#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfa h GLU 10 N 0.00 1.22 -0.72 3.17 4.81 -2.05 -1.87 114.58 119.14 3hfa h GLU 10 Ca 0.00 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 58.96 3hfa h GLU 10 Cb 0.00 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.14 3hfa h GLU 10 CO 0.00 0.96 0.19 0.37 -0.73 0.00 0.00 179.01 179.80 3hfa h GLN 11 N 1.20 1.14 -0.65 1.92 5.75 -2.05 -2.48 115.11 119.93 3hfa h GLN 11 Ca 0.28 -0.27 -0.03 0.00 -0.15 0.00 0.00 58.65 58.49 3hfa h GLN 11 Cb 0.17 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 3hfa h GLN 11 CO -0.03 1.00 0.31 0.00 -2.65 0.00 0.00 178.83 177.46 3hfa h ALA 12 N 1.11 0.84 -0.58 3.38 0.00 -1.83 0.47 119.26 122.65 3hfa h ALA 12 Ca 0.23 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3hfa h ALA 12 Cb 0.36 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3hfa h ALA 12 CO -0.00 0.41 0.11 0.52 0.00 0.00 0.00 179.25 180.29 3hfa h MET 13 N 0.90 0.92 -0.81 0.00 2.86 -1.32 -1.21 114.93 116.27 3hfa h MET 13 Ca 0.22 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 3hfa h MET 13 Cb 0.13 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 3hfa h MET 13 CO -0.03 0.85 0.38 -0.09 1.06 0.00 0.00 176.91 179.08 3hfa h ARG 14 N 0.88 1.18 -0.16 1.72 2.43 -0.88 -1.78 114.38 117.76 3hfa h ARG 14 Ca 0.18 -0.18 -0.21 0.00 -0.81 0.00 0.00 59.98 58.97 3hfa h ARG 14 Cb 0.36 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3hfa h ARG 14 CO 0.01 0.92 -0.73 0.93 -1.51 0.00 0.00 179.97 179.59 3hfa h GLU 15 N 1.16 0.71 -0.39 0.20 5.08 -0.60 -2.50 114.58 118.24 3hfa h GLU 15 Ca 0.28 -0.56 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 3hfa h GLU 15 Cb 0.14 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3hfa h GLU 15 CO -0.03 1.17 0.18 0.00 -1.00 0.00 0.00 179.01 179.33 3hfa h ARG 16 N 0.50 0.57 0.00 2.33 3.08 -1.09 0.08 114.38 119.85 3hfa h ARG 16 Ca -0.04 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 3hfa h ARG 16 Cb 1.34 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.28 3hfa h ARG 16 CO 0.15 0.51 -0.10 1.03 -1.07 0.00 0.00 179.97 180.48 3hfa h SER 17 N 0.49 0.00 0.34 7.04 0.87 -1.30 -1.98 113.55 119.01 3hfa h SER 17 Ca 0.13 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.37 3hfa h SER 17 Cb 0.13 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.12 3hfa h SER 17 CO -0.02 0.10 -1.50 -0.08 -0.53 0.00 0.00 176.83 174.81 3hfa h GLU 18 N 0.00 0.44 -0.24 2.24 4.57 -0.92 -2.53 114.58 118.13 3hfa h GLU 18 Ca -0.00 -0.75 0.00 0.00 -1.18 0.00 0.00 59.36 57.44 3hfa h GLU 18 Cb 0.23 0.28 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 3hfa h GLU 18 CO 0.01 1.35 0.16 1.25 -1.18 0.00 0.00 179.01 180.60 3hfa h LEU 19 N 0.12 0.27 0.03 1.64 6.46 -0.49 0.26 115.31 123.59 3hfa h LEU 19 Ca -0.25 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.50 3hfa h LEU 19 Cb 2.11 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 41.97 3hfa h LEU 19 CO 0.23 0.19 -0.01 0.00 -0.62 0.00 0.00 178.44 178.24 3hfa h ALA 20 N 1.09 -0.04 -0.68 1.25 0.00 -1.48 -1.64 119.26 117.77 3hfa h ALA 20 Ca 0.09 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.92 3hfa h ALA 20 Cb -0.03 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.70 3hfa h ALA 20 CO -0.03 -0.34 0.30 -0.09 0.00 0.00 0.00 179.25 179.09 3hfa h ARG 21 N -0.40 0.49 -0.01 0.00 2.43 -1.37 -0.98 114.38 114.52 3hfa h ARG 21 Ca -0.00 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 3hfa h ARG 21 Cb 0.38 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3hfa h ARG 21 CO 0.01 0.32 -0.44 0.87 -1.51 0.00 0.00 179.97 179.21 3hfa h LYS 22 N 0.50 0.03 -0.06 0.20 1.57 -0.90 -2.52 116.57 115.39 3hfa h LYS 22 Ca 0.34 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.99 3hfa h LYS 22 Cb 0.42 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.73 3hfa h LYS 22 CO -0.31 0.47 -0.44 0.78 -0.57 0.00 0.00 179.45 179.39 3hfa h GLY 23 N 1.33 0.45 1.10 3.86 0.00 -0.22 -3.13 103.07 106.47 3hfa h GLY 23 Ca -0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 47.33 46.54 3hfa h GLY 23 CO 0.06 0.60 -0.12 -2.22 0.00 0.00 0.00 176.54 174.86 3hfa h ILE 24 N -0.06 1.27 0.00 2.60 2.04 -1.25 -2.43 117.51 119.68 3hfa h ILE 24 Ca -0.04 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.54 3hfa h ILE 24 Cb 1.10 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 3hfa h ILE 24 CO 0.09 0.45 0.00 0.00 0.00 0.00 0.00 178.15 178.69 3hfa h ALA 25 N 0.93 1.00 -0.01 1.87 0.00 -1.51 0.11 119.26 121.65 3hfa h ALA 25 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hfa h ALA 25 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3hfa h ALA 25 CO 0.05 0.00 -0.53 -2.13 0.00 0.00 0.00 179.25 176.64 3hfa n ARG 26 N -2.64 0.48 -2.66 0.00 0.63 -0.92 -4.06 116.66 107.49 3hfa n ARG 26 Ca -0.02 -0.34 -0.22 0.00 -0.92 0.00 0.00 57.85 56.36 3hfa n ARG 26 Cb 0.07 -1.49 0.03 0.00 0.45 0.00 0.00 32.46 31.52 3hfa n ARG 26 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3hfa s ALA 27 N -2.75 3.80 0.63 5.13 0.00 0.24 -4.89 121.76 123.91 3hfa s ALA 27 Ca 0.16 -1.23 -0.13 0.00 0.00 0.00 0.00 51.96 50.75 3hfa s ALA 27 Cb 0.18 -2.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.13 3hfa s ALA 27 CO 0.66 -0.73 1.05 0.15 0.00 0.00 0.00 175.76 176.89 3hfa s LYS 28 N -4.77 3.25 0.29 0.00 1.02 -1.26 -1.64 119.74 116.63 3hfa s LYS 28 Ca 0.56 1.03 -0.00 0.00 0.02 0.00 0.00 55.97 57.57 3hfa s LYS 28 Cb -0.10 -2.03 -0.04 0.00 -0.52 0.00 0.00 37.83 35.14 3hfa s LYS 28 CO 0.39 -0.85 0.50 -1.12 -0.92 0.00 0.00 175.35 173.34 3hfa s SER 29 N -3.38 6.34 -0.03 2.83 0.01 -1.26 -4.29 113.70 113.92 3hfa s SER 29 Ca 0.60 0.45 -0.05 0.00 1.31 0.00 0.00 55.95 58.26 3hfa s SER 29 Cb -0.14 -2.03 0.01 0.00 0.21 0.00 0.00 66.02 64.07 3hfa s SER 29 CO 0.46 -0.20 0.12 -0.69 0.41 0.00 0.00 173.24 173.33 3hfa s VAL 30 N -2.14 0.02 0.05 3.43 1.01 0.25 -1.64 120.40 121.37 3hfa s VAL 30 Ca 0.40 -0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.25 3hfa s VAL 30 Cb -0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 36.02 3hfa s VAL 30 CO 0.33 -0.10 -0.15 0.68 0.00 0.00 0.00 175.10 175.86 3hfa s VAL 31 N -0.28 1.19 -0.08 2.92 -7.23 -0.13 -0.77 120.40 116.02 3hfa s VAL 31 Ca -0.04 -1.12 0.03 0.00 -1.81 0.00 0.00 61.98 59.04 3hfa s VAL 31 Cb -0.03 -1.09 0.01 0.00 0.56 0.00 0.00 36.38 35.84 3hfa s VAL 31 CO 0.00 -0.04 -0.15 0.00 -0.31 0.00 0.00 175.10 174.60 3hfa s ALA 32 N -0.97 1.51 -0.05 1.32 0.00 -0.20 -1.40 121.76 121.97 3hfa s ALA 32 Ca 0.01 -0.57 0.03 0.00 0.00 0.00 0.00 51.96 51.43 3hfa s ALA 32 Cb -0.09 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.40 3hfa s ALA 32 CO 0.02 0.16 -0.13 -0.51 0.00 0.00 0.00 175.76 175.29 3hfa s LEU 33 N 0.58 1.76 0.36 0.00 1.02 -0.34 -0.70 118.68 121.37 3hfa s LEU 33 Ca -0.16 -0.30 -0.27 0.00 0.02 0.00 0.00 54.13 53.43 3hfa s LEU 33 Cb -0.16 -0.82 -0.09 0.00 0.02 0.00 0.00 46.19 45.13 3hfa s LEU 33 CO 0.05 0.08 1.21 0.00 0.02 0.00 0.00 176.35 177.71 3hfa s ALA 34 N 0.38 3.30 0.31 4.21 0.00 -0.40 -0.72 121.76 128.83 3hfa s ALA 34 Ca -0.09 1.06 -0.04 0.00 0.00 0.00 0.00 51.96 52.89 3hfa s ALA 34 Cb -0.13 -3.41 -0.00 0.00 0.00 0.00 0.00 23.12 19.58 3hfa s ALA 34 CO 0.03 -0.53 0.43 1.52 0.00 0.00 0.00 175.76 177.21 3hfa s TYR 35 N -1.28 0.97 0.29 0.00 -0.85 