80 3hfa s ASN 45 Cb -0.14 0.64 0.05 0.00 -0.55 0.00 0.00 41.25 41.25 3hfa s ASN 45 CO 0.12 -0.37 1.63 -0.65 -2.79 0.00 0.00 177.10 175.04 3hfa h PRO 46 N 8.25 0.99 -6.78 0.43 0.11 -1.83 -2.91 132.00 130.25 3hfa h PRO 46 Ca -0.14 -0.31 -0.52 0.00 0.11 0.00 0.00 66.00 65.15 3hfa h PRO 46 Cb 1.10 -0.09 0.05 0.00 0.11 0.00 0.00 31.00 32.16 3hfa h PRO 46 CO 0.31 0.98 0.65 -1.54 -0.21 0.00 0.00 178.00 178.19 3hfa s SER 47 N -6.46 6.85 0.13 -2.05 1.04 -1.26 -4.69 113.70 107.25 3hfa s SER 47 Ca -0.12 2.54 -0.13 0.00 0.48 0.00 0.00 55.95 58.72 3hfa s SER 47 Cb 0.13 -2.63 -0.03 0.00 0.10 0.00 0.00 66.02 63.59 3hfa s SER 47 CO 0.84 -0.52 1.52 0.08 0.98 0.00 0.00 173.24 176.14 3hfa h ARG 48 N 4.37 0.81 -0.01 4.02 0.11 -1.89 -3.35 114.38 118.45 3hfa h ARG 48 Ca -0.47 -0.33 0.00 0.00 0.10 0.00 0.00 59.98 59.28 3hfa h ARG 48 Cb 1.22 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.27 3hfa h ARG 48 CO 0.72 0.96 -0.48 0.45 0.10 0.00 0.00 179.97 181.71 3hfa n SER 49 N -4.28 1.08 -4.55 0.08 2.88 -1.26 -4.92 113.62 102.65 3hfa n SER 49 Ca -0.01 -0.86 -0.35 0.00 -1.33 0.00 0.00 58.87 56.31 3hfa n SER 49 Cb 0.40 0.37 -0.11 0.00 -0.75 0.00 0.00 64.21 64.12 3hfa n SER 49 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3hfa s LEU 50 N -2.71 3.59 -0.15 2.46 1.43 -1.26 -5.09 118.68 116.96 3hfa s LEU 50 Ca 0.17 -0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 53.19 3hfa s LEU 50 Cb 0.18 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 3hfa s LEU 50 CO 0.63 0.12 -0.02 -1.10 0.23 0.00 0.00 176.35 176.21 3hfa s GLN 51 N 0.71 3.62 0.00 1.70 -0.21 -1.26 -4.85 119.66 119.36 3hfa s GLN 51 Ca 0.02 -0.48 0.24 0.00 0.02 0.00 0.00 55.36 55.16 3hfa s GLN 51 Cb -0.14 -2.93 0.27 0.00 1.00 0.00 0.00 33.01 31.21 3hfa s GLN 51 CO 0.02 0.31 1.28 1.63 -2.12 0.00 0.00 175.29 176.41 3hfa n LYS 52 N 3.34 1.63 -4.24 2.91 5.02 -1.26 -4.87 118.16 120.69 3hfa n LYS 52 Ca -0.17 -1.28 -0.21 0.00 -2.02 0.00 0.00 58.31 54.63 3hfa n LYS 52 Cb 0.53 -1.47 -0.16 0.00 -0.02 0.00 0.00 35.03 33.90 3hfa n LYS 52 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hfa s ILE 53 N -2.25 0.65 0.07 -0.18 -1.09 -1.26 -2.79 121.20 114.36 3hfa s ILE 53 Ca 0.25 -0.19 -0.06 0.00 -2.23 0.00 0.00 60.65 58.41 3hfa s ILE 53 Cb 0.19 -0.66 -0.01 0.00 -1.58 0.00 0.00 42.46 40.40 3hfa s ILE 53 CO 0.44 0.25 0.12 -0.44 -1.23 0.00 0.00 174.94 174.09 3hfa s SER 54 N 0.89 0.22 0.45 3.58 0.01 -0.96 -5.04 113.70 112.84 3hfa s SER 54 Ca -0.11 -0.72 -0.18 0.00 1.31 0.00 0.00 55.95 56.24 3hfa s SER 54 Cb -0.15 0.29 -0.09 0.00 0.21 0.00 0.00 66.02 66.28 3hfa s SER 54 CO 0.01 -0.67 0.93 -1.83 0.41 0.00 0.00 173.24 172.08 3hfa s GLU 55 N -3.72 4.07 -0.16 12.44 -1.05 -1.26 -0.94 118.70 128.09 3hfa s GLU 55 Ca 0.04 0.97 -0.09 0.00 -0.15 0.00 0.00 54.97 55.74 3hfa s GLU 55 Cb 0.05 -2.21 -0.07 0.00 -0.44 0.00 0.00 34.13 31.46 3hfa s GLU 55 CO -0.10 -0.09 -0.22 1.28 0.95 0.00 0.00 175.26 177.08 3hfa n LEU 56 N -0.99 1.26 0.00 1.83 4.77 -0.78 -4.84 117.00 118.25 3hfa n LEU 56 Ca 0.06 0.21 -0.14 0.00 -0.03 0.00 0.00 56.01 56.12 3hfa n LEU 56 Cb 0.54 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 3hfa n LEU 56 CO 0.41 0.24 0.11 0.00 -1.33 0.00 0.00 177.39 176.82 3hfa n TYR 57 N -3.81 -1.25 -0.08 -1.77 9.36 -1.04 -4.80 117.16 113.77 3hfa n TYR 57 Ca -0.30 -2.17 -0.02 0.00 3.32 0.00 0.00 57.90 58.73 3hfa n TYR 57 Cb 0.68 0.46 -0.02 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 -1.70 -0.21 -1.15 2.98 8.00 -1.26 -1.34 116.55 121.86 3hfa n ASP 58 Ca 0.02 0.83 0.08 0.00 0.71 0.00 0.00 54.79 56.43 3hfa n ASP 58 Cb 0.53 -0.28 0.28 0.00 -0.02 0.00 0.00 41.12 41.62 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 -3.32 3.27 -5.16 -1.24 5.12 -1.26 -1.66 116.66 112.41 3hfa n ARG 59 Ca 0.00 -2.63 -0.32 0.00 -1.93 0.00 0.00 57.85 52.97 3hfa n ARG 59 Cb 0.05 -1.69 -0.17 0.00 -1.16 0.00 0.00 32.46 29.50 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 -1.79 2.21 0.26 1.55 1.01 -0.45 -2.12 120.40 121.07 3hfa s VAL 60 Ca 0.41 -0.97 0.12 0.00 0.00 0.00 0.00 61.98 61.54 3hfa s VAL 60 Cb 0.27 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 3hfa s VAL 60 CO 0.19 0.56 -0.20 -0.83 0.00 0.00 0.00 175.10 174.81 3hfa s GLY 61 N 0.31 1.84 -0.05 4.51 0.00 -0.31 -1.87 107.32 111.74 3hfa s GLY 61 Ca -0.17 -1.83 0.03 0.00 0.00 0.00 0.00 44.72 42.75 3hfa s GLY 61 CO 0.08 -1.91 -0.11 -0.12 0.00 0.00 0.00 173.10 171.04 3hfa s PHE 62 N -2.39 1.29 -0.02 1.90 5.36 -0.11 -1.55 117.98 122.46 3hfa s PHE 62 Ca 0.28 -0.41 0.01 0.00 -0.96 0.00 0.00 56.93 55.85 3hfa s PHE 62 Cb -0.05 -0.94 0.02 0.00 -0.34 0.00 0.00 43.02 41.71 3hfa s PHE 62 CO 0.14 -0.20 -0.01 0.00 -1.46 0.00 0.00 175.22 173.69 3hfa s ALA 63 N 0.44 0.34 0.02 11.12 0.00 0.12 -2.27 121.76 131.52 3hfa s ALA 63 Ca -0.09 0.07 -0.02 0.00 0.00 0.00 0.00 51.96 51.91 3hfa s ALA 63 Cb -0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 3hfa s ALA 63 CO 0.02 -0.02 0.03 0.00 0.00 0.00 0.00 175.76 175.78 3hfa s ALA 64 N 0.70 -0.01 0.02 0.00 0.00 -1.12 0.18 121.76 121.53 3hfa s ALA 64 Ca -0.07 -0.47 0.05 0.00 0.00 0.00 0.00 51.96 51.46 3hfa s ALA 64 Cb -0.10 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 3hfa s ALA 64 CO -0.01 -0.19 -0.15 0.00 0.00 0.00 0.00 175.76 175.41 3hfa s ALA 65 N -1.57 1.25 0.00 0.00 0.00 0.22 -4.89 121.76 116.77 3hfa s ALA 65 Ca -0.14 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.05 3hfa s ALA 65 Cb -0.08 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.79 3hfa s ALA 65 CO -0.01 0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.43 3hfa n GLY 66 N 2.23 0.20 3.63 0.00 0.00 -1.26 -1.66 105.19 108.32 3hfa n GLY 66 Ca -0.16 -1.96 -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 3.85 0.10 1.61 2.47 -0.60 -4.93 119.74 122.24 3hfa s LYS 67 Ca 0.00 1.32 -0.26 0.00 -1.56 0.00 0.00 55.97 55.47 3hfa s LYS 67 Cb 0.00 -3.93 -0.09 0.00 -1.46 0.00 0.00 37.83 32.35 3hfa s LYS 67 CO 0.00 -1.21 1.43 0.35 0.16 0.00 0.00 175.35 176.08 3hfa h PHE 68 N 9.79 -1.30 -0.61 4.03 3.57 -1.95 -1.01 116.94 129.46 3hfa h PHE 68 Ca -0.28 0.06 0.15 0.00 3.53 0.00 0.00 57.97 61.43 3hfa h PHE 68 Cb 1.11 0.60 -0.03 0.00 2.79 0.00 0.00 35.95 40.42 3hfa h PHE 68 CO 0.90 -0.40 0.43 -2.95 -2.23 0.00 0.00 178.31 174.05 3hfa h ASN 69 N -0.38 0.13 0.03 0.41 -1.07 -1.98 0.17 115.58 112.89 3hfa h ASN 69 Ca 0.04 0.01 -0.27 0.00 0.07 0.00 0.00 56.30 56.15 3hfa h ASN 69 Cb 0.49 -0.02 0.02 0.00 -2.07 0.00 0.00 38.32 36.74 3hfa h ASN 69 CO -0.41 0.07 -1.05 -0.33 0.07 0.00 0.00 177.43 175.78 3hfa h GLU 70 N 0.14 0.69 0.03 4.14 5.08 -1.61 -2.43 114.58 120.61 3hfa h GLU 70 Ca 0.29 -0.75 -0.21 0.00 -1.00 0.00 0.00 59.36 57.69 3hfa h GLU 70 Cb 0.96 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 3hfa h GLU 70 CO -0.04 1.32 -0.99 0.27 -1.00 0.00 0.00 179.01 178.57 3hfa h PHE 71 N 0.38 0.19 -0.69 4.33 -5.15 -0.59 -2.82 116.94 112.59 3hfa h PHE 71 Ca -0.13 -0.12 -0.01 0.00 -0.20 0.00 0.00 57.97 57.51 3hfa h PHE 71 Cb 1.71 -0.01 -0.03 0.00 0.22 0.00 0.00 35.95 37.83 3hfa h PHE 71 CO 0.10 1.02 0.41 0.22 -2.00 0.00 0.00 178.31 178.07 3hfa h ASP 72 N 0.05 0.84 -0.74 -0.68 3.58 -0.78 0.31 116.42 118.99 3hfa h ASP 72 Ca -0.05 -0.07 0.03 0.00 0.42 0.00 0.00 57.03 57.37 3hfa h ASP 72 Cb 1.69 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 42.48 3hfa h ASP 72 CO 0.14 0.66 0.47 0.78 -2.88 0.00 0.00 179.24 178.41 3hfa h ASN 73 N 0.94 0.77 -0.49 2.28 2.35 -1.43 -0.95 115.58 119.05 3hfa h ASN 73 Ca 0.25 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.95 3hfa h ASN 73 Cb -0.01 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 3hfa h ASN 73 CO -0.04 0.53 0.11 -0.07 -1.65 0.00 0.00 177.43 176.31 3hfa h LEU 74 N 0.91 0.76 -0.06 1.61 3.38 -1.15 -0.76 115.31 120.00 3hfa h LEU 74 Ca 0.30 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 58.06 3hfa h LEU 74 Cb 0.02 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 3hfa h LEU 74 CO -0.11 0.80 -0.22 -0.09 0.09 0.00 0.00 178.44 178.91 3hfa h ARG 75 N 0.68 -0.30 -0.40 1.13 2.43 0.08 -1.40 114.38 116.60 3hfa h ARG 75 Ca 0.15 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.38 3hfa h ARG 75 Cb 0.34 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 3hfa h ARG 75 CO 0.00 -0.20 0.19 0.00 -1.51 0.00 0.00 179.97 178.45 3hfa h ARG 76 N -0.32 0.38 -0.46 0.20 3.08 -1.02 -1.71 114.38 114.53 3hfa h ARG 76 Ca 0.08 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.19 3hfa h ARG 76 Cb 0.43 -0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.31 3hfa h ARG 76 CO -0.24 0.25 -0.04 0.78 -1.07 0.00 0.00 179.97 179.65 3hfa h GLY 77 N 0.39 0.42 0.96 0.04 0.00 -0.79 -0.55 103.07 103.54 3hfa h GLY 77 Ca 0.17 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 3hfa h GLY 77 CO -0.13 -0.14 -0.06 -1.33 0.00 0.00 0.00 176.54 174.88 3hfa h GLY 78 N 0.07 -0.19 0.22 4.60 0.00 -0.91 0.29 103.07 107.15 3hfa h GLY 78 Ca 0.23 0.07 0.11 0.00 0.00 0.00 0.00 47.33 47.73 3hfa h GLY 78 CO -0.41 -0.07 0.12 -2.22 0.00 0.00 0.00 176.54 173.95 3hfa h ILE 79 N -0.23 0.66 -0.26 2.60 2.04 -1.00 0.82 117.51 122.13 3hfa h ILE 79 Ca -0.02 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 65.80 3hfa h ILE 79 Cb 0.18 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 3hfa h ILE 79 CO 0.03 0.05 0.03 -0.61 0.00 0.00 0.00 178.15 177.64 3hfa h GLN 80 N 0.25 0.11 -0.64 2.37 5.75 -0.83 0.29 115.11 122.41 3hfa h GLN 80 Ca 0.30 -0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.74 3hfa h GLN 80 Cb 0.44 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.93 3hfa h GLN 80 CO -0.39 0.07 0.19 0.35 -2.65 0.00 0.00 178.83 176.41 3hfa h PHE 81 N 0.12 1.01 0.15 3.99 3.57 0.20 -2.64 116.94 123.34 3hfa h PHE 81 Ca 0.12 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 3hfa h PHE 81 Cb 0.15 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.59 3hfa h PHE 81 CO -0.18 0.82 -0.07 0.00 -2.23 0.00 0.00 178.31 176.64 3hfa h ALA 82 N 1.26 -0.21 -0.80 2.41 0.00 0.10 -2.23 119.26 119.78 3hfa h ALA 82 Ca 0.21 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 55.00 3hfa h ALA 82 Cb 0.29 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 3hfa h ALA 82 CO -0.01 -0.38 0.52 -0.44 0.00 0.00 0.00 179.25 178.95 3hfa h ASP 83 N -0.68 0.66 -0.16 0.00 3.32 -0.94 -0.77 116.42 117.84 3hfa h ASP 83 Ca -0.02 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3hfa h ASP 83 Cb 0.50 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 3hfa h ASP 83 CO 0.03 0.39 -0.09 0.74 -1.72 0.00 0.00 179.24 178.59 3hfa h THR 84 N 0.73 1.32 -0.41 0.35 2.02 -1.46 -1.46 112.91 114.00 3hfa h THR 84 Ca 0.37 -1.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.37 3hfa h THR 84 Cb 0.46 1.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 3hfa h THR 84 CO -0.14 0.35 0.22 0.03 0.37 0.00 0.00 175.52 176.34 3hfa h ARG 85 N 0.02 0.57 -0.75 6.66 2.47 -0.74 0.22 114.38 122.83 3hfa h ARG 85 Ca 0.03 -0.07 0.01 0.00 -1.26 0.00 0.00 59.98 58.69 3hfa h ARG 85 Cb 0.58 -0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 28.76 3hfa h ARG 85 CO 0.03 0.47 0.49 0.78 0.56 0.00 0.00 179.97 182.30 3hfa h GLY 86 N 0.53 1.05 0.88 0.04 0.00 -1.14 0.41 103.07 104.83 3hfa h GLY 86 Ca 0.14 -0.39 -0.14 0.00 0.00 0.00 0.00 47.33 46.94 3hfa h GLY 86 CO -0.02 0.38 -0.49 -1.82 0.00 0.00 0.00 176.54 174.58 3hfa h TYR 87 N 1.01 0.70 -0.60 5.60 3.20 -1.01 -2.94 116.97 122.93 3hfa h TYR 87 Ca 0.27 -0.31 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 3hfa h TYR 87 Cb -0.11 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.02 3hfa h TYR 87 CO -0.02 1.08 0.24 0.00 -1.64 0.00 0.00 178.16 177.82 3hfa h ALA 88 N 0.48 0.78 -3.00 1.82 0.00 -0.27 -3.44 119.26 115.63 3hfa h ALA 88 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3hfa h ALA 88 Cb 1.13 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3hfa h ALA 88 CO 0.10 0.40 0.00 0.66 0.00 0.00 0.00 179.25 180.41 3hfa n TYR 89 N -4.46 0.00 -3.90 0.00 4.01 0.14 -5.08 117.16 107.88 3hfa n TYR 89 Ca 0.04 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.67 3hfa n TYR 89 Cb 0.17 