0.20 -4.64 117.35 112.03 3hfa s TYR 35 Ca 0.53 -1.21 -0.02 0.00 -0.52 0.00 0.00 57.07 55.85 3hfa s TYR 35 Cb -0.34 -0.10 0.45 0.00 0.38 0.00 0.00 41.96 42.34 3hfa s TYR 35 CO 0.44 -1.05 1.93 0.00 -1.52 0.00 0.00 175.55 175.35 3hfa h ALA 36 N 2.19 1.43 -0.01 9.51 0.00 -0.92 -2.23 119.26 129.23 3hfa h ALA 36 Ca -0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3hfa h ALA 36 Cb 1.24 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3hfa h ALA 36 CO 0.39 0.47 -0.10 0.41 0.00 0.00 0.00 179.25 180.42 3hfa n GLY 37 N -1.39 -0.23 0.00 0.00 0.00 -1.26 -5.01 105.19 97.30 3hfa n GLY 37 Ca 0.12 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3hfa n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hfa n GLY 38 N 1.24 0.33 3.44 -0.02 0.00 -0.84 -1.31 105.19 108.04 3hfa n GLY 38 Ca 0.16 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.96 3.18 -0.16 1.61 1.01 -0.79 0.59 120.40 122.88 3hfa s VAL 39 Ca 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 3hfa s VAL 39 Cb 0.00 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 3hfa s VAL 39 CO 0.00 0.56 -0.02 -0.22 0.00 0.00 0.00 175.10 175.42 3hfa s LEU 40 N -0.21 3.38 -0.17 3.92 2.96 0.10 -0.53 118.68 128.13 3hfa s LEU 40 Ca 0.01 -0.07 -0.04 0.00 -0.22 0.00 0.00 54.13 53.81 3hfa s LEU 40 Cb -0.13 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 3hfa s LEU 40 CO 0.03 0.18 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.85 3hfa s PHE 41 N 0.30 3.03 -0.06 5.38 0.08 0.33 -1.19 117.98 125.84 3hfa s PHE 41 Ca -0.02 -0.36 -0.00 0.00 0.12 0.00 0.00 56.93 56.67 3hfa s PHE 41 Cb -0.14 -2.00 0.02 0.00 -0.57 0.00 0.00 43.02 40.34 3hfa s PHE 41 CO 0.02 -0.11 -0.03 0.08 -0.10 0.00 0.00 175.22 175.09 3hfa s VAL 42 N 0.57 0.50 0.00 -0.44 1.01 -0.49 -2.17 120.40 119.38 3hfa s VAL 42 Ca -0.02 -0.02 0.04 0.00 0.00 0.00 0.00 61.98 61.98 3hfa s VAL 42 Cb -0.14 -0.58 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 3hfa s VAL 42 CO 0.02 0.25 -0.13 0.00 0.00 0.00 0.00 175.10 175.24 3hfa s ALA 43 N 1.47 1.10 -0.18 5.51 0.00 -0.56 -0.95 121.76 128.15 3hfa s ALA 43 Ca -0.02 -0.63 -0.29 0.00 0.00 0.00 0.00 51.96 51.02 3hfa s ALA 43 Cb -0.13 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 3hfa s ALA 43 CO -0.03 0.25 1.86 -1.21 0.00 0.00 0.00 175.76 176.63 3hfa s GLU 44 N -0.53 3.64 -0.26 0.00 2.02 -0.65 -1.14 118.70 121.78 3hfa s GLU 44 Ca 0.04 1.91 -0.01 0.00 0.02 0.00 0.00 54.97 56.93 3hfa s GLU 44 Cb -0.06 -4.17 0.15 0.00 0.10 0.00 0.00 34.13 30.16 3hfa s GLU 44 CO -0.00 -1.50 0.42 1.21 0.02 0.00 0.00 175.26 175.41 3hfa s ASN 45 N 5.53 0.01 0.17 -0.19 3.84 -0.00 -4.67 114.94 119.63 3hfa s ASN 45 Ca 0.83 0.18 -0.03 0.00 0.21 0.00 0.00 52.86 54.06 3hfa s ASN 45 Cb -0.30 1.28 0.06 0.00 -0.55 0.00 0.00 41.25 41.73 3hfa s ASN 45 CO 0.34 -0.31 1.44 -0.65 -2.79 0.00 0.00 177.10 175.13 3hfa h PRO 46 N 8.15 0.46 -7.11 0.43 0.11 -1.79 -3.21 132.00 129.04 3hfa h PRO 46 Ca -0.17 -0.36 -0.55 0.00 0.11 0.00 0.00 66.00 65.03 3hfa h PRO 46 Cb 1.15 0.07 0.15 0.00 0.11 0.00 0.00 31.00 32.48 3hfa h PRO 46 CO 0.27 0.99 0.51 0.45 -0.21 0.00 0.00 178.00 180.00 3hfa s SER 47 N -6.97 4.65 -0.16 -2.05 0.15 -1.26 -4.77 113.70 103.29 3hfa s SER 47 Ca -0.06 2.59 0.17 0.00 0.70 0.00 0.00 55.95 59.35 3hfa s SER 47 Cb 0.10 -2.62 -0.24 0.00 -1.71 0.00 0.00 66.02 61.56 3hfa s SER 47 CO 0.84 -1.97 0.11 -2.11 1.20 0.00 0.00 173.24 171.31 3hfa n ARG 48 N -1.90 0.97 -0.06 5.44 1.85 -1.26 -4.68 116.66 117.02 3hfa n ARG 48 Ca 0.16 -0.03 -0.05 0.00 -1.00 0.00 0.00 57.85 56.92 3hfa n ARG 48 Cb 0.48 -1.47 -0.09 0.00 -1.05 0.00 0.00 32.46 30.33 3hfa n ARG 48 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3hfa n SER 49 N -2.61 2.10 -4.72 2.89 3.41 -1.26 -4.96 113.62 108.47 3hfa n SER 49 Ca -0.26 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.93 3hfa n SER 49 Cb 1.02 0.82 -0.03 0.00 -0.26 0.00 0.00 64.21 65.75 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 -4.83 4.42 0.00 1.04 1.43 -1.26 -5.04 118.68 114.44 3hfa s LEU 50 Ca -0.06 1.77 0.07 0.00 -1.03 0.00 0.00 54.13 54.89 3hfa s LEU 50 Cb 0.04 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.66 3hfa s LEU 50 CO 0.48 -0.22 -0.23 -1.10 0.23 0.00 0.00 176.35 175.51 3hfa s GLN 51 N 0.62 1.75 0.00 1.70 -0.21 -1.26 -4.79 119.66 117.47 3hfa s GLN 51 Ca 0.51 -0.88 0.06 0.00 0.02 0.00 0.00 55.36 55.07 3hfa s GLN 51 Cb -0.23 -1.76 0.03 0.00 1.00 0.00 0.00 33.01 32.06 3hfa s GLN 51 CO 0.29 0.47 0.63 0.36 -2.12 0.00 0.00 175.29 174.93 3hfa n LYS 52 N 2.29 0.61 -5.04 2.91 2.85 -1.26 -4.97 118.16 115.54 3hfa n LYS 52 Ca -0.16 -0.75 -0.30 0.00 -1.05 0.00 0.00 58.31 56.05 3hfa n LYS 52 Cb 0.52 -1.07 -0.15 0.00 -0.65 0.00 0.00 35.03 33.68 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 -0.66 2.04 0.02 0.58 1.01 -1.26 -1.25 121.20 121.68 3hfa s ILE 53 Ca 0.07 -1.25 -0.28 0.00 0.00 0.00 0.00 60.65 59.19 3hfa s ILE 53 Cb 0.05 -1.73 0.07 0.00 0.01 0.00 0.00 42.46 40.86 3hfa s ILE 53 CO 0.10 0.44 0.66 -0.55 0.00 0.00 0.00 174.94 175.58 3hfa s SER 54 N -0.97 -0.62 0.31 3.58 0.15 0.24 -5.00 113.70 111.39 3hfa s SER 54 Ca 0.11 0.46 -0.28 0.00 0.70 0.00 0.00 55.95 56.93 3hfa s SER 54 Cb -0.10 0.56 -0.09 0.00 -1.71 0.00 0.00 66.02 64.68 3hfa s SER 54 CO 0.01 -0.74 1.11 -0.70 1.20 0.00 0.00 173.24 174.12 3hfa s GLU 55 N -2.11 4.48 -0.13 5.44 2.12 -1.26 -0.55 118.70 126.69 3hfa s GLU 55 Ca -0.07 1.78 -0.07 0.00 0.36 0.00 0.00 54.97 56.98 3hfa s GLU 55 Cb -0.00 -3.02 -0.06 0.00 0.26 0.00 0.00 34.13 31.31 3hfa s GLU 55 CO 0.02 0.08 -0.17 1.28 -0.54 0.00 0.00 175.26 175.92 3hfa n LEU 56 N 0.84 0.96 0.00 2.70 4.77 -0.45 -4.84 117.00 120.98 3hfa n LEU 56 Ca 0.01 0.17 -0.10 0.00 -0.03 0.00 0.00 56.01 56.05 3hfa n LEU 56 Cb 0.46 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 3hfa n LEU 56 CO 0.52 0.25 0.21 0.00 -1.33 0.00 0.00 177.39 177.04 3hfa n TYR 57 N -3.61 -1.44 -0.40 -1.77 9.36 -0.92 -4.76 117.16 113.62 3hfa n TYR 57 Ca -0.26 -1.64 -0.05 0.00 3.32 0.00 0.00 57.90 59.27 3hfa n TYR 57 Cb 0.67 0.49 -0.02 0.00 -0.63 0.00 0.00 39.34 39.86 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 1.47 -1.76 -0.24 2.98 3.32 -1.95 -2.19 116.42 118.04 3hfa h ASP 58 Ca -0.22 0.32 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3hfa h ASP 58 Cb 0.89 0.85 0.00 0.00 0.22 0.00 0.00 39.33 41.29 3hfa h ASP 58 CO 0.29 -0.26 0.00 0.54 -1.72 0.00 0.00 179.24 178.08 3hfa n ARG 59 N -5.38 2.81 -5.08 3.56 5.12 -1.26 -0.78 116.66 115.65 3hfa n ARG 59 Ca 0.07 -2.13 -0.30 0.00 -1.93 0.00 0.00 57.85 53.56 3hfa n ARG 59 Cb 0.34 -1.34 -0.17 0.00 -1.16 0.00 0.00 32.46 30.13 3hfa n ARG 59 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3hfa s VAL 60 N -1.47 1.84 0.37 1.55 1.01 -0.83 -1.91 120.40 120.96 3hfa s VAL 60 Ca 0.23 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.37 3hfa s VAL 60 Cb 0.15 -1.59 -0.07 0.00 0.00 0.00 0.00 36.38 34.87 3hfa s VAL 60 CO 0.11 0.51 -0.01 -0.83 0.00 0.00 0.00 175.10 174.88 3hfa s GLY 61 N 0.25 2.30 -0.01 4.51 0.00 0.28 -1.33 107.32 113.31 3hfa s GLY 61 Ca -0.13 -2.18 -0.01 0.00 0.00 0.00 0.00 44.72 42.40 3hfa s GLY 61 CO 0.06 -2.00 0.02 -0.12 0.00 0.00 0.00 173.10 171.06 3hfa s PHE 62 N -2.84 -0.01 0.01 1.90 5.36 0.29 -1.58 117.98 121.10 3hfa s PHE 62 Ca 0.34 0.08 -0.02 0.00 -0.96 0.00 0.00 56.93 56.37 3hfa s PHE 62 Cb 0.08 -0.05 -0.01 0.00 -0.34 0.00 0.00 43.02 42.69 3hfa s PHE 62 CO 0.17 -0.03 0.02 0.00 -1.46 0.00 0.00 175.22 173.91 3hfa s ALA 63 N 0.30 -0.02 0.02 11.12 0.00 -0.44 -0.60 121.76 132.14 3hfa s ALA 63 Ca -0.02 -0.37 -0.07 0.00 0.00 0.00 0.00 51.96 51.50 3hfa s ALA 63 Cb -0.04 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.19 3hfa s ALA 63 CO -0.01 -0.15 0.13 0.00 0.00 0.00 0.00 175.76 175.74 3hfa s ALA 64 N -1.20 -0.26 0.10 0.00 0.00 -0.38 -0.22 121.76 119.79 3hfa s ALA 64 Ca -0.13 -0.27 0.08 0.00 0.00 0.00 0.00 51.96 51.63 3hfa s ALA 64 Cb -0.08 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 3hfa s ALA 64 CO -0.00 -0.26 -0.20 0.00 0.00 0.00 0.00 175.76 175.30 3hfa s ALA 65 N -1.89 1.72 0.00 0.00 0.00 -0.58 -4.86 121.76 116.15 3hfa s ALA 65 Ca -0.11 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.62 3hfa s ALA 65 Cb -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.86 3hfa s ALA 65 CO -0.01 0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.48 3hfa n GLY 66 N 1.04 0.19 3.66 0.00 0.00 -1.26 -1.53 105.19 107.29 3hfa n GLY 66 Ca -0.19 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.13 4.23 0.10 1.61 2.20 -0.58 -4.90 119.74 122.28 3hfa s LYS 67 Ca 0.00 1.49 -0.26 0.00 -0.36 0.00 0.00 55.97 56.84 3hfa s LYS 67 Cb 0.00 -3.71 -0.12 0.00 -1.51 0.00 0.00 37.83 32.49 3hfa s LYS 67 CO 0.00 -0.68 1.68 0.35 -0.36 0.00 0.00 175.35 176.33 3hfa h PHE 68 N 7.86 -0.44 -0.67 4.03 3.57 -1.95 -1.54 116.94 127.80 3hfa h PHE 68 Ca -0.23 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.41 3hfa h PHE 68 Cb 1.08 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.95 3hfa h PHE 68 CO 0.78 -0.26 0.46 -2.95 -2.23 0.00 0.00 178.31 174.11 3hfa h ASN 69 N -0.38 0.32 0.01 0.41 7.08 -1.98 0.17 115.58 121.20 3hfa h ASN 69 Ca -0.00 0.01 -0.06 0.00 -3.08 0.00 0.00 56.30 53.17 3hfa h ASN 69 Cb 0.35 -0.05 0.01 0.00 -2.08 0.00 0.00 38.32 36.55 3hfa h ASN 69 CO -0.04 0.17 -0.25 -0.33 -2.08 0.00 0.00 177.43 174.91 3hfa h GLU 70 N 0.34 0.16 0.00 4.14 5.08 -1.80 -2.44 114.58 120.07 3hfa h GLU 70 Ca 0.32 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 3hfa h GLU 70 Cb 0.79 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 3hfa h GLU 70 CO -0.09 0.94 -0.21 0.27 -1.00 0.00 0.00 179.01 178.92 3hfa h PHE 71 N -0.54 0.00 -0.42 4.33 -5.15 -0.91 -2.66 116.94 111.59 3hfa h PHE 71 Ca -0.03 0.00 -0.14 0.00 -0.20 0.00 0.00 57.97 57.60 3hfa h PHE 71 Cb 1.03 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.19 3hfa h PHE 71 CO 0.19 0.21 -0.27 0.22 -2.00 0.00 0.00 178.31 176.66 3hfa h ASP 72 N 0.00 0.97 -0.47 -0.68 3.58 -0.74 0.77 116.42 119.86 3hfa h ASP 72 Ca -0.00 -0.43 0.09 0.00 0.42 0.00 0.00 57.03 57.11 3hfa h ASP 72 Cb 0.87 -0.27 -0.08 0.00 1.72 0.00 0.00 39.33 41.57 3hfa h ASP 72 CO 0.03 1.19 -0.03 0.78 -2.88 0.00 0.00 179.24 178.33 3hfa h ASN 73 N 0.76 -0.25 -0.29 2.28 2.35 -1.20 -0.81 115.58 118.42 3hfa h ASN 73 Ca 0.09 0.12 -0.09 0.00 -0.55 0.00 0.00 56.30 55.86 3hfa h ASN 73 Cb 0.85 0.22 -0.02 0.00 0.05 0.00 0.00 38.32 39.43 3hfa h ASN 73 CO 0.08 -0.09 -0.13 -0.07 -1.65 0.00 0.00 177.43 175.57 3hfa h LEU 74 N 0.09 0.71 0.02 1.61 3.38 -1.13 -0.29 115.31 119.69 3hfa h LEU 74 Ca 0.23 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3hfa h LEU 74 Cb 0.35 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3hfa h LEU 74 CO -0.41 0.86 -0.04 -0.09 0.09 0.00 0.00 178.44 178.85 3hfa h ARG 75 N 0.65 -0.08 -0.77 1.13 2.43 -0.40 -0.32 114.38 117.02 3hfa h ARG 75 Ca 0.11 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 3hfa h ARG 75 Cb 0.59 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 3hfa h ARG 75 CO 0.04 -0.05 0.30 0.00 -1.51 0.00 0.00 179.97 178.74 3hfa h ARG 76 N -0.08 1.16 -0.88 0.20 3.08 -0.85 -1.74 114.38 115.27 3hfa h ARG 76 Ca 0.01 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.82 3hfa h ARG 76 Cb 0.08 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 29.91 3hfa h ARG 76 CO -0.02 0.95 0.47 0.78 -1.07 0.00 0.00 179.97 181.08 3hfa h GLY 77 N 1.15 1.32 0.90 0.04 0.00 -0.79 -0.58 103.07 105.11 3hfa h GLY 77 Ca 0.26 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 3hfa h GLY 77 CO -0.02 0.59 0.07 -1.33 0.00 0.00 0.00 176.54 175.84 3hfa h GLY 78 N 1.24 0.56 1.00 4.60 0.00 -0.64 -0.06 103.07 109.77 3hfa h GLY 78 Ca 0.31 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 3hfa h GLY 78 CO -0.05 0.33 0.35 -2.22 0.00 0.00 0.00 176.54 174.95 3hfa h ILE 79 N 0.35 1.21 -0.26 2.60 2.04 -1.05 0.14 117.51 122.53 3hfa h ILE 79 Ca 0.10 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.43 3hfa h ILE 79 Cb 0.32 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3hfa h ILE 79 CO 0.00 0.24 0.09 -0.61 0.00 0.00 0.00 178.15 177.87 3hfa h GLN 80 N 0.91 0.21 0.26 2.37 5.75 -0.91 -0.76 115.11 122.93 3hfa h GLN 80 Ca 0.23 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.71 3hfa h GLN 80 Cb 0.06 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.57 3hfa h GLN 80 CO -0.03 0.14 -0.13 0.35 -2.65 0.00 0.00 178.83 176.51 3hfa h PHE 81 N 0.21 -0.32 -0.06 3.99 3.57 -0.40 -2.03 116.94 121.90 3hfa h PHE 81 Ca 0.12 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.63 3hfa h PHE 81 Cb 0.08 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 3hfa h PHE 81 CO -0.13 -0.19 -0.08 0.00 -2.23 0.00 0.00 178.31 175.68 3hfa h ALA 82 N 0.37 -0.04 -0.44 2.41 0.00 -0.64 -0.73 119.26 120.20 3hfa h ALA 82 Ca -0.04 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3hfa h ALA 82 Cb 0.28 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3hfa h ALA 82 CO 0.06 -0.56 0.08 -0.44 0.00 0.00 0.00 179.25 178.40 3hfa h ASP 83 N -0.11 0.61 -0.15 0.00 3.32 -1.11 -0.50 116.42 118.48 3hfa h ASP 83 Ca 0.05 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 3hfa h ASP 83 Cb 0.19 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 3hfa h ASP 83 CO -0.13 0.63 -0.03 0.74 -1.72 0.00 0.00 179.24 178.74 3hfa h THR 84 N 0.64 1.28 -0.37 0.35 2.02 -1.10 -2.14 112.91 113.59 3hfa h THR 84 Ca 0.14 -0.95 -0.00 0.00 0.77 0.00 0.00 66.41 66.37 3hfa h THR 84 Cb 0.28 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 3hfa h THR 84 CO 0.00 0.28 0.21 0.03 0.37 0.00 0.00 175.52 176.41 3hfa h ARG 85 N -0.02 0.51 -0.48 6.66 2.47 -0.74 0.06 114.38 122.83 3hfa h ARG 85 Ca 0.04 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 3hfa h ARG 85 Cb 0.44 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.63 3hfa h ARG 85 CO 0.01 0.40 0.26 0.78 0.56 0.00 0.00 179.97 181.98 3hfa h GLY 86 N 0.48 0.71 1.27 0.04 0.00 -1.09 0.15 103.07 104.62 3hfa h GLY 86 Ca 0.13 -0.30 -0.27 0.00 0.00 0.00 0.00 47.33 46.89 3hfa h GLY 86 CO -0.02 0.29 -1.06 -1.82 0.00 0.00 0.00 176.54 173.93 3hfa h TYR 87 N 0.67 0.98 0.00 5.60 3.20 -1.00 -3.08 116.97 123.33 3hfa h TYR 87 Ca 0.17 -0.55 -0.14 0.00 3.14 0.00 0.00 58.73 61.36 3hfa h TYR 87 Cb 0.03 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 3hfa h TYR 87 CO 0.00 1.38 -0.68 0.00 -1.64 0.00 0.00 178.16 177.23 3hfa h ALA 88 N 0.44 0.87 -3.00 1.82 0.00 -0.46 -3.44 119.26 115.49 3hfa h ALA 88 Ca -0.13 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.16 3hfa h ALA 88 Cb 1.72 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3hfa h