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.09 3hfa n TYR 89 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 3hfa s ASP 90 N 0.24 0.06 0.41 7.72 1.47 -1.11 -4.92 116.67 120.53 3hfa s ASP 90 Ca 0.00 -0.19 0.25 0.00 1.18 0.00 0.00 52.55 53.79 3hfa s ASP 90 Cb 0.00 0.17 1.32 0.00 -0.34 0.00 0.00 42.92 44.07 3hfa s ASP 90 CO 0.00 -0.25 1.64 0.03 0.68 0.00 0.00 175.17 177.26 3hfa h ARG 91 N 4.87 0.15 0.00 2.11 3.08 -1.89 0.38 114.38 123.08 3hfa h ARG 91 Ca -0.29 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.72 3hfa h ARG 91 Cb 1.20 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.21 3hfa h ARG 91 CO 0.42 0.10 -0.13 -0.09 -1.07 0.00 0.00 179.97 179.20 3hfa h ARG 92 N 0.15 0.00 -0.18 0.04 2.43 -1.96 -2.45 114.38 112.41 3hfa h ARG 92 Ca 0.79 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 60.01 3hfa h ARG 92 Cb 2.25 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.79 3hfa h ARG 92 CO -0.49 0.13 0.21 0.22 -1.51 0.00 0.00 179.97 178.52 3hfa h ASP 93 N 0.00 0.00 -3.32 -3.80 3.58 -0.60 -3.41 116.42 108.87 3hfa h ASP 93 Ca -0.00 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.87 3hfa h ASP 93 Cb 0.37 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.35 3hfa h ASP 93 CO 0.02 0.00 0.34 -0.69 -2.88 0.00 0.00 179.24 176.02 3hfa s VAL 94 N -4.60 4.91 0.25 2.25 1.01 -0.92 -4.97 120.40 118.33 3hfa s VAL 94 Ca -0.05 1.58 -0.07 0.00 0.00 0.00 0.00 61.98 63.44 3hfa s VAL 94 Cb 0.15 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 3hfa s VAL 94 CO 0.53 0.05 0.38 0.42 0.00 0.00 0.00 175.10 176.49 3hfa s THR 95 N 2.00 0.00 -0.00 3.92 -4.23 -1.26 -4.90 115.64 111.16 3hfa s THR 95 Ca 0.37 -1.62 -0.19 0.00 -1.18 0.00 0.00 61.69 59.08 3hfa s THR 95 Cb -0.17 -2.37 -0.10 0.00 1.34 0.00 0.00 72.50 71.20 3hfa s THR 95 CO 0.13 0.00 0.87 1.23 -0.54 0.00 0.00 174.62 176.31 3hfa h GLY 96 N 2.33 -0.71 -1.22 3.99 0.00 -1.92 -2.20 103.07 103.34 3hfa h GLY 96 Ca -0.29 0.26 0.46 0.00 0.00 0.00 0.00 47.33 47.76 3hfa h GLY 96 CO 0.41 -0.26 1.02 -0.09 0.00 0.00 0.00 176.54 177.62 3hfa h ARG 97 N -1.02 0.06 0.01 4.80 2.43 -1.97 0.26 114.38 118.94 3hfa h ARG 97 Ca -0.07 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.05 3hfa h ARG 97 Cb 0.52 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3hfa h ARG 97 CO 0.11 0.04 -0.18 0.37 -1.51 0.00 0.00 179.97 178.80 3hfa h GLN 98 N 0.06 0.11 -0.22 0.20 4.15 -1.91 -2.11 115.11 115.39 3hfa h GLN 98 Ca 0.81 -0.13 -0.19 0.00 0.77 0.00 0.00 58.65 59.91 3hfa h GLN 98 Cb 2.85 0.04 0.00 0.00 0.21 0.00 0.00 27.48 30.58 3hfa h GLN 98 CO -0.23 0.92 -0.62 -0.07 -1.93 0.00 0.00 178.83 176.89 3hfa h LEU 99 N -0.64 0.85 -0.68 -2.39 3.38 -0.22 -1.30 115.31 114.30 3hfa h LEU 99 Ca -0.02 -0.49 0.02 0.00 0.09 0.00 0.00 57.88 57.48 3hfa h LEU 99 Cb 0.99 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 3hfa h LEU 99 CO 0.04 1.27 0.43 0.00 0.09 0.00 0.00 178.44 180.27 3hfa h ALA 100 N 0.74 0.89 -0.21 1.53 0.00 -0.73 -0.28 119.26 121.18 3hfa h ALA 100 Ca -0.01 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3hfa h ALA 100 Cb 1.22 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3hfa h ALA 100 CO 0.13 0.22 0.01 -0.97 0.00 0.00 0.00 179.25 178.64 3hfa h ASN 101 N 0.86 -0.06 -0.61 0.00 -1.24 -1.23 0.15 115.58 113.46 3hfa h ASN 101 Ca 0.27 0.04 -0.06 0.00 0.71 0.00 0.00 56.30 57.26 3hfa h ASN 101 Cb -0.02 0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.08 3hfa h ASN 101 CO -0.09 0.00 0.14 0.58 -1.29 0.00 0.00 177.43 176.77 3hfa h VAL 102 N 0.08 1.25 -0.26 2.57 2.07 -0.79 -1.77 116.25 119.40 3hfa h VAL 102 Ca 0.10 -0.94 -0.07 0.00 0.82 0.00 0.00 66.70 66.62 3hfa h VAL 102 Cb 0.12 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3hfa h VAL 102 CO -0.16 0.35 -0.10 1.88 0.02 0.00 0.00 177.57 179.56 3hfa h TYR 103 N 0.96 0.60 -0.91 1.57 0.05 -0.77 -1.55 116.97 116.93 3hfa h TYR 103 Ca 0.20 -0.14 0.09 0.00 0.05 0.00 0.00 58.73 58.93 3hfa h TYR 103 Cb 0.36 -0.14 -0.07 0.00 1.01 0.00 0.00 36.73 37.89 3hfa h TYR 103 CO 0.03 0.77 0.59 0.00 -1.05 0.00 0.00 178.16 178.49 3hfa h ALA 104 N 0.74 1.61 -0.52 3.88 0.00 -0.50 0.23 119.26 124.70 3hfa h ALA 104 Ca 0.06 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3hfa h ALA 104 Cb 0.60 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3hfa h ALA 104 CO 0.03 0.21 0.09 0.37 0.00 0.00 0.00 179.25 179.96 3hfa h GLN 105 N 0.92 0.85 0.22 0.00 5.75 -1.19 -1.09 115.11 120.57 3hfa h GLN 105 Ca 0.42 -0.22 -0.01 0.00 -0.15 0.00 0.00 58.65 58.68 3hfa h GLN 105 Cb 0.39 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.84 3hfa h GLN 105 CO -0.18 0.83 -0.10 1.15 -2.65 0.00 0.00 178.83 177.88 3hfa h THR 106 N 0.74 0.75 -0.82 2.39 2.02 -0.30 -1.91 112.91 115.78 3hfa h THR 106 Ca 0.16 -0.95 0.07 0.00 0.77 0.00 0.00 66.41 66.46 3hfa h THR 106 Cb 0.39 1.21 -0.06 0.00 -1.74 0.00 0.00 68.15 67.95 3hfa h THR 106 CO 0.01 0.18 0.49 -0.07 0.37 0.00 0.00 175.52 176.49 3hfa h LEU 107 N -0.85 0.75 -0.62 2.58 4.07 -0.70 0.53 115.31 121.07 3hfa h LEU 107 Ca -0.03 0.03 0.09 0.00 0.08 0.00 0.00 57.88 58.05 3hfa h LEU 107 Cb 0.51 -0.12 -0.07 0.00 1.08 0.00 0.00 40.66 42.06 3hfa h LEU 107 CO 0.05 0.46 0.26 1.23 -1.08 0.00 0.00 178.44 179.36 3hfa h GLY 108 N 0.87 0.88 0.92 0.83 0.00 -1.21 -1.05 103.07 104.32 3hfa h GLY 108 Ca 0.37 -0.15 -0.11 0.00 0.00 0.00 0.00 47.33 47.44 3hfa h GLY 108 CO -0.19 0.01 -0.26 -0.84 0.00 0.00 0.00 176.54 175.25 3hfa h THR 109 N 0.45 1.31 0.24 4.70 2.02 -0.47 -2.60 112.91 118.57 3hfa h THR 109 Ca 0.31 -1.44 0.00 0.00 0.77 0.00 0.00 66.41 66.05 3hfa h THR 109 Cb 0.35 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 3hfa h THR 109 CO -0.28 0.45 -0.21 0.40 0.37 0.00 0.00 175.52 176.24 3hfa h ILE 110 N 0.34 0.54 -0.39 3.11 2.04 -0.71 0.58 117.51 123.03 3hfa h ILE 110 Ca 0.04 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.98 3hfa h ILE 110 Cb 0.83 0.54 -0.08 0.00 -0.74 0.00 0.00 36.82 37.37 3hfa h ILE 110 CO 0.07 0.00 -0.14 0.15 0.00 0.00 0.00 178.15 178.22 3hfa h PHE 111 N -0.48 -0.34 -0.24 1.37 3.57 -1.24 0.44 116.94 120.02 3hfa h PHE 111 Ca -0.01 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.41 3hfa h PHE 111 Cb 0.43 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 3hfa h PHE 111 CO -0.14 -0.22 -0.30 1.15 -2.23 0.00 0.00 178.31 176.57 3hfa h THR 112 N -0.06 1.32 0.00 4.41 2.02 -1.26 -3.40 112.91 115.94 3hfa h THR 112 Ca 0.19 -1.49 0.00 0.00 0.77 0.00 0.00 66.41 65.88 3hfa h THR 112 Cb 0.36 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 3hfa h THR 112 CO -0.44 0.47 -1.01 -0.62 0.37 0.00 0.00 175.52 174.29 3hfa n GLU 113 N -4.30 1.82 -1.22 6.66 1.02 0.18 -5.04 120.64 119.76 3hfa n GLU 113 Ca -0.05 -0.05 -0.31 0.00 -0.02 0.00 0.00 57.16 56.73 3hfa n GLU 113 Cb 0.48 -1.09 0.10 0.00 -0.02 0.00 0.00 31.44 30.90 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 -2.31 2.13 0.08 3.49 2.00 0.15 -4.94 119.66 120.27 3hfa s GLN 114 Ca -0.01 1.19 -0.22 0.00 -2.00 0.00 0.00 55.36 54.32 3hfa s GLN 114 Cb 0.06 -1.88 -0.13 0.00 0.80 0.00 0.00 33.01 31.86 3hfa s GLN 114 CO 0.37 -1.74 1.67 0.00 -0.50 0.00 0.00 175.29 175.10 3hfa h ALA 115 N -1.20 0.10 -4.07 1.58 0.00 -1.95 -3.43 119.26 110.31 3hfa h ALA 115 Ca -0.44 -0.05 -0.50 0.00 0.00 0.00 0.00 54.91 53.93 3hfa h ALA 115 Cb 1.24 -0.03 -0.27 0.00 0.00 0.00 0.00 17.79 18.72 3hfa h ALA 115 CO 0.51 -0.36 -0.81 0.21 0.00 0.00 0.00 179.25 178.79 3hfa s LYS 116 N -5.85 1.16 0.69 0.00 2.20 -1.26 -5.14 119.74 111.54 3hfa s LYS 116 Ca -0.13 -0.66 -0.12 0.00 -0.36 0.00 0.00 55.97 54.69 3hfa s LYS 116 Cb 0.06 -1.15 0.01 0.00 -1.51 0.00 0.00 37.83 35.24 3hfa s LYS 116 CO 0.68 0.30 1.07 -1.25 -0.36 0.00 0.00 175.35 175.79 3hfa s PRO 117 N -0.71 2.81 -0.03 4.03 0.04 -1.26 -4.85 135.00 135.03 3hfa s PRO 117 Ca 0.05 1.10 -0.30 0.00 0.04 0.00 0.00 61.00 61.89 3hfa s PRO 117 Cb -0.07 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 3hfa s PRO 117 CO 0.00 -1.21 1.03 0.71 0.04 0.00 0.00 177.00 177.57 3hfa s TYR 118 N -2.83 3.56 -1.30 0.56 1.51 -1.26 -4.94 117.35 112.64 3hfa s TYR 118 Ca 0.61 1.59 -0.10 0.00 -1.01 0.00 0.00 57.07 58.16 3hfa s TYR 118 Cb -0.16 -3.19 0.15 0.00 -0.11 0.00 0.00 41.96 38.65 3hfa s TYR 118 CO 0.51 -0.30 1.90 0.39 -1.11 0.00 0.00 175.55 176.94 3hfa n GLU 119 N 4.34 3.50 -3.98 -0.62 1.02 -1.26 -4.77 120.64 118.86 3hfa n GLU 119 Ca 0.08 -3.41 -0.08 0.00 -0.02 0.00 0.00 57.16 53.72 3hfa n GLU 119 Cb 0.49 -2.99 -0.09 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 0.86 0.17 -0.03 2.62 -7.23 -1.26 -1.56 120.40 113.98 3hfa s VAL 120 Ca 0.41 -1.40 -0.00 0.00 -1.81 0.00 0.00 61.98 59.18 3hfa s VAL 120 Cb 0.10 -1.20 0.03 0.00 0.56 0.00 0.00 36.38 35.86 3hfa s VAL 120 CO -0.01 -0.77 0.02 -0.70 -0.31 0.00 0.00 175.10 173.33 3hfa s GLU 121 N -3.33 0.10 0.12 4.82 2.12 -0.66 -2.95 118.70 118.91 3hfa s GLU 121 Ca 0.01 0.16 0.07 0.00 0.36 0.00 0.00 54.97 55.57 3hfa s GLU 121 Cb 0.03 -0.37 -0.04 0.00 0.26 0.00 0.00 34.13 34.01 3hfa s GLU 121 CO -0.08 -0.17 -0.17 -0.51 -0.54 0.00 0.00 175.26 173.79 3hfa s LEU 122 N 1.16 2.36 -0.09 2.70 1.43 -0.35 -0.61 118.68 125.27 3hfa s LEU 122 Ca -0.08 -0.75 0.03 0.00 -1.03 0.00 0.00 54.13 52.30 3hfa s LEU 122 Cb -0.13 -0.72 0.01 0.00 0.03 0.00 0.00 46.19 45.38 3hfa s LEU 122 CO -0.03 -0.04 -0.18 0.00 0.23 0.00 0.00 176.35 176.33 3hfa s VAL 124 N 0.64 2.78 -0.05 0.00 0.11 -0.97 0.10 120.40 123.02 3hfa s VAL 124 Ca -0.14 -0.93 -0.00 0.00 -2.93 0.00 0.00 61.98 57.98 3hfa s VAL 124 Cb -0.16 -2.09 0.03 0.00 -1.53 0.00 0.00 36.38 32.63 3hfa s VAL 124 CO 0.04 0.52 0.00 0.00 -3.33 0.00 0.00 175.10 172.34 3hfa s ALA 125 N -0.76 0.46 -0.07 1.54 0.00 -0.60 -0.74 121.76 121.59 3hfa s ALA 125 Ca 0.12 0.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.11 3hfa s ALA 125 Cb -0.10 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 3hfa s ALA 125 CO 0.01 -0.24 0.04 -2.00 0.00 0.00 0.00 175.76 173.58 3hfa s GLU 126 N 1.46 3.08 0.18 0.00 2.12 -0.64 -1.17 118.70 123.73 3hfa s GLU 126 Ca -0.03 -0.37 0.11 0.00 0.36 0.00 0.00 54.97 55.03 3hfa s GLU 126 Cb -0.13 -2.88 -0.04 0.00 0.26 0.00 0.00 34.13 31.34 3hfa s GLU 126 CO -0.03 0.71 -0.23 0.54 -0.54 0.00 0.00 175.26 175.71 3hfa s VAL 127 N -0.98 2.42 0.50 3.70 0.11 -0.90 -1.82 120.40 123.43 3hfa s VAL 127 Ca 0.16 -1.94 -0.21 0.00 -2.93 0.00 0.00 61.98 57.05 3hfa s VAL 127 Cb -0.12 -2.15 -0.09 0.00 -1.53 0.00 0.00 36.38 32.50 3hfa s VAL 127 CO 0.05 -0.07 0.83 0.00 -3.33 0.00 0.00 175.10 172.58 3hfa n ALA 128 N 0.38 -0.34 -1.77 1.54 0.00 -1.26 -4.84 120.51 114.22 3hfa n ALA 128 Ca -0.13 0.11 -0.37 0.00 0.00 0.00 0.00 53.44 53.04 3hfa n ALA 128 Cb 0.55 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 18.01 3hfa n ALA 128 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3hfa s HIS 129 N -1.46 2.76 0.13 0.00 3.76 -1.26 -4.83 115.29 114.40 3hfa s HIS 129 Ca 0.68 1.51 -0.35 0.00 -0.15 0.00 0.00 55.06 56.75 3hfa s HIS 129 Cb -0.50 -3.44 -0.15 0.00 1.11 0.00 0.00 32.58 29.59 3hfa s HIS 129 CO 0.54 -1.74 1.44 0.98 -0.85 0.00 0.00 174.74 175.10 3hfa n TYR 130 N -0.63 1.87 -0.50 1.40 9.36 -1.26 -0.68 117.16 126.72 3hfa n TYR 130 Ca 0.08 0.47 0.00 0.00 3.32 0.00 0.00 57.90 61.77 3hfa n TYR 130 Cb 0.48 -2.43 0.00 0.00 -0.63 0.00 0.00 39.34 36.76 3hfa n TYR 130 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3hfa n GLY 131 N 2.86 0.87 3.93 2.98 0.00 -1.26 -5.06 105.19 109.52 3hfa n GLY 131 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.44 3.51 0.00 1.61 2.02 0.15 -5.01 118.70 120.53 3hfa s GLU 132 Ca 0.00 -0.38 0.20 0.00 0.02 0.00 0.00 54.97 54.81 3hfa s GLU 132 Cb 0.00 -2.84 0.47 0.00 0.10 0.00 0.00 34.13 31.87 3hfa s GLU 132 CO 0.00 0.39 1.40 2.41 0.02 0.00 0.00 175.26 179.48 3hfa n THR 133 N -0.78 0.74 -2.48 3.63 -1.04 -1.26 -4.80 114.28 108.30 3hfa n THR 133 Ca -0.05 -0.87 -0.41 0.00 -2.04 0.00 0.00 64.05 60.68 3hfa n THR 133 Cb 0.54 0.74 -0.04 0.00 -1.82 0.00 0.00 70.33 69.75 3hfa n THR 133 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3hfa s LYS 134 N -1.19 4.60 0.42 -2.82 2.47 -1.26 -5.02 119.74 116.95 3hfa s LYS 134 Ca 