ALA 88 CO 0.20 0.84 0.00 0.66 0.00 0.00 0.00 179.25 180.96 3hfa n TYR 89 N -3.71 0.00 -3.90 0.00 4.01 0.48 -5.09 117.16 108.95 3hfa n TYR 89 Ca -0.01 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.64 3hfa n TYR 89 Cb 0.67 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.62 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 0.54 0.13 0.22 7.72 2.15 -1.17 -4.96 116.67 121.31 3hfa s ASP 90 Ca 0.00 -0.73 -0.07 0.00 0.43 0.00 0.00 52.55 52.17 3hfa s ASP 90 Cb 0.00 0.35 0.35 0.00 -0.30 0.00 0.00 42.92 43.31 3hfa s ASP 90 CO 0.00 -0.75 1.75 0.03 -0.17 0.00 0.00 175.17 176.03 3hfa h ARG 91 N 2.74 0.48 0.00 4.34 3.08 -1.89 -0.35 114.38 122.78 3hfa h ARG 91 Ca -0.34 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.69 3hfa h ARG 91 Cb 1.20 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.14 3hfa h ARG 91 CO 0.55 0.32 0.00 0.54 -1.07 0.00 0.00 179.97 180.31 3hfa n ARG 92 N -4.94 0.05 0.01 0.04 5.12 -1.26 -1.56 116.66 114.11 3hfa n ARG 92 Ca 0.11 0.45 0.12 0.00 -1.93 0.00 0.00 57.85 56.60 3hfa n ARG 92 Cb 0.31 -1.62 0.29 0.00 -1.16 0.00 0.00 32.46 30.28 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 -1.71 0.45 -4.70 0.55 8.00 -0.14 -4.81 116.55 114.19 3hfa n ASP 93 Ca 0.01 -0.10 -0.41 0.00 0.71 0.00 0.00 54.79 55.00 3hfa n ASP 93 Cb 0.08 0.13 -0.04 0.00 -0.02 0.00 0.00 41.12 41.27 3hfa n ASP 93 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hfa s VAL 94 N -3.02 4.95 0.13 2.53 1.01 -0.60 -5.01 120.40 120.38 3hfa s VAL 94 Ca 0.11 1.64 0.04 0.00 0.00 0.00 0.00 61.98 63.76 3hfa s VAL 94 Cb 0.17 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 3hfa s VAL 94 CO 0.68 0.15 -0.09 0.42 0.00 0.00 0.00 175.10 176.25 3hfa s THR 95 N 1.34 1.04 0.23 3.92 -4.23 -1.26 -4.99 115.64 111.68 3hfa s THR 95 Ca 0.41 -1.95 -0.07 0.00 -1.18 0.00 0.00 61.69 58.89 3hfa s THR 95 Cb -0.18 -1.72 0.20 0.00 1.34 0.00 0.00 72.50 72.14 3hfa s THR 95 CO 0.18 -0.73 1.84 1.23 -0.54 0.00 0.00 174.62 176.60 3hfa h GLY 96 N 2.97 1.33 0.71 3.99 0.00 -1.93 -2.20 103.07 107.94 3hfa h GLY 96 Ca -0.36 -0.62 0.04 0.00 0.00 0.00 0.00 47.33 46.38 3hfa h GLY 96 CO 0.62 0.60 0.09 -0.09 0.00 0.00 0.00 176.54 177.76 3hfa h ARG 97 N 1.24 0.22 -0.32 4.80 2.43 -1.96 0.11 114.38 120.89 3hfa h ARG 97 Ca 0.31 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.52 3hfa h ARG 97 Cb 0.06 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 3hfa h ARG 97 CO -0.05 0.14 0.02 0.37 -1.51 0.00 0.00 179.97 178.94 3hfa h GLN 98 N 0.22 0.11 -0.34 0.20 4.15 -1.89 0.41 115.11 117.97 3hfa h GLN 98 Ca 0.14 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.52 3hfa h GLN 98 Cb 0.12 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 3hfa h GLN 98 CO -0.16 0.07 0.07 -0.07 -1.93 0.00 0.00 178.83 176.81 3hfa h LEU 99 N 0.11 0.54 -0.54 -2.39 3.38 -0.96 -1.49 115.31 113.97 3hfa h LEU 99 Ca 0.15 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.93 3hfa h LEU 99 Cb 0.20 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 3hfa h LEU 99 CO -0.24 0.65 0.25 0.00 0.09 0.00 0.00 178.44 179.19 3hfa h ALA 100 N 0.91 0.69 -0.62 1.53 0.00 -0.55 -0.27 119.26 120.94 3hfa h ALA 100 Ca 0.11 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3hfa h ALA 100 Cb 0.33 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 3hfa h ALA 100 CO 0.00 -0.11 0.36 -0.97 0.00 0.00 0.00 179.25 178.53 3hfa h ASN 101 N 0.48 0.55 0.08 0.00 -0.73 -0.68 -0.37 115.58 114.91 3hfa h ASN 101 Ca 0.25 0.02 -0.14 0.00 1.87 0.00 0.00 56.30 58.29 3hfa h ASN 101 Cb 0.20 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.69 3hfa h ASN 101 CO -0.20 0.37 -0.50 1.62 -0.37 0.00 0.00 177.43 178.35 3hfa h VAL 102 N 0.68 1.32 -0.60 2.57 3.04 -0.67 -1.94 116.25 120.65 3hfa h VAL 102 Ca 0.27 -1.73 -0.08 0.00 -1.01 0.00 0.00 66.70 64.15 3hfa h VAL 102 Cb 0.12 1.74 -0.02 0.00 -2.01 0.00 0.00 31.29 31.11 3hfa h VAL 102 CO -0.15 0.53 0.07 1.88 -1.01 0.00 0.00 177.57 178.89 3hfa h TYR 103 N 0.37 1.08 -0.10 3.17 0.05 -0.62 -0.31 116.97 120.62 3hfa h TYR 103 Ca 0.02 -0.16 0.02 0.00 0.05 0.00 0.00 58.73 58.65 3hfa h TYR 103 Cb 1.01 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 38.44 3hfa h TYR 103 CO 0.04 0.94 -0.03 0.00 -1.05 0.00 0.00 178.16 178.06 3hfa h ALA 104 N 1.00 0.06 -0.78 3.88 0.00 -0.78 0.16 119.26 122.80 3hfa h ALA 104 Ca 0.18 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3hfa h ALA 104 Cb 0.47 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3hfa h ALA 104 CO 0.02 -0.50 0.43 0.37 0.00 0.00 0.00 179.25 179.57 3hfa h GLN 105 N -0.01 1.08 0.03 0.00 4.15 -1.24 -0.47 115.11 118.65 3hfa h GLN 105 Ca 0.05 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 3hfa h GLN 105 Cb 0.09 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.57 3hfa h GLN 105 CO -0.11 0.80 -0.01 1.15 -1.93 0.00 0.00 178.83 178.73 3hfa h THR 106 N 1.07 1.21 -0.32 2.39 2.02 -0.53 -1.89 112.91 116.87 3hfa h THR 106 Ca 0.27 -0.73 -0.07 0.00 0.77 0.00 0.00 66.41 66.66 3hfa h THR 106 Cb 0.03 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 3hfa h THR 106 CO -0.04 0.19 -0.09 -0.07 0.37 0.00 0.00 175.52 175.87 3hfa h LEU 107 N -0.35 0.51 -0.29 2.58 3.38 -0.66 -0.38 115.31 120.11 3hfa h LEU 107 Ca -0.00 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3hfa h LEU 107 Cb 0.33 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3hfa h LEU 107 CO 0.01 0.65 0.17 1.23 0.09 0.00 0.00 178.44 180.58 3hfa h GLY 108 N 0.92 0.39 0.94 0.83 0.00 -0.99 0.23 103.07 105.38 3hfa h GLY 108 Ca 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3hfa h GLY 108 CO 0.03 0.12 0.15 -0.84 0.00 0.00 0.00 176.54 175.99 3hfa h THR 109 N 0.34 1.16 -0.77 4.70 2.02 -0.93 -2.63 112.91 116.81 3hfa h THR 109 Ca 0.11 -0.47 0.02 0.00 0.77 0.00 0.00 66.41 66.84 3hfa h THR 109 Cb -0.00 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 3hfa h THR 109 CO -0.05 0.17 0.50 0.40 0.37 0.00 0.00 175.52 176.91 3hfa h ILE 110 N 0.37 1.16 -0.45 3.11 2.04 -0.87 -0.93 117.51 121.94 3hfa h ILE 110 Ca 0.11 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 3hfa h ILE 110 Cb 0.13 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.26 3hfa h ILE 110 CO -0.01 0.18 0.10 0.15 0.00 0.00 0.00 178.15 178.57 3hfa h PHE 111 N 1.00 0.69 0.00 1.37 3.57 -0.30 -1.86 116.94 121.41 3hfa h PHE 111 Ca 0.30 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.74 3hfa h PHE 111 Cb -0.05 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.48 3hfa h PHE 111 CO -0.03 0.59 -1.13 0.25 -2.23 0.00 0.00 178.31 175.77 3hfa n THR 112 N -4.30 0.00 0.00 4.41 -2.24 -1.01 -4.69 114.28 106.44 3hfa n THR 112 Ca 0.03 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3hfa n THR 112 Cb 0.21 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 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 -1.62 2.30 -1.09 -0.78 1.02 -0.37 -5.06 120.64 115.05 3hfa n GLU 113 Ca 0.02 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.85 3hfa n GLU 113 Cb 0.35 -0.91 0.12 0.00 -0.02 0.00 0.00 31.44 30.98 3hfa n GLU 113 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3hfa s GLN 114 N -1.73 1.70 0.26 3.49 2.00 -0.70 -4.93 119.66 119.74 3hfa s GLN 114 Ca 0.00 1.21 -0.03 0.00 -2.00 0.00 0.00 55.36 54.54 3hfa s GLN 114 Cb 0.00 -1.83 0.32 0.00 0.80 0.00 0.00 33.01 32.30 3hfa s GLN 114 CO 0.00 -2.04 1.77 0.00 -0.50 0.00 0.00 175.29 174.52 3hfa h ALA 115 N -1.42 1.11 -3.97 1.58 0.00 -1.97 -3.43 119.26 111.16 3hfa h ALA 115 Ca -0.45 -0.24 -0.37 0.00 0.00 0.00 0.00 54.91 53.85 3hfa h ALA 115 Cb 1.25 -0.21 -0.28 0.00 0.00 0.00 0.00 17.79 18.54 3hfa h ALA 115 CO 0.49 0.58 -0.77 0.21 0.00 0.00 0.00 179.25 179.76 3hfa s LYS 116 N -5.11 0.65 0.73 0.00 2.20 -1.26 -5.14 119.74 111.81 3hfa s LYS 116 Ca -0.10 -0.31 -0.14 0.00 -0.36 0.00 0.00 55.97 55.06 3hfa s LYS 116 Cb 0.15 -0.63 0.04 0.00 -1.51 0.00 0.00 37.83 35.89 3hfa s LYS 116 CO 0.81 0.17 1.18 -2.14 -0.36 0.00 0.00 175.35 175.02 3hfa s PRO 117 N -0.24 2.16 0.01 4.03 0.02 -1.26 -4.92 135.00 134.79 3hfa s PRO 117 Ca 0.03 1.67 -0.30 0.00 0.02 0.00 0.00 61.00 62.41 3hfa s PRO 117 Cb -0.03 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.60 3hfa s PRO 117 CO -0.00 -1.80 1.14 0.71 -0.33 0.00 0.00 177.00 176.72 3hfa s TYR 118 N -2.12 3.42 -1.27 6.54 1.51 -1.26 -4.91 117.35 119.26 3hfa s TYR 118 Ca 0.72 1.38 -0.11 0.00 -1.01 0.00 0.00 57.07 58.06 3hfa s TYR 118 Cb -0.27 -3.34 0.16 0.00 -0.11 0.00 0.00 41.96 38.40 3hfa s TYR 118 CO 0.46 -0.95 1.80 0.39 -1.11 0.00 0.00 175.55 176.14 3hfa n GLU 119 N 4.34 3.53 -4.02 -0.62 1.02 -1.26 -4.78 120.64 118.85 3hfa n GLU 119 Ca 0.09 -3.55 -0.08 0.00 -0.02 0.00 0.00 57.16 53.60 3hfa n GLU 119 Cb 0.47 -2.97 -0.09 0.00 -0.02 0.00 0.00 31.44 28.83 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 0.80 0.19 -0.02 2.62 -7.23 -1.26 -1.52 120.40 113.98 3hfa s VAL 120 Ca 0.41 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 3hfa s VAL 120 Cb 0.07 -1.39 0.03 0.00 0.56 0.00 0.00 36.38 35.65 3hfa s VAL 120 CO 0.00 -0.87 0.02 -0.70 -0.31 0.00 0.00 175.10 173.24 3hfa s GLU 121 N -3.74 0.09 0.10 4.82 2.12 -0.58 -3.31 118.70 118.20 3hfa s GLU 121 Ca 0.05 0.13 0.09 0.00 0.36 0.00 0.00 54.97 55.60 3hfa s GLU 121 Cb 0.06 -0.32 -0.03 0.00 0.26 0.00 0.00 34.13 34.10 3hfa s GLU 121 CO -0.10 -0.14 -0.23 -0.51 -0.54 0.00 0.00 175.26 173.74 3hfa s LEU 122 N 0.97 2.28 -0.12 2.70 1.43 0.04 -1.53 118.68 124.45 3hfa s LEU 122 Ca -0.09 -0.68 0.03 0.00 -1.03 0.00 0.00 54.13 52.37 3hfa s LEU 122 Cb -0.12 -1.02 0.00 0.00 0.03 0.00 0.00 46.19 45.08 3hfa s LEU 122 CO -0.02 0.12 -0.23 0.00 0.23 0.00 0.00 176.35 176.45 3hfa s VAL 124 N 0.53 3.42 0.11 0.00 1.01 -0.33 -1.33 120.40 123.81 3hfa s VAL 124 Ca -0.14 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 61.40 3hfa s VAL 124 Cb -0.17 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 3hfa s VAL 124 CO 0.05 0.50 -0.20 0.00 0.00 0.00 0.00 175.10 175.44 3hfa s ALA 125 N 0.54 1.85 -0.00 5.51 0.00 -0.62 -0.18 121.76 128.85 3hfa s ALA 125 Ca -0.06 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.61 3hfa s ALA 125 Cb -0.15 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.74 3hfa s ALA 125 CO 0.03 0.34 0.01 -2.00 0.00 0.00 0.00 175.76 174.14 3hfa s GLU 126 N -2.07 -0.00 0.40 0.00 2.12 -0.34 -0.56 118.70 118.25 3hfa s GLU 126 Ca 0.08 0.04 0.08 0.00 0.36 0.00 0.00 54.97 55.52 3hfa s GLU 126 Cb -0.09 -0.06 -0.06 0.00 0.26 0.00 0.00 34.13 34.18 3hfa s GLU 126 CO 0.05 -0.04 0.14 0.14 -0.54 0.00 0.00 175.26 175.01 3hfa s VAL 127 N 0.23 2.35 0.77 3.70 -7.23 -0.80 -0.90 120.40 118.51 3hfa s VAL 127 Ca -0.02 -1.76 -0.14 0.00 -1.81 0.00 0.00 61.98 58.25 3hfa s VAL 127 Cb -0.03 -2.97 0.06 0.00 0.56 0.00 0.00 36.38 34.00 3hfa s VAL 127 CO -0.01 -0.03 1.19 0.00 -0.31 0.00 0.00 175.10 175.94 3hfa s ALA 128 N -2.59 2.01 0.60 1.32 0.00 -1.26 -4.87 121.76 116.97 3hfa s ALA 128 Ca 0.40 0.80 -0.16 0.00 0.00 0.00 0.00 51.96 52.99 3hfa s ALA 128 Cb 0.04 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 3hfa s ALA 128 CO 0.22 -2.03 1.06 -1.01 0.00 0.00 0.00 175.76 174.00 3hfa s HIS 129 N -2.15 2.96 -0.02 0.00 3.76 -1.26 -4.80 115.29 113.77 3hfa s HIS 129 Ca 0.72 1.51 -0.37 0.00 -0.15 0.00 0.00 55.06 56.77 3hfa s HIS 129 Cb -0.27 -3.02 -0.16 0.00 1.11 0.00 0.00 32.58 30.23 3hfa s HIS 129 CO 0.48 -1.16 1.50 0.98 -0.85 0.00 0.00 174.74 175.69 3hfa n TYR 130 N -2.04 1.75 -1.00 1.40 9.36 -1.26 -0.94 117.16 124.43 3hfa n TYR 130 Ca 0.09 0.56 -0.00 0.00 3.32 0.00 0.00 57.90 61.87 3hfa n TYR 130 Cb 0.53 -2.40 -0.00 0.00 -0.63 0.00 0.00 39.34 36.84 3hfa n TYR 130 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3hfa n GLY 131 N 3.15 0.47 3.76 2.98 0.00 -1.26 -5.03 105.19 109.25 3hfa n GLY 131 Ca 0.21 -0.06 -0.24 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 -0.26 2.72 -0.24 1.61 2.02 -0.11 -5.11 118.70 119.33 3hfa s GLU 132 Ca 0.00 -1.08 -0.06 0.00 0.02 0.00 0.00 54.97 53.85 3hfa s GLU 132 Cb 0.00 -2.48 -0.02 0.00 0.10 0.00 0.00 34.13 31.74 3hfa s GLU 132 CO 0.00 0.42 0.02 0.95 0.02 0.00 0.00 175.26 176.68 3hfa s THR 133 N -2.01 3.87 -0.29 3.63 -4.23 -1.26 -4.74 115.64 110.61 3hfa s THR 133 Ca 0.31 -0.36 -0.14 0.00 -1.18 0.00 0.00 61.69 60.32 3hfa s THR 133 Cb -0.08 -2.81 0.12 0.00 1.34 0.00 0.00 72.50 71.06 3hfa s THR 133 CO 0.23 0.35 0.78 -0.75 -0.54 0.00 0.00 174.62 174.69 3hfa s LYS 134 N 1.55 0.55 0.30 3.99 2.20 -1.26 -5.07 119.74 122.00 3hfa s LYS 134 Ca 0.06 1.10 -0.29 0.00 -0.36 0.00 0.00 55.97 56.47 3hfa s LYS 134 Cb -0.15 0.35 -0.13 0.00 -1.51 0.00 0.00 37.83 36.39 3hfa s LYS 134 CO 0.01 -0.14 1.36 0.54 -0.36 0.00 0.00 175.35 176.76 3hfa n ARG 135 N 4.54 2.14 -1.52 4.03 1.74 -1.26 -4.25 116.66 122.09 3hfa n ARG 135 Ca -0.16 0.76 -0.36 0.00 -0.77 0.00 0.00 57.85 57.31 3hfa n ARG 135 Cb 0.55 -2.39 0.08 0.00 -1.02 0.00 0.00 32.46 29.69 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 1.27 0.77 -5.09 5.56 -0.02 -1.26 -4.80 135.00 131.42 3hfa n PRO 136 Ca 0.08 0.32 -0.32 0.00 -2.02 0.00 0.00 63.50 61.55 3hfa n PRO 136 Cb 0.34 -2.34 -0.16 0.00 -0.02 0.00 0.00 33.50 31.33 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 -3.31 2.79 -0.12 -0.52 2.02 -0.08 -4.98 118.70 114.50 3hfa s GLU 137 Ca 0.77 -0.82 0.03 0.00 0.02 0.00 0.00 54.97 54.97 3hfa s GLU 137 Cb -0.37 -2.32 0.01 0.00 0.10 0.00 0.00 34.13 31.55 3hfa s GLU 137 CO 0.46 0.36 -0.20 -0.51 0.02 0.00 0.00 175.26 175.38 3hfa s LEU 138 N -0.08 1.99 -0.02 1.80 1.43 -1.23 -1.20 118.68 121.37 3hfa s LEU 138 Ca -0.05 -0.54 0.07 0.00 -1.03 0.00 0.00 54.13 52.58 3hfa s LEU 138 Cb -0.14 -1.32 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 3hfa s LEU 138 CO 0.04 0.08 -0.22 -0.31 0.23 0.00 0.00 176.35 176.18 3hfa s TYR 139 N 0.76 2.47 -0.15 0.29 2.02 0.74 -0.46 117.35 123.02 3hfa s TYR 139 Ca -0.10 -0.33 0.01 0.00 -0.37 0.00 0.00 57.07 56.29 3hfa s TYR 139 Cb -0.16 -1.53 0.01 0.00 -0.40 0.00 0.00 41.96 39.88 3hfa s TYR 139 CO 0.01 0.07 -0.19 0.50 -1.57 0.00 0.00 175.55 174.37 3hfa s ARG 140 N -0.78 3.11 -0.16 -0.62 3.00 0.50 -1.19 118.95 122.81 3hfa s ARG 140 Ca 0.11 -0.80 -0.00 0.00 -1.00 0.00 0.00 55.73 54.04 3hfa s ARG 140 Cb -0.10 -2.54 -0.00 0.00 0.00 0.00 0.00 34.95 32.31 3hfa s ARG 140 CO 0.00 -0.02 -0.14 0.42 0.00 0.00 0.00 175.30 175.56 3hfa s ILE 141 N 0.87 2.73 0.55 4.11 1.09 0.74 -1.60 121.20 129.68 3hfa s ILE 141 Ca -0.05 -0.75 0.09 0.00 -1.10 0.00 0.00 60.65 58.85 3hfa s ILE 141 Cb -0.15 -2.16 0.08 0.00 -1.06 0.00 0.00 42.46 39.16 3hfa s ILE 141 CO -0.02 0.51 0.75 0.42 -0.10 0.00 0.00 174.94 176.50 3hfa s THR 142 N 0.85 2.25 0.59 2.92 -4.23 -0.49 -0.78 115.64 116.74 3hfa s THR 142 Ca -0.04 -1.01 0.39 0.00 -1.18 0.00 0.00 61.69 59.84 3hfa s THR 142 Cb -0.15 -2.26 0.41 0.00 1.34 0.00 0.00 72.50 71.83 3hfa s THR 142 CO -0.00 0.00 2.30 0.10 -0.54 0.00 0.00 174.62 176.47 3hfa h TYR 143 N 0.26 0.00 -0.39 3.99 -0.00 -1.86 -0.93 116.97 118.04 3hfa h TYR 143 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.42 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 0.01 0.00 -0.40 -0.00 0.00 0.00 178.16 178.21 3hfa n ASP 144 N -3.32 3.49 0.00 0.10 5.75 -1.26 -4.54 116.55 116.77 3hfa n ASP 144 Ca -0.03 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 3hfa n ASP 144 Cb 0.10 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 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 1.51 0.68 3.76 6.12 0.00 -0.35 -4.08 105.19 112.82 3hfa n GLY 145 Ca 0.19 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 -2.98 5.82 0.01 1.61 0.01 -1.26 -4.64 113.70 112.28 3hfa s SER 146 Ca 0.00 2.76 0.02 0.00 1.31 0.00 0.00 55.95 60.04 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 -1.20 -0.05 -0.51 0.41 0.00 0.00 173.24 171.89 3hfa s ILE 147 N -1.28 0.40 -0.11 1.44 2.07 -1.26 -1.40 121.20 121.06 3hfa s ILE 147 Ca 0.63 -0.50 -0.09 0.00 -1.41 0.00 0.00 60.65 59.28 3hfa s ILE 147 Cb -0.40 -0.39 0.03 0.00 0.13 0.00 0.00 42.46 41.83 3hfa s ILE 147 CO 0.50 -0.08 0.28 0.00 -1.91 0.00 0.00 174.94 173.74 3hfa s ALA 148 N -0.57 -0.70 -0.11 1.50 0.00 -0.63 -4.99 121.76 116.26 3hfa s ALA 148 Ca -0.03 0.89 -0.10 0.00 0.00 0.00 0.00 51.96 52.72 3hfa s ALA 148 Cb -0.05 -0.53 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 3hfa s ALA 148 CO -0.00 -0.16 0.23 0.16 0.00 0.00 0.00 175.76 175.99 3hfa s ASP 149 N 0.45 6.48 0.03 0.00 1.47 -1.26 -0.37 116.67 123.46 3hfa s ASP 149 Ca -0.02 0.57 0.06 0.00 1.18 0.00 0.00 52.55 54.33 3hfa s ASP 149 Cb -0.04 -2.13 -0.03 0.00 -0.34 0.00 0.00 42.92 40.37 3hfa s ASP 149 CO -0.02 0.31 -0.14 -1.61 0.68 0.00 0.00 175.17 174.39 3hfa s GLU 150 N -0.62 2.24 0.03 2.11 0.41 0.39 -4.99 118.70 118.27 3hfa s GLU 150 Ca 0.17 -0.89 -0.16 0.00 -0.41 0.00 0.00 54.97 53.68 3hfa s GLU 150 Cb -0.13 -2.30 -0.32 0.00 -1.78 0.00 0.00 34.13 29.60 3hfa s GLU 150 CO 0.06 0.56 1.04 -1.35 -0.49 0.00 0.00 175.26 175.08 3hfa h PRO 151 N 4.53 0.56 0.00 0.39 0.11 -1.94 -3.25 132.00 132.40 3hfa h PRO 151 Ca -0.48 -0.85 -0.01 0.00 0.11 0.00 0.00 66.00 64.77 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 0.50 1.40 -1.04 0.72 -0.21 0.00 0.00 178.00 179.37 3hfa n HIS 152 N -3.80 0.00 -3.54 0.65 8.25 -1.26 -4.84 115.22 110.67 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 1.02 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 32.07 3hfa n HIS 152 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 3hfa s PHE 153 N -2.01 -0.36 -0.03 4.41 -0.12 -1.26 -1.28 117.98 117.33 3hfa s PHE 153 Ca -0.01 0.08 0.03 0.00 -0.05 0.00 0.00 56.93 56.98 3hfa s PHE 153 Cb 0.00 0.42 0.00 0.00 -0.63 0.00 0.00 43.02 42.82 3hfa s PHE 153 CO 0.01 -0.80 -0.09 0.08 -0.05 0.00 0.00 175.22 174.37 3hfa s VAL 154 N -3.79 0.83 -0.06 -2.49 1.01 0.12 -4.89 120.40 111.13 3hfa s VAL 154 Ca 0.03 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.67 3hfa s VAL 154 Cb 0.00 -0.74 -0.00 0.00 0.00 0.00 0.00 36.38 35.64 3hfa s VAL 154 CO -0.11 0.26 -0.21 -0.69 0.00 0.00 0.00 175.10 174.34 3hfa s VAL 155 N 0.22 1.77 0.01 2.92 1.01 -1.26 -1.04 120.40 124.03 3hfa s VAL 155 Ca -0.04 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.06 3hfa s VAL 155 Cb -0.09 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 3hfa s VAL 155 CO 0.01 0.50 -0.02 -0.04 0.00 0.00 0.00 175.10 175.54 3hfa s MET 156 N 0.11 0.20 0.00 2.72 -1.94 0.05 -5.00 119.30 115.44 3hfa s MET 156 Ca -0.09 -0.39 0.00 0.00 -1.71 0.00 0.00 55.69 53.50 3hfa s MET 156 Cb -0.14 0.07 0.00 0.00 2.01 0.00 0.00 34.83 36.77 3hfa s MET 156 CO 0.05 -0.03 0.00 0.41 -0.01 0.00 0.00 175.02 175.43 3hfa n GLY 157 N 2.13 -1.71 7.00 -0.03 0.00 -1.26 -0.59 105.19 110.73 3hfa n GLY 157 Ca -0.20 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.81 0.98 3.48 -0.02 0.00 -0.31 -4.20 105.19 104.31 3hfa n GLY 158 Ca 0.00 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 3hfa n GLY 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hfa s THR 159 N 0.00 4.38 -0.20 2.61 -4.23 -1.26 -4.53 115.64 112.40 3hfa s THR 159 Ca 0.00 -0.14 0.18 0.00 -1.18 0.00 0.00 61.69 60.54 3hfa s THR 159 Cb 0.00 -4.61 0.05 0.00 1.34 0.00 0.00 72.50 69.28 3hfa s THR 159 CO 0.00 -1.30 1.26 0.71 -0.54 0.00 0.00 174.62 174.75 3hfa h THR 160 N 5.98 0.52 0.17 3.99 1.35 -1.95 -3.39 112.91 119.57 3hfa h THR 160 Ca -0.28 -1.80 0.02 0.00 -0.55 0.00 0.00 66.41 63.79 3hfa h THR 160 Cb 1.07 2.13 -0.04 0.00 -1.73 0.00 0.00 68.15 69.59 3hfa h THR 160 CO 1.14 0.29 -0.38 -0.08 -0.25 0.00 0.00 175.52 176.24 3hfa h GLU 161 N 0.00 -0.62 -0.94 4.72 4.57 -1.95 0.15 114.58 120.51 3hfa h GLU 161 Ca -0.04 0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 3hfa h GLU 161 Cb 1.32 0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 30.00 3hfa h GLU 161 CO 0.04 -0.41 0.62 -1.35 -1.18 0.00 0.00 179.01 176.72 3hfa h PRO 162 N -0.65 1.19 -0.29 0.92 0.11 -1.84 -1.58 132.00 129.87 3hfa h PRO 162 Ca 0.02 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 3hfa h PRO 162 Cb 0.65 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 3hfa h PRO 162 CO -0.19 0.79 0.08 0.82 -0.21 0.00 0.00 178.00 179.28 3hfa h ILE 163 N 1.22 1.21 -0.21 4.15 2.04 -1.57 0.12 117.51 124.48 3hfa h ILE 163 Ca 0.36 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3hfa h ILE 163 Cb -0.06 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3hfa h ILE 163 CO -0.10 0.23 0.14 0.00 0.00 0.00 0.00 178.15 178.42 3hfa h ALA 164 N 0.91 0.26 0.13 1.87 0.00 -0.36 -1.06 119.26 121.01 3hfa h ALA 164 Ca 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3hfa h ALA 164 Cb 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3hfa h ALA 164 CO 0.00 -0.26 -0.06 -0.91 0.00 0.00 0.00 179.25 178.02 3hfa h ASN 165 N 0.28 -0.15 -0.77 0.00 2.35 -1.24 0.56 115.58 116.62 3hfa h ASN 165 Ca 0.08 -0.15 0.22 0.00 -0.55 0.00 0.00 56.30 55.90 3hfa h ASN 165 Cb -0.03 0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 3hfa h ASN 165 CO -0.02 0.06 0.66 0.00 -1.65 0.00 0.00 177.43 176.49 3hfa h ALA 166 N 0.49 2.61 0.12 -0.83 0.00 -0.62 0.16 119.26 121.20 3hfa h ALA 166 Ca -0.02 -0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.52 3hfa h ALA 166 Cb 0.29 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3hfa h ALA 166 CO 0.03 -1.06 -1.83 -0.07 0.00 0.00 0.00 179.25 176.33 3hfa h LEU 167 N 0.00 0.39 -1.05 0.00 3.38 -0.42 -3.15 115.31 114.45 3hfa h LEU 167 Ca 0.36 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3hfa h LEU 167 Cb 1.69 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.31 3hfa h LEU 167 CO -0.00 1.64 0.00 0.50 0.09 0.00 0.00 178.44 180.67 3hfa h LYS 168 N 0.07 0.00 0.04 1.13 3.64 0.28 0.23 116.57 121.95 3hfa h LYS 168 Ca -0.36 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 58.67 3hfa h LYS 168 Cb 2.04 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.81 3hfa h LYS 168 CO 0.12 0.00 -2.12 -1.91 -2.27 0.00 0.00 179.45 173.26 3hfa n GLU 169 N -2.44 0.69 0.00 1.90 4.07 -0.02 -4.52 120.64 