0.39 1.78 -0.26 0.00 -1.56 0.00 0.00 55.97 56.33 3hfa s LYS 134 Cb 0.21 -3.23 -0.08 0.00 -1.46 0.00 0.00 37.83 33.27 3hfa s LYS 134 CO 0.29 0.12 1.33 1.03 0.16 0.00 0.00 175.35 178.28 3hfa s ARG 135 N -0.88 3.88 0.74 4.03 0.52 -1.26 -4.36 118.95 121.61 3hfa s ARG 135 Ca 0.47 2.20 -0.15 0.00 -0.52 0.00 0.00 55.73 57.73 3hfa s ARG 135 Cb -0.31 -2.71 0.04 0.00 0.52 0.00 0.00 34.95 32.48 3hfa s ARG 135 CO 0.38 -0.58 1.18 -2.30 0.02 0.00 0.00 175.30 174.00 3hfa n PRO 136 N 0.01 0.57 -4.85 3.54 -0.02 -1.26 -4.82 135.00 128.16 3hfa n PRO 136 Ca 0.04 0.26 -0.33 0.00 -2.02 0.00 0.00 63.50 61.45 3hfa n PRO 136 Cb 0.43 -2.43 -0.13 0.00 -0.02 0.00 0.00 33.50 31.35 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 -3.70 2.80 -0.20 -0.52 2.02 -0.75 -4.97 118.70 113.38 3hfa s GLU 137 Ca 0.77 -0.69 0.01 0.00 0.02 0.00 0.00 54.97 55.08 3hfa s GLU 137 Cb -0.33 -2.47 0.03 0.00 0.10 0.00 0.00 34.13 31.47 3hfa s GLU 137 CO 0.47 0.49 -0.16 -0.51 0.02 0.00 0.00 175.26 175.57 3hfa s LEU 138 N -0.38 2.43 0.08 1.80 1.43 -1.21 -1.63 118.68 121.21 3hfa s LEU 138 Ca 0.04 -0.85 0.03 0.00 -1.03 0.00 0.00 54.13 52.32 3hfa s LEU 138 Cb -0.12 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 3hfa s LEU 138 CO 0.02 -0.07 0.08 -0.31 0.23 0.00 0.00 176.35 176.30 3hfa s TYR 139 N 1.28 3.19 -0.11 0.29 2.02 0.08 0.12 117.35 124.21 3hfa s TYR 139 Ca 0.01 0.07 -0.01 0.00 -0.37 0.00 0.00 57.07 56.77 3hfa s TYR 139 Cb -0.15 -1.62 0.03 0.00 -0.40 0.00 0.00 41.96 39.82 3hfa s TYR 139 CO -0.10 0.52 -0.04 0.50 -1.57 0.00 0.00 175.55 174.86 3hfa s ARG 140 N -2.40 1.14 -0.18 -0.62 3.52 0.18 -2.28 118.95 118.31 3hfa s ARG 140 Ca 0.29 -0.19 -0.06 0.00 -0.13 0.00 0.00 55.73 55.64 3hfa s ARG 140 Cb -0.12 -1.50 -0.03 0.00 -1.56 0.00 0.00 34.95 31.74 3hfa s ARG 140 CO 0.22 -0.34 0.01 0.42 -0.81 0.00 0.00 175.30 174.80 3hfa s ILE 141 N 1.80 4.29 0.36 4.11 1.09 0.51 -1.80 121.20 131.56 3hfa s ILE 141 Ca 0.04 -0.21 0.03 0.00 -1.10 0.00 0.00 60.65 59.41 3hfa s ILE 141 Cb -0.13 -2.91 -0.01 0.00 -1.06 0.00 0.00 42.46 38.34 3hfa s ILE 141 CO -0.07 0.47 0.53 0.28 -0.10 0.00 0.00 174.94 176.04 3hfa s THR 142 N 0.49 4.35 -0.57 2.92 -1.32 -0.74 -1.21 115.64 119.56 3hfa s THR 142 Ca -0.00 -0.76 0.00 0.00 -1.21 0.00 0.00 61.69 59.72 3hfa s THR 142 Cb -0.14 -3.56 0.00 0.00 -1.51 0.00 0.00 72.50 67.30 3hfa s THR 142 CO 0.02 -0.29 0.80 0.00 -2.21 0.00 0.00 174.62 172.94 3hfa n TYR 143 N -1.77 0.01 0.52 9.09 0.18 -1.15 -0.25 117.16 123.79 3hfa n TYR 143 Ca -0.02 0.00 0.06 0.00 1.88 0.00 0.00 57.90 59.83 3hfa n TYR 143 Cb 0.58 -0.30 0.03 0.00 -0.38 0.00 0.00 39.34 39.27 3hfa n TYR 143 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 3hfa n ASP 144 N -1.31 1.82 0.00 9.48 5.68 -1.26 -4.60 116.55 126.36 3hfa n ASP 144 Ca -0.00 -1.41 0.00 0.00 -0.50 0.00 0.00 54.79 52.88 3hfa n ASP 144 Cb 0.21 0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 3hfa n ASP 144 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hfa n GLY 145 N 0.79 0.47 3.77 6.12 0.00 0.65 -3.93 105.19 113.06 3hfa n GLY 145 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.60 6.60 -0.00 1.61 0.01 -1.26 -4.62 113.70 113.44 3hfa s SER 146 Ca 0.00 2.81 0.08 0.00 1.31 0.00 0.00 55.95 60.14 3hfa s SER 146 Cb 0.00 -2.65 -0.02 0.00 0.21 0.00 0.00 66.02 63.56 3hfa s SER 146 CO 0.00 -0.68 -0.24 -0.51 0.41 0.00 0.00 173.24 172.21 3hfa s ILE 147 N -0.87 1.91 -0.07 1.44 1.10 -1.26 -1.79 121.20 121.66 3hfa s ILE 147 Ca 0.53 -1.09 -0.04 0.00 -0.51 0.00 0.00 60.65 59.53 3hfa s ILE 147 Cb -0.43 -1.60 0.03 0.00 0.15 0.00 0.00 42.46 40.61 3hfa s ILE 147 CO 0.54 0.48 0.16 0.00 -2.11 0.00 0.00 174.94 174.02 3hfa s ALA 148 N -0.62 -0.36 -0.22 1.50 0.00 -0.74 -4.98 121.76 116.34 3hfa s ALA 148 Ca 0.09 0.63 -0.10 0.00 0.00 0.00 0.00 51.96 52.58 3hfa s ALA 148 Cb -0.09 -0.40 -0.05 0.00 0.00 0.00 0.00 23.12 22.58 3hfa s ALA 148 CO -0.00 -0.13 0.14 0.16 0.00 0.00 0.00 175.76 175.93 3hfa s ASP 149 N 0.73 6.18 -0.15 0.00 -4.77 -1.26 0.48 116.67 117.88 3hfa s ASP 149 Ca -0.05 0.19 -0.03 0.00 -3.30 0.00 0.00 52.55 49.35 3hfa s ASP 149 Cb -0.07 -2.10 -0.03 0.00 -1.09 0.00 0.00 42.92 39.64 3hfa s ASP 149 CO -0.04 0.13 -0.05 -1.61 0.70 0.00 0.00 175.17 174.30 3hfa s GLU 150 N 0.64 3.62 0.16 2.11 0.41 0.33 -4.98 118.70 121.00 3hfa s GLU 150 Ca 0.08 -0.55 -0.13 0.00 -0.41 0.00 0.00 54.97 53.96 3hfa s GLU 150 Cb -0.12 -2.87 0.05 0.00 -1.78 0.00 0.00 34.13 29.41 3hfa s GLU 150 CO 0.01 0.23 1.70 -1.35 -0.49 0.00 0.00 175.26 175.36 3hfa h PRO 151 N 6.71 0.83 0.00 0.39 0.11 -1.93 -3.21 132.00 134.90 3hfa h PRO 151 Ca -0.30 -0.17 -0.17 0.00 0.11 0.00 0.00 66.00 65.47 3hfa h PRO 151 Cb 1.19 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3hfa h PRO 151 CO 0.62 0.74 -1.61 0.72 -0.21 0.00 0.00 178.00 178.26 3hfa n HIS 152 N -4.48 0.00 -3.44 0.65 8.25 -1.26 -4.75 115.22 110.18 3hfa n HIS 152 Ca 0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.36 3hfa n HIS 152 Cb 0.18 -0.40 -0.03 0.00 1.12 0.00 0.00 29.99 30.87 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 -2.20 -0.55 -0.04 4.41 -0.12 -1.26 0.22 117.98 118.43 3hfa s PHE 153 Ca -0.15 0.47 0.02 0.00 -0.05 0.00 0.00 56.93 57.22 3hfa s PHE 153 Cb 0.05 0.53 0.01 0.00 -0.63 0.00 0.00 43.02 42.98 3hfa s PHE 153 CO 0.21 -0.79 -0.09 0.14 -0.05 0.00 0.00 175.22 174.65 3hfa s VAL 154 N -3.23 0.81 -0.23 -2.49 -7.23 0.20 -4.83 120.40 103.40 3hfa s VAL 154 Ca -0.01 -0.32 0.02 0.00 -1.81 0.00 0.00 61.98 59.86 3hfa s VAL 154 Cb -0.01 -0.76 0.05 0.00 0.56 0.00 0.00 36.38 36.22 3hfa s VAL 154 CO -0.09 0.27 -0.12 0.54 -0.31 0.00 0.00 175.10 175.39 3hfa s VAL 155 N 0.59 1.98 0.16 1.32 0.11 -1.26 -0.83 120.40 122.46 3hfa s VAL 155 Ca -0.10 -1.31 0.09 0.00 -2.93 0.00 0.00 61.98 57.73 3hfa s VAL 155 Cb -0.13 -2.02 -0.04 0.00 -1.53 0.00 0.00 36.38 32.66 3hfa s VAL 155 CO 0.01 0.14 -0.19 -0.04 -3.33 0.00 0.00 175.10 171.69 3hfa s MET 156 N 1.23 1.28 0.27 1.54 -1.94 -0.72 -4.95 119.30 116.02 3hfa s MET 156 Ca -0.04 -1.39 0.00 0.00 -1.71 0.00 0.00 55.69 52.55 3hfa s MET 156 Cb -0.17 -1.39 0.00 0.00 2.01 0.00 0.00 34.83 35.28 3hfa s MET 156 CO -0.08 0.29 0.00 0.41 -0.01 0.00 0.00 175.02 175.63 3hfa n GLY 157 N 0.39 -3.33 7.00 -0.03 0.00 -1.26 -0.78 105.19 107.18 3hfa n GLY 157 Ca -0.14 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.16 0.62 3.41 -0.02 0.00 -0.42 -4.11 105.19 102.52 3hfa n GLY 158 Ca -0.01 -0.76 -0.45 0.00 0.00 0.00 0.00 46.02 44.81 3hfa n GLY 158 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hfa s THR 159 N 0.00 5.02 0.21 2.61 -1.32 -1.26 -4.46 115.64 116.44 3hfa s THR 159 Ca 0.00 -1.86 -0.08 0.00 -1.21 0.00 0.00 61.69 58.54 3hfa s THR 159 Cb 0.00 -4.67 0.15 0.00 -1.51 0.00 0.00 72.50 66.47 3hfa s THR 159 CO 0.00 -1.35 1.77 0.71 -2.21 0.00 0.00 174.62 173.55 3hfa h THR 160 N 5.49 1.26 -0.72 5.08 1.35 -1.93 -3.34 112.91 120.09 3hfa h THR 160 Ca 0.14 -0.85 0.12 0.00 -0.55 0.00 0.00 66.41 65.27 3hfa h THR 160 Cb 1.03 0.33 -0.13 0.00 -1.73 0.00 0.00 68.15 67.65 3hfa h THR 160 CO 0.99 0.34 -0.34 -0.33 -0.25 0.00 0.00 175.52 175.94 3hfa h GLU 161 N 1.16 -0.10 -0.53 4.72 4.39 -1.95 0.46 114.58 122.73 3hfa h GLU 161 Ca 0.26 0.01 0.03 0.00 0.34 0.00 0.00 59.36 60.00 3hfa h GLU 161 Cb 0.24 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 3hfa h GLU 161 CO -0.02 -0.07 0.30 -1.00 -1.16 0.00 0.00 179.01 177.06 3hfa h PRO 162 N -0.10 0.57 -0.21 2.33 0.13 -1.82 -0.54 132.00 132.36 3hfa h PRO 162 Ca 0.28 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.35 3hfa h PRO 162 Cb 0.57 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 3hfa h PRO 162 CO -0.78 0.38 0.03 0.82 -0.23 0.00 0.00 178.00 178.22 3hfa h ILE 163 N 0.59 1.22 0.00 -3.56 2.04 -1.13 -2.18 117.51 114.49 3hfa h ILE 163 Ca 0.22 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.34 3hfa h ILE 163 Cb 0.07 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3hfa h ILE 163 CO -0.12 0.23 0.00 0.00 0.00 0.00 0.00 178.15 178.26 3hfa n ALA 164 N -2.30 1.83 -0.05 1.87 0.00 0.14 -2.48 120.51 119.52 3hfa n ALA 164 Ca -0.04 -0.07 -0.18 0.00 0.00 0.00 0.00 53.44 53.15 3hfa n ALA 164 Cb 0.19 -1.20 -0.13 0.00 0.00 0.00 0.00 19.45 18.31 3hfa n ALA 164 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hfa n ASN 165 N -1.17 1.82 -0.26 0.00 3.02 -0.24 -1.79 115.26 116.65 3hfa n ASN 165 Ca 0.07 0.09 -0.06 0.00 -0.03 0.00 0.00 54.58 54.66 3hfa n ASN 165 Cb 0.07 -0.51 0.05 0.00 -0.61 0.00 0.00 39.78 38.78 3hfa n ASN 165 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hfa h ALA 166 N 0.19 0.91 -0.16 5.41 0.00 -1.19 -1.25 119.26 123.18 3hfa h ALA 166 Ca -0.47 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.18 3hfa h ALA 166 Cb 2.00 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.51 3hfa h ALA 166 CO 0.02 0.44 -0.41 -0.07 0.00 0.00 0.00 179.25 179.24 3hfa h LEU 167 N 0.98 0.63 -2.70 0.00 3.38 -1.68 0.14 115.31 116.07 3hfa h LEU 167 Ca 0.25 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3hfa h LEU 167 Cb 0.07 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3hfa h LEU 167 CO -0.04 1.10 0.00 0.50 0.09 0.00 0.00 178.44 180.09 3hfa h LYS 168 N 0.20 0.00 0.00 1.13 1.63 -0.88 -1.21 116.57 117.44 3hfa h LYS 168 Ca -0.01 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 3hfa h LYS 168 Cb 1.02 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.65 3hfa h LYS 168 CO 0.09 0.00 -1.12 -1.91 -3.45 0.00 0.00 179.45 173.06 3hfa n GLU 169 N -2.99 2.00 -0.00 1.90 0.00 -0.51 -4.72 120.64 116.31 3hfa n GLU 169 Ca -0.02 -0.01 0.10 0.00 0.00 0.00 0.00 57.16 57.23 3hfa n GLU 169 Cb 0.09 -1.05 -0.13 0.00 0.00 0.00 0.00 31.44 30.35 3hfa n GLU 169 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3hfa n SER 170 N -1.84 0.80 -4.77 4.31 2.88 0.49 -5.01 113.62 110.49 3hfa n SER 170 Ca -0.02 -0.80 -0.39 0.00 -1.33 0.00 0.00 58.87 56.33 3hfa n SER 170 Cb 0.33 1.20 -0.02 0.00 -0.75 0.00 0.00 64.21 64.96 3hfa n SER 170 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 3hfa s TYR 171 N -3.08 3.17 -0.04 0.66 5.04 -0.47 -5.00 117.35 117.62 3hfa s TYR 171 Ca 0.05 1.55 0.06 0.00 -2.44 0.00 0.00 57.07 56.29 3hfa s TYR 171 Cb 0.15 -3.44 -0.01 0.00 0.35 0.00 0.00 41.96 39.02 3hfa s TYR 171 CO 0.87 -1.29 -0.22 0.00 -1.34 0.00 0.00 175.55 173.57 3hfa s ALA 172 N -1.30 1.88 0.24 3.97 0.00 -1.26 -5.04 121.76 120.25 3hfa s ALA 172 Ca 0.53 -0.91 -0.07 0.00 0.00 0.00 0.00 51.96 51.50 3hfa s ALA 172 Cb -0.33 -0.57 0.22 0.00 0.00 0.00 0.00 23.12 22.44 3hfa s ALA 172 CO 0.42 0.38 1.89 1.49 0.00 0.00 0.00 175.76 179.94 3hfa h GLU 173 N 6.01 1.25 -2.12 0.00 4.81 -1.96 -3.29 114.58 119.28 3hfa h GLU 173 Ca -0.34 -0.11 -0.58 0.00 -0.13 0.00 0.00 59.36 58.21 3hfa h GLU 173 Cb 1.17 -0.26 -0.41 0.00 0.63 0.00 0.00 28.75 29.87 3hfa h GLU 173 CO 0.47 0.87 -0.82 0.09 -0.73 0.00 0.00 179.01 178.89 3hfa n ASN 174 N -4.38 2.36 -4.86 1.04 3.02 -1.26 -4.60 115.26 106.57 3hfa n ASN 174 Ca 0.10 -3.17 -0.31 0.00 -0.03 0.00 0.00 54.58 51.17 3hfa n ASN 174 Cb 0.05 -0.65 0.02 0.00 -0.61 0.00 0.00 39.78 38.60 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 -2.11 2.98 0.68 5.41 0.00 -1.24 -4.49 121.76 122.99 3hfa s ALA 175 Ca 0.39 -0.11 -0.11 0.00 0.00 0.00 0.00 51.96 52.13 3hfa s ALA 175 Cb 0.18 -3.09 -0.00 0.00 0.00 0.00 0.00 23.12 20.22 3hfa s ALA 175 CO -0.06 -0.88 1.06 0.45 0.00 0.00 0.00 175.76 176.33 3hfa s SER 176 N -4.14 5.50 0.18 0.00 0.15 -1.26 -0.44 113.70 113.69 3hfa s SER 176 Ca 0.56 1.62 -0.12 0.00 0.70 0.00 0.00 55.95 58.71 3hfa s SER 176 Cb -0.12 -2.50 0.09 0.00 -1.71 0.00 0.00 66.02 61.79 3hfa s SER 176 CO 0.54 -1.36 1.78 0.25 1.20 0.00 0.00 173.24 175.65 3hfa h LEU 177 N -0.55 0.80 -0.32 3.45 5.85 -1.98 0.22 115.31 122.78 3hfa h LEU 177 Ca -0.44 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.16 3hfa h LEU 177 Cb 1.21 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 3hfa h LEU 177 CO 0.57 0.68 0.18 0.74 -0.34 0.00 0.00 178.44 180.27 3hfa h THR 178 N 0.86 1.13 -0.75 1.05 2.02 -1.95 -1.93 112.91 113.34 3hfa h THR 178 Ca 0.22 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 67.01 3hfa h