120.31 3hfa n GLU 169 Ca 0.01 0.18 0.07 0.00 -0.06 0.00 0.00 57.16 57.36 3hfa n GLU 169 Cb 0.21 -1.64 -0.04 0.00 -0.06 0.00 0.00 31.44 29.91 3hfa n GLU 169 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 3hfa n SER 170 N -3.15 1.10 -4.69 4.31 3.41 -1.07 -4.99 113.62 108.54 3hfa n SER 170 Ca -0.32 -1.05 -0.42 0.00 -0.26 0.00 0.00 58.87 56.82 3hfa n SER 170 Cb 1.06 0.71 -0.03 0.00 -0.26 0.00 0.00 64.21 65.70 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 -1.97 2.84 -0.09 7.33 5.04 0.77 -5.00 117.35 126.27 3hfa s TYR 171 Ca 0.09 0.75 0.04 0.00 -2.44 0.00 0.00 57.07 55.51 3hfa s TYR 171 Cb 0.11 -3.72 -0.01 0.00 0.35 0.00 0.00 41.96 38.69 3hfa s TYR 171 CO 0.45 -2.68 -0.22 0.00 -1.34 0.00 0.00 175.55 171.76 3hfa s ALA 172 N 2.23 2.29 0.35 3.97 0.00 -1.26 -5.01 121.76 124.33 3hfa s ALA 172 Ca 0.66 -0.98 -0.28 0.00 0.00 0.00 0.00 51.96 51.35 3hfa s ALA 172 Cb -0.34 -0.85 -0.11 0.00 0.00 0.00 0.00 23.12 21.83 3hfa s ALA 172 CO 0.28 0.35 1.44 -2.00 0.00 0.00 0.00 175.76 175.83 3hfa s GLU 173 N 0.08 4.19 -1.38 0.00 2.12 -1.26 -3.37 118.70 119.08 3hfa s GLU 173 Ca -0.10 2.46 0.00 0.00 0.36 0.00 0.00 54.97 57.69 3hfa s GLU 173 Cb -0.16 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.23 3hfa s GLU 173 CO 0.06 -0.43 0.00 0.09 -0.54 0.00 0.00 175.26 174.43 3hfa n ASN 174 N 0.72 -4.72 -4.73 -1.70 3.02 -1.26 -4.98 115.26 101.61 3hfa n ASN 174 Ca 0.01 0.03 -0.31 0.00 -0.03 0.00 0.00 54.58 54.28 3hfa n ASN 174 Cb 0.40 -3.82 0.12 0.00 -0.61 0.00 0.00 39.78 35.87 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 -2.76 1.96 0.88 5.41 0.00 -1.22 -4.17 121.76 121.86 3hfa s ALA 175 Ca 0.00 0.44 -0.12 0.00 0.00 0.00 0.00 51.96 52.28 3hfa s ALA 175 Cb 0.00 -3.35 0.12 0.00 0.00 0.00 0.00 23.12 19.88 3hfa s ALA 175 CO 0.00 -2.14 1.10 -1.54 0.00 0.00 0.00 175.76 173.18 3hfa s SER 176 N -3.01 3.74 0.13 0.00 1.04 -1.26 -0.44 113.70 113.90 3hfa s SER 176 Ca 0.64 1.31 -0.19 0.00 0.48 0.00 0.00 55.95 58.19 3hfa s SER 176 Cb -0.20 -1.99 -0.02 0.00 0.10 0.00 0.00 66.02 63.91 3hfa s SER 176 CO 0.56 -2.45 1.73 0.25 0.98 0.00 0.00 173.24 174.30 3hfa h LEU 177 N -1.42 -0.05 -0.29 2.42 5.85 -1.98 0.15 115.31 119.99 3hfa h LEU 177 Ca -0.49 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.27 3hfa h LEU 177 Cb 1.29 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.38 3hfa h LEU 177 CO 0.58 0.01 0.18 0.74 -0.34 0.00 0.00 178.44 179.60 3hfa h THR 178 N 0.10 1.10 -0.45 1.05 2.02 -1.93 0.71 112.91 115.51 3hfa h THR 178 Ca 0.11 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 3hfa h THR 178 Cb 0.12 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3hfa h THR 178 CO -0.16 0.10 0.19 0.44 0.37 0.00 0.00 175.52 176.46 3hfa h ASP 179 N 0.38 0.62 -0.42 4.18 3.32 -1.87 -1.80 116.42 120.83 3hfa h ASP 179 Ca 0.11 -0.16 0.01 0.00 0.02 0.00 0.00 57.03 57.00 3hfa h ASP 179 Cb 0.01 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3hfa h ASP 179 CO -0.02 0.61 0.26 0.00 -1.72 0.00 0.00 179.24 178.38 3hfa h ALA 180 N 1.03 0.53 -0.23 3.45 0.00 -0.42 -0.60 119.26 123.04 3hfa h ALA 180 Ca 0.15 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3hfa h ALA 180 Cb 0.18 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3hfa h ALA 180 CO -0.01 -0.04 0.07 1.25 0.00 0.00 0.00 179.25 180.52 3hfa h LEU 181 N 0.54 0.08 -0.18 0.00 5.85 -0.68 -0.30 115.31 120.62 3hfa h LEU 181 Ca 0.16 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 3hfa h LEU 181 Cb -0.03 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3hfa h LEU 181 CO -0.05 0.08 0.05 0.03 -0.34 0.00 0.00 178.44 178.21 3hfa h ARG 182 N 0.18 0.28 -0.65 1.25 3.08 -1.07 0.99 114.38 118.44 3hfa h ARG 182 Ca 0.10 -0.06 0.14 0.00 0.07 0.00 0.00 59.98 60.22 3hfa h ARG 182 Cb 0.07 -0.04 -0.11 0.00 0.08 0.00 0.00 29.97 29.97 3hfa h ARG 182 CO -0.10 0.40 0.02 0.82 -1.07 0.00 0.00 179.97 180.03 3hfa h ILE 183 N 0.11 0.47 0.03 2.04 2.04 -0.92 0.36 117.51 121.65 3hfa h ILE 183 Ca 0.06 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 3hfa h ILE 183 Cb 0.23 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3hfa h ILE 183 CO -0.00 0.02 -0.02 0.00 0.00 0.00 0.00 178.15 178.16 3hfa h ALA 184 N 1.59 -0.04 -0.94 1.87 0.00 -0.66 -0.75 119.26 120.32 3hfa h ALA 184 Ca 0.35 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3hfa h ALA 184 Cb 0.57 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 3hfa h ALA 184 CO -0.55 -0.36 0.62 0.28 0.00 0.00 0.00 179.25 179.24 3hfa h VAL 185 N -0.38 1.16 0.13 0.00 2.07 -0.47 -0.88 116.25 117.87 3hfa h VAL 185 Ca -0.00 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 3hfa h VAL 185 Cb 0.36 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 3hfa h VAL 185 CO 0.01 0.22 -0.06 0.00 0.02 0.00 0.00 177.57 177.75 3hfa h ALA 186 N 1.45 -0.18 -0.84 1.67 0.00 -0.85 -2.17 119.26 118.35 3hfa h ALA 186 Ca 0.38 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 55.29 3hfa h ALA 186 Cb 0.02 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 3hfa h ALA 186 CO -0.12 -0.46 0.55 0.00 0.00 0.00 0.00 179.25 179.22 3hfa h ALA 187 N 0.37 2.02 -0.47 0.00 0.00 -0.80 0.06 119.26 120.44 3hfa h ALA 187 Ca -0.02 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3hfa h ALA 187 Cb 0.36 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3hfa h ALA 187 CO 0.03 -0.25 -0.13 1.25 0.00 0.00 0.00 179.25 180.15 3hfa h LEU 188 N 0.52 0.88 -0.40 0.00 5.85 -0.91 -3.14 115.31 118.10 3hfa h LEU 188 Ca 0.42 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.91 3hfa h LEU 188 Cb 0.86 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 3hfa h LEU 188 CO -0.16 1.01 0.11 0.03 -0.34 0.00 0.00 178.44 179.09 3hfa h ARG 189 N 0.78 0.24 -0.19 1.25 3.08 -0.33 -3.48 114.38 115.74 3hfa h ARG 189 Ca 0.12 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3hfa h ARG 189 Cb 0.65 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3hfa h ARG 189 CO 0.05 0.16 0.00 0.00 -1.07 0.00 0.00 179.97 179.11 3hfa n ALA 190 N -2.41 0.22 0.00 0.04 0.00 -1.19 -5.09 120.51 112.08 3hfa n ALA 190 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3hfa n ALA 190 Cb 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 0.18 0.00 0.00 0.00 4.77 -1.26 -4.12 117.00 116.57 3hfa n LEU 203 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 3hfa n LEU 203 Cb 0.00 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 3hfa n LEU 203 CO 0.00 0.00 0.17 0.61 -1.33 0.00 0.00 177.39 176.84 3hfa n GLY 204 N 0.00 1.60 0.42 -0.72 0.00 -1.26 -4.92 105.19 100.30 3hfa n GLY 204 Ca 0.00 -2.12 0.22 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.10 0.66 0.00 1.61 2.07 -1.94 -1.33 116.25 117.22 3hfa h VAL 205 Ca -0.11 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3hfa h VAL 205 Cb 0.49 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3hfa h VAL 205 CO 0.15 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.77 3hfa h ALA 206 N 1.62 1.00 0.00 1.67 0.00 -1.93 -3.16 119.26 118.47 3hfa h ALA 206 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3hfa h ALA 206 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3hfa h ALA 206 CO -0.08 0.00 -0.01 -1.13 0.00 0.00 0.00 179.25 178.03 3hfa n SER 207 N -2.40 1.82 -4.28 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 -0.06 -0.15 0.00 -0.26 0.00 0.00 64.21 64.08 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 -1.13 2.10 -0.20 1.04 1.43 -1.02 -0.82 118.68 120.08 3hfa s LEU 208 Ca 0.04 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.63 3hfa s LEU 208 Cb 0.04 -1.17 -0.01 0.00 0.03 0.00 0.00 46.19 45.08 3hfa s LEU 208 CO 0.00 0.25 -0.06 -0.70 0.23 0.00 0.00 176.35 176.08 3hfa s GLU 209 N -0.85 3.41 -0.00 1.70 2.12 -0.29 -4.78 118.70 120.01 3hfa s GLU 209 Ca 0.09 -0.62 0.05 0.00 0.36 0.00 0.00 54.97 54.85 3hfa s GLU 209 Cb -0.09 -2.94 -0.01 0.00 0.26 0.00 0.00 34.13 31.34 3hfa s GLU 209 CO 0.00 -0.09 -0.16 0.08 -0.54 0.00 0.00 175.26 174.55 3hfa s VAL 210 N 1.19 1.26 0.16 3.70 1.01 -1.26 -1.49 120.40 124.97 3hfa s VAL 210 Ca 0.02 -0.75 -0.20 0.00 0.00 0.00 0.00 61.98 61.04 3hfa s VAL 210 Cb -0.14 -1.07 0.05 0.00 0.00 0.00 0.00 36.38 35.22 3hfa s VAL 210 CO -0.01 0.30 0.55 0.00 0.00 0.00 0.00 175.10 175.93 3hfa s ALA 211 N -0.46 -1.33 0.11 5.51 0.00 -0.92 -1.46 121.76 123.20 3hfa s ALA 211 Ca 0.06 0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.28 3hfa s ALA 211 Cb -0.06 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 3hfa s ALA 211 CO -0.00 -0.76 -0.11 0.14 0.00 0.00 0.00 175.76 175.03 3hfa s VAL 212 N -3.79 1.05 -0.54 0.00 -7.23 -0.10 -0.51 120.40 109.27 3hfa s VAL 212 Ca 0.03 -1.68 -0.18 0.00 -1.81 0.00 0.00 61.98 58.34 3hfa s VAL 212 Cb -0.01 -1.43 0.08 0.00 0.56 0.00 0.00 36.38 35.59 3hfa s VAL 212 CO -0.10 -0.53 0.62 -0.76 -0.31 0.00 0.00 175.10 174.02 3hfa s LEU 213 N -2.48 5.32 -0.56 1.32 1.43 0.31 -1.37 118.68 122.65 3hfa s LEU 213 Ca 0.07 -1.25 -0.21 0.00 -1.03 0.00 0.00 54.13 51.71 3hfa s LEU 213 Cb -0.03 -2.34 0.06 0.00 0.03 0.00 0.00 46.19 43.92 3hfa s LEU 213 CO 0.01 -0.96 0.77 -0.62 0.23 0.00 0.00 176.35 175.78 3hfa s ASP 214 N 3.16 6.23 0.13 2.29 2.15 0.75 -1.89 116.67 129.49 3hfa s ASP 214 Ca 0.11 -0.90 0.12 0.00 0.43 0.00 0.00 52.55 52.32 3hfa s ASP 214 Cb -0.23 -2.35 0.59 0.00 -0.30 0.00 0.00 42.92 40.64 3hfa s ASP 214 CO 0.08 -1.10 1.38 0.00 -0.17 0.00 0.00 175.17 175.35 3hfa n ALA 215 N 6.76 1.23 0.79 3.66 0.00 -0.43 -1.48 120.51 131.04 3hfa n ALA 215 Ca -0.05 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.58 3hfa n ALA 215 Cb 0.45 -1.19 0.38 0.00 0.00 0.00 0.00 19.45 19.09 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 -1.83 0.50 -4.77 0.00 2.85 -1.26 -4.41 115.26 106.34 3hfa n ASN 216 Ca 0.01 0.30 -0.37 0.00 -0.11 0.00 0.00 54.58 54.40 3hfa n ASN 216 Cb 0.07 -0.29 -0.03 0.00 1.24 0.00 0.00 39.78 40.77 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 -3.07 4.04 0.05 1.20 1.81 -0.55 -4.98 118.95 117.44 3hfa s ARG 217 Ca 0.11 1.67 -0.25 0.00 -1.72 0.00 0.00 55.73 55.54 3hfa s ARG 217 Cb 0.15 -2.56 -0.17 0.00 -0.45 0.00 0.00 34.95 31.93 3hfa s ARG 217 CO 0.63 -0.29 1.53 -1.35 -0.68 0.00 0.00 175.30 175.14 3hfa h PRO 218 N 2.45 -0.13 0.00 3.54 0.11 -1.89 -3.39 132.00 132.68 3hfa h PRO 218 Ca -0.49 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hfa h PRO 218 Cb 1.23 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3hfa h PRO 218 CO 0.62 0.07 0.00 -2.13 -0.21 0.00 0.00 178.00 176.35 3hfa n ARG 219 N -5.07 0.00 -2.74 1.05 0.63 -1.26 -4.35 116.66 104.92 3hfa n ARG 219 Ca -0.08 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.42 3hfa n ARG 219 Cb 0.15 -0.11 -0.03 0.00 0.45 0.00 0.00 32.46 32.91 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 -1.28 3.37 0.40 -0.14 0.52 -1.26 -4.40 118.95 116.15 3hfa s ARG 220 Ca 0.00 -0.13 0.22 0.00 -0.52 0.00 0.00 55.73 55.30 3hfa s ARG 220 Cb 0.00 -4.06 0.44 0.00 0.52 0.00 0.00 34.95 31.86 3hfa s ARG 220 CO 0.00 -1.61 1.63 0.00 0.02 0.00 0.00 175.30 175.34 3hfa h ALA 221 N 9.45 0.90 -2.43 2.13 0.00 -1.20 -3.45 119.26 124.65 3hfa h ALA 221 Ca -0.26 -0.18 -0.54 0.00 0.00 0.00 0.00 54.91 53.93 3hfa h ALA 221 Cb 1.07 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3hfa h ALA 221 CO 1.14 0.25 0.64 0.12 0.00 0.00 0.00 179.25 181.39 3hfa s PHE 222 N -3.24 3.29 -0.14 0.00 5.36 -1.26 -0.18 117.98 121.82 3hfa s PHE 222 Ca 0.04 1.20 -0.10 0.00 -0.96 0.00 0.00 56.93 57.11 3hfa s PHE 222 Cb 0.07 -3.47 0.04 0.00 -0.34 0.00 0.00 43.02 39.33 3hfa s PHE 222 CO 0.68 -1.49 0.35 -0.98 -1.46 0.00 0.00 175.22 172.31 3hfa s ARG 223 N 1.52 0.38 0.36 10.12 1.70 -0.47 -4.96 118.95 127.60 3hfa s ARG 223 Ca 0.59 0.57 -0.19 0.00 -0.47 0.00 0.00 55.73 56.24 3hfa s ARG 223 Cb -0.29 0.09 -0.10 0.00 -0.57 0.00 0.00 34.95 34.09 3hfa s ARG 223 CO 0.27 -0.09 0.84 1.03 -1.08 0.00 0.00 175.30 176.27 3hfa s ARG 224 N 0.66 4.15 -0.28 3.89 0.52 -1.26 -0.92 118.95 125.71 3hfa s ARG 224 Ca -0.04 0.91 0.02 0.00 -0.52 0.00 0.00 55.73 56.10 3hfa s ARG 224 Cb -0.05 -2.38 0.06 0.00 0.52 0.00 0.00 34.95 33.10 3hfa s ARG 224 CO -0.04 0.10 -0.07 0.42 0.02 0.00 0.00 175.30 175.73 3hfa s ILE 225 N -2.01 2.43 0.24 1.52 1.01 -0.54 -4.93 121.20 118.92 3hfa s ILE 225 Ca 0.56 -1.61 0.02 0.00 0.00 0.00 0.00 60.65 59.63 3hfa s ILE 225 Cb -0.11 -2.44 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 3hfa s ILE 225 CO 0.16 -0.09 0.03 0.42 0.00 0.00 0.00 174.94 175.47 3hfa s THR 226 N 1.14 0.83 0.00 2.92 -4.23 -1.26 -4.26 115.64 110.77 3hfa s THR 226 Ca -0.07 -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 -0.04 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 3hfa n GLY 227 N -0.42 3.04 0.25 3.99 0.00 -1.26 -2.52 105.19 108.27 3hfa n GLY 227 Ca -0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 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 0.34 0.48 -0.97 1.61 4.64 -1.99 -0.77 113.55 116.90 3hfa h SER 228 Ca 0.00 0.03 0.06 0.00 -0.47 0.00 0.00 61.79 61.41 3hfa h SER 228 Cb 0.00 -0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 61.97 3hfa h SER 228 CO 0.00 0.31 0.62 0.00 -0.87 0.00 0.00 176.83 176.90 3hfa h ALA 229 N 1.34 1.33 -0.11 5.18 0.00 -1.90 -2.02 119.26 123.09 3hfa h ALA 229 Ca 0.29 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.99 3hfa h ALA 229 Cb 0.20 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3hfa h ALA 229 CO -0.19 0.42 -0.70 1.25 0.00 0.00 0.00 179.25 180.03 3hfa h LEU 230 N 1.14 0.55 0.05 0.00 5.85 -1.09 -3.25 115.31 118.56 3hfa h LEU 230 Ca 0.41 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 3hfa h LEU 230 Cb 0.14 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.01 3hfa h LEU 230 CO -0.17 1.08 -0.02 -0.61 -0.34 0.00 0.00 178.44 178.38 3hfa h GLN 231 N 0.33 -0.06 0.00 1.25 5.75 -0.59 -1.74 115.11 120.05 3hfa h GLN 231 Ca -0.02 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3hfa h GLN 231 Cb 1.27 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.83 3hfa h GLN 231 CO 0.12 -0.03 0.11 0.00 -2.65 0.00 0.00 178.83 176.39 3hfa h ALA 232 N 0.87 1.09 0.00 3.38 0.00 -1.42 -1.28 119.26 121.90 3hfa h ALA 232 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.61 3hfa h ALA 232 Cb 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 3hfa h ALA 232 CO 0.01 -0.09 -1.84 1.28 0.00 0.00 0.00 179.25 178.61 3hfa n LEU 233 N -2.42 0.65 0.00 0.00 4.32 -0.69 -5.13 117.00 113.74 3hfa n LEU 233 Ca -0.02 0.31 0.13 0.00 -0.02 0.00 0.00 56.01 56.40 3hfa n LEU 233 Cb 0.15 0.24 0.74 0.00 -1.62 0.00 0.00 43.42 42.93 3hfa n LEU 233 CO 0.11 0.38 0.92 0.18 -1.22 0.00 0.00 177.39 177.76