THR 178 Cb 0.07 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 3hfa h THR 178 CO -0.03 0.13 0.26 0.44 0.37 0.00 0.00 175.52 176.69 3hfa h ASP 179 N 0.41 1.07 -0.24 4.18 3.32 -1.86 -2.86 116.42 120.44 3hfa h ASP 179 Ca 0.11 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3hfa h ASP 179 Cb 0.05 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 3hfa h ASP 179 CO -0.02 0.98 0.12 0.00 -1.72 0.00 0.00 179.24 178.60 3hfa h ALA 180 N 1.17 0.31 -0.57 3.45 0.00 -0.33 -1.64 119.26 121.64 3hfa h ALA 180 Ca 0.25 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3hfa h ALA 180 Cb 0.27 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3hfa h ALA 180 CO -0.01 -0.14 0.38 1.25 0.00 0.00 0.00 179.25 180.72 3hfa h LEU 181 N 0.27 0.65 0.44 0.00 6.46 -1.23 0.11 115.31 122.00 3hfa h LEU 181 Ca 0.08 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 3hfa h LEU 181 Cb 0.09 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 39.86 3hfa h LEU 181 CO -0.01 0.47 -0.28 -0.09 -0.62 0.00 0.00 178.44 177.91 3hfa h ARG 182 N 0.77 -0.66 -1.00 1.25 2.43 -1.41 -1.09 114.38 114.66 3hfa h ARG 182 Ca 0.21 0.05 0.18 0.00 -0.81 0.00 0.00 59.98 59.61 3hfa h ARG 182 Cb -0.08 0.15 -0.10 0.00 -0.42 0.00 0.00 29.97 29.52 3hfa h ARG 182 CO -0.05 -0.44 0.62 0.82 -1.51 0.00 0.00 179.97 179.40 3hfa h ILE 183 N -0.69 0.74 0.16 1.20 2.04 -0.95 -1.07 117.51 118.96 3hfa h ILE 183 Ca -0.05 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 3hfa h ILE 183 Cb 0.57 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 3hfa h ILE 183 CO 0.04 0.15 -0.08 0.00 0.00 0.00 0.00 178.15 178.26 3hfa h ALA 184 N 1.63 -0.22 -0.07 1.87 0.00 -0.38 -2.90 119.26 119.20 3hfa h ALA 184 Ca 0.56 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 3hfa h ALA 184 Cb 0.83 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3hfa h ALA 184 CO -0.36 -0.41 -0.09 0.28 0.00 0.00 0.00 179.25 178.68 3hfa h VAL 185 N -0.65 1.11 0.33 0.00 2.07 -0.99 -1.80 116.25 116.32 3hfa h VAL 185 Ca -0.02 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 3hfa h VAL 185 Cb 0.48 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 3hfa h VAL 185 CO 0.04 0.14 -0.47 0.00 0.02 0.00 0.00 177.57 177.30 3hfa h ALA 186 N 1.82 -1.06 -0.98 1.67 0.00 -1.12 0.52 119.26 120.10 3hfa h ALA 186 Ca 0.02 -0.15 0.18 0.00 0.00 0.00 0.00 54.91 54.97 3hfa h ALA 186 Cb 0.22 0.75 -0.09 0.00 0.00 0.00 0.00 17.79 18.67 3hfa h ALA 186 CO 0.01 -1.12 0.61 0.00 0.00 0.00 0.00 179.25 178.76 3hfa h ALA 187 N -0.87 1.79 -0.82 0.00 0.00 -1.29 -1.17 119.26 116.90 3hfa h ALA 187 Ca -0.04 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3hfa h ALA 187 Cb 0.75 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3hfa h ALA 187 CO -0.13 -0.13 0.35 1.25 0.00 0.00 0.00 179.25 180.59 3hfa h LEU 188 N 0.71 1.11 -0.21 0.00 6.46 -0.53 -2.48 115.31 120.38 3hfa h LEU 188 Ca 0.54 -0.16 0.05 0.00 -0.12 0.00 0.00 57.88 58.19 3hfa h LEU 188 Cb 0.92 -0.29 -0.05 0.00 -0.73 0.00 0.00 40.66 40.51 3hfa h LEU 188 CO -0.32 0.97 -0.13 -0.09 -0.62 0.00 0.00 178.44 178.25 3hfa h ARG 189 N 1.19 -0.11 -0.24 1.25 9.65 0.37 -3.48 114.38 123.00 3hfa h ARG 189 Ca 0.28 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.16 3hfa h ARG 189 Cb 0.19 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.79 3hfa h ARG 189 CO -0.03 -0.08 0.00 0.00 2.80 0.00 0.00 179.97 182.67 3hfa n ALA 190 N -2.58 0.13 0.00 2.80 0.00 -0.93 -5.05 120.51 114.87 3hfa n ALA 190 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3hfa n ALA 190 Cb 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 0.17 0.00 0.00 0.00 4.32 -1.26 -3.78 117.00 116.45 3hfa n LEU 203 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 55.97 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 0.05 0.61 -1.22 0.00 0.00 177.39 176.83 3hfa n GLY 204 N 0.00 1.03 0.33 -0.72 0.00 -1.26 -4.94 105.19 99.63 3hfa n GLY 204 Ca 0.00 -2.00 0.02 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.31 1.02 0.00 1.61 2.07 -1.95 -1.70 116.25 117.00 3hfa h VAL 205 Ca -0.03 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3hfa h VAL 205 Cb 0.12 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.84 3hfa h VAL 205 CO 0.04 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.81 3hfa n ALA 206 N -2.36 1.16 -2.68 1.67 0.00 -1.26 -2.98 120.51 114.07 3hfa n ALA 206 Ca 0.14 0.19 -0.18 0.00 0.00 0.00 0.00 53.44 53.58 3hfa n ALA 206 Cb 0.21 -1.34 0.01 0.00 0.00 0.00 0.00 19.45 18.33 3hfa n ALA 206 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hfa n SER 207 N -2.28 2.79 -3.53 0.00 3.41 -0.64 -4.67 113.62 108.70 3hfa n SER 207 Ca -0.01 -3.18 -0.14 0.00 -0.26 0.00 0.00 58.87 55.28 3hfa n SER 207 Cb 0.07 -0.52 -0.05 0.00 -0.26 0.00 0.00 64.21 63.46 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 -3.22 -0.29 -0.08 1.04 1.43 -1.10 -3.99 118.68 112.46 3hfa s LEU 208 Ca 0.38 0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.71 3hfa s LEU 208 Cb 0.41 2.31 0.03 0.00 0.03 0.00 0.00 46.19 48.97 3hfa s LEU 208 CO -0.07 -0.75 -0.01 -1.61 0.23 0.00 0.00 176.35 174.14 3hfa s GLU 209 N -2.49 0.72 0.13 1.70 2.02 -0.89 -4.72 118.70 115.17 3hfa s GLU 209 Ca -0.05 0.04 0.07 0.00 0.02 0.00 0.00 54.97 55.05 3hfa s GLU 209 Cb -0.01 -1.09 -0.04 0.00 0.10 0.00 0.00 34.13 33.09 3hfa s GLU 209 CO -0.02 -0.31 -0.17 0.08 0.02 0.00 0.00 175.26 174.86 3hfa s VAL 210 N 1.94 1.57 -0.00 2.63 1.01 -1.26 -1.10 120.40 125.18 3hfa s VAL 210 Ca 0.05 -1.75 -0.30 0.00 0.00 0.00 0.00 61.98 59.98 3hfa s VAL 210 Cb -0.12 -1.64 0.11 0.00 0.00 0.00 0.00 36.38 34.73 3hfa s VAL 210 CO -0.06 -0.32 1.19 0.00 0.00 0.00 0.00 175.10 175.91 3hfa s ALA 211 N -1.93 -2.07 0.19 5.51 0.00 -0.26 -3.02 121.76 120.17 3hfa s ALA 211 Ca 0.11 0.72 -0.05 0.00 0.00 0.00 0.00 51.96 52.73 3hfa s ALA 211 Cb -0.06 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 3hfa s ALA 211 CO 0.05 -0.97 0.21 0.14 0.00 0.00 0.00 175.76 175.19 3hfa s VAL 212 N -2.64 0.03 -0.48 0.00 -7.23 -0.65 0.74 120.40 110.17 3hfa s VAL 212 Ca 0.13 -1.75 -0.03 0.00 -1.81 0.00 0.00 61.98 58.51 3hfa s VAL 212 Cb 0.02 -2.23 0.13 0.00 0.56 0.00 0.00 36.38 34.86 3hfa s VAL 212 CO -0.03 -0.15 0.28 -0.76 -0.31 0.00 0.00 175.10 174.14 3hfa s LEU 213 N -3.07 5.28 -0.37 1.32 1.43 -0.36 -1.60 118.68 121.30 3hfa s LEU 213 Ca 0.29 -2.27 -0.29 0.00 -1.03 0.00 0.00 54.13 50.83 3hfa s LEU 213 Cb 0.05 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.44 3hfa s LEU 213 CO 0.07 -0.50 1.16 -0.62 0.23 0.00 0.00 176.35 176.69 3hfa s ASP 214 N 1.54 6.75 0.61 2.29 2.15 -0.70 -3.42 116.67 125.89 3hfa s ASP 214 Ca 0.11 0.90 0.34 0.00 0.43 0.00 0.00 52.55 54.32 3hfa s ASP 214 Cb -0.22 -2.54 1.97 0.00 -0.30 0.00 0.00 42.92 41.82 3hfa s ASP 214 CO -0.04 -1.07 2.27 0.00 -0.17 0.00 0.00 175.17 176.16 3hfa h ALA 215 N 8.84 1.33 0.02 3.66 0.00 -1.84 -2.57 119.26 128.71 3hfa h ALA 215 Ca -0.23 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.46 3hfa h ALA 215 Cb 1.07 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3hfa h ALA 215 CO 1.07 0.02 -0.96 -0.91 0.00 0.00 0.00 179.25 178.46 3hfa h ASN 216 N 0.00 0.19 -2.52 0.00 2.35 -1.90 -3.40 115.58 110.31 3hfa h ASN 216 Ca -0.00 -0.18 -0.59 0.00 -0.55 0.00 0.00 56.30 54.99 3hfa h ASN 216 Cb 0.04 -0.06 0.07 0.00 0.05 0.00 0.00 38.32 38.43 3hfa h ASN 216 CO 0.00 1.04 0.65 0.54 -1.65 0.00 0.00 177.43 178.01 3hfa n ARG 217 N -3.55 2.01 0.00 0.81 1.74 -0.97 -4.93 116.66 111.78 3hfa n ARG 217 Ca -0.03 0.72 -0.12 0.00 -0.77 0.00 0.00 57.85 57.65 3hfa n ARG 217 Cb 0.87 -2.40 -0.08 0.00 -1.02 0.00 0.00 32.46 29.83 3hfa n ARG 217 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3hfa h PRO 218 N 4.66 0.04 0.00 5.56 0.13 -1.88 -3.43 132.00 137.08 3hfa h PRO 218 Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3hfa h PRO 218 Cb 1.27 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3hfa h PRO 218 CO 0.79 0.25 0.00 -2.13 -0.23 0.00 0.00 178.00 176.69 3hfa n ARG 219 N -4.95 0.00 -2.56 0.86 0.63 -1.26 -4.48 116.66 104.89 3hfa n ARG 219 Ca -0.07 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.45 3hfa n ARG 219 Cb 0.14 -0.10 -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 -0.89 3.29 0.21 -0.14 0.52 -1.26 -4.32 118.95 116.37 3hfa s ARG 220 Ca 0.00 -0.49 -0.06 0.00 -0.52 0.00 0.00 55.73 54.65 3hfa s ARG 220 Cb 0.00 -4.49 0.17 0.00 0.52 0.00 0.00 34.95 31.15 3hfa s ARG 220 CO 0.00 -2.15 1.68 0.00 0.02 0.00 0.00 175.30 174.84 3hfa h ALA 221 N 9.95 0.92 -2.14 2.13 0.00 -1.55 -3.45 119.26 125.13 3hfa h ALA 221 Ca -0.15 -0.30 -0.56 0.00 0.00 0.00 0.00 54.91 53.89 3hfa h ALA 221 Cb 1.04 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3hfa h ALA 221 CO 1.31 0.64 1.28 0.12 0.00 0.00 0.00 179.25 182.60 3hfa s PHE 222 N -4.97 1.52 -0.03 0.00 5.36 -1.25 -1.71 117.98 116.89 3hfa s PHE 222 Ca -0.11 0.18 0.00 0.00 -0.96 0.00 0.00 56.93 56.05 3hfa s PHE 222 Cb 0.14 -4.06 0.03 0.00 -0.34 0.00 0.00 43.02 38.79 3hfa s PHE 222 CO 0.84 -4.25 0.00 -0.98 -1.46 0.00 0.00 175.22 169.37 3hfa s ARG 223 N 5.11 0.27 -0.33 10.12 1.70 -0.63 -5.00 118.95 130.20 3hfa s ARG 223 Ca 0.87 0.08 -0.12 0.00 -0.47 0.00 0.00 55.73 56.08 3hfa s ARG 223 Cb -0.34 -0.45 -0.02 0.00 -0.57 0.00 0.00 34.95 33.56 3hfa s ARG 223 CO 0.35 -0.13 0.23 -0.98 -1.08 0.00 0.00 175.30 173.69 3hfa s ARG 224 N 0.98 3.56 -0.09 3.89 1.70 -1.26 -1.64 118.95 126.09 3hfa s ARG 224 Ca -0.10 -0.60 -0.30 0.00 -0.47 0.00 0.00 55.73 54.27 3hfa s ARG 224 Cb -0.13 -3.77 -0.03 0.00 -0.57 0.00 0.00 34.95 30.45 3hfa s ARG 224 CO -0.02 -0.40 1.24 0.96 -1.08 0.00 0.00 175.30 176.00 3hfa s ILE 225 N 1.72 4.23 -0.03 4.99 -4.36 -1.17 -4.97 121.20 121.62 3hfa s ILE 225 Ca 0.06 1.53 -0.02 0.00 -0.26 0.00 0.00 60.65 61.97 3hfa s ILE 225 Cb -0.17 -3.99 0.01 0.00 1.25 0.00 0.00 42.46 39.56 3hfa s ILE 225 CO 0.10 -0.05 0.06 0.28 0.24 0.00 0.00 174.94 175.58 3hfa s THR 226 N 2.68 -0.01 0.00 8.37 -1.32 -1.26 -4.35 115.64 119.75 3hfa s THR 226 Ca 0.56 0.05 0.00 0.00 -1.21 0.00 0.00 61.69 61.09 3hfa s THR 226 Cb -0.24 -0.10 0.00 0.00 -1.51 0.00 0.00 72.50 70.65 3hfa s THR 226 CO 0.20 0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.24 3hfa n GLY 227 N 3.35 0.01 0.30 6.08 0.00 -1.26 -4.00 105.19 109.67 3hfa n GLY 227 Ca -0.16 -1.20 0.02 0.00 0.00 0.00 0.00 46.02 44.68 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 6.56 0.63 -1.00 1.61 4.64 -1.99 0.14 113.55 124.14 3hfa h SER 228 Ca 0.00 0.05 0.02 0.00 -0.47 0.00 0.00 61.79 61.39 3hfa h SER 228 Cb 0.00 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 61.97 3hfa h SER 228 CO 0.00 0.36 0.66 0.00 -0.87 0.00 0.00 176.83 176.98 3hfa h ALA 229 N 1.44 1.32 0.71 5.18 0.00 -2.00 0.36 119.26 126.27 3hfa h ALA 229 Ca 0.38 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 3hfa h ALA 229 Cb 0.35 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3hfa h ALA 229 CO -0.25 0.61 -0.39 1.25 0.00 0.00 0.00 179.25 180.47 3hfa h LEU 230 N 1.31 -0.97 -0.99 0.00 6.46 -1.23 -2.99 115.31 116.90 3hfa h LEU 230 Ca 0.38 0.05 0.21 0.00 -0.12 0.00 0.00 57.88 58.39 3hfa h LEU 230 Cb -0.09 0.27 -0.11 0.00 -0.73 0.00 0.00 40.66 40.00 3hfa h LEU 230 CO -0.10 -0.63 0.59 -0.61 -0.62 0.00 0.00 178.44 177.07 3hfa h GLN 231 N -1.02 0.67 -0.89 1.25 4.15 -0.48 -1.37 115.11 117.41 3hfa h GLN 231 Ca -0.10 -0.04 0.21 0.00 0.77 0.00 0.00 58.65 59.50 3hfa h GLN 231 Cb 0.80 -0.15 -0.06 0.00 0.21 0.00 0.00 27.48 28.28 3hfa h GLN 231 CO 0.12 0.44 0.60 0.00 -1.93 0.00 0.00 178.83 178.06 3hfa h ALA 232 N 1.67 2.33 0.00 3.38 0.00 -0.15 -0.36 119.26 126.13 3hfa h ALA 232 Ca 0.59 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.51 3hfa h ALA 232 Cb 0.99 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3hfa h ALA 232 CO -0.42 -0.61 0.00 -0.11 0.00 0.00 0.00 179.25 178.11 3hfa n LEU 233 N -4.47 0.00 0.00 0.00 7.94 -0.51 -5.11 117.00 114.85 3hfa n LEU 233 Ca 0.19 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 55.10 3hfa n LEU 233 Cb 0.75 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.75 3hfa n LEU 233 CO 0.32 0.00 0.30 0.00 -1.11 0.00 0.00 177.39 176.90