#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 0.92 -0.51 3.17 4.57 -2.05 -2.49 114.58 118.19 3hfa h GLU 10 Ca 0.00 -0.14 -0.06 0.00 -1.18 0.00 0.00 59.36 57.98 3hfa h GLU 10 Cb 0.00 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.41 3hfa h GLU 10 CO 0.00 0.74 0.07 0.37 -1.18 0.00 0.00 179.01 179.02 3hfa h GLN 11 N 0.88 0.84 -0.47 1.92 5.75 -2.05 -1.94 115.11 120.04 3hfa h GLN 11 Ca 0.22 -0.23 -0.03 0.00 -0.15 0.00 0.00 58.65 58.45 3hfa h GLN 11 Cb 0.13 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 3hfa h GLN 11 CO -0.03 0.84 0.17 0.00 -2.65 0.00 0.00 178.83 177.17 3hfa h ALA 12 N 0.97 0.62 -0.56 3.38 0.00 -1.96 0.54 119.26 122.25 3hfa h ALA 12 Ca 0.15 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3hfa h ALA 12 Cb 0.41 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3hfa h ALA 12 CO 0.01 0.25 0.05 0.52 0.00 0.00 0.00 179.25 180.08 3hfa h MET 13 N 0.63 0.92 -0.73 0.00 2.86 -1.46 -1.39 114.93 115.76 3hfa h MET 13 Ca 0.16 -0.24 -0.05 0.00 -2.06 0.00 0.00 59.70 57.50 3hfa h MET 13 Cb 0.23 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 3hfa h MET 13 CO -0.01 0.88 0.24 -0.09 1.06 0.00 0.00 176.91 178.99 3hfa h ARG 14 N 0.86 1.12 -0.12 1.72 2.43 -0.94 -0.62 114.38 118.82 3hfa h ARG 14 Ca 0.17 -0.23 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 3hfa h ARG 14 Cb 0.43 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3hfa h ARG 14 CO 0.01 0.94 -0.02 0.93 -1.51 0.00 0.00 179.97 180.32 3hfa h GLU 15 N 1.08 0.22 -0.52 0.20 5.08 -0.53 -1.31 114.58 118.79 3hfa h GLU 15 Ca 0.24 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 3hfa h GLU 15 Cb 0.28 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 3hfa h GLU 15 CO -0.01 0.51 0.25 0.00 -1.00 0.00 0.00 179.01 178.76 3hfa h ARG 16 N -0.08 0.73 -0.26 2.33 3.08 -1.18 -0.40 114.38 118.60 3hfa h ARG 16 Ca 0.03 -0.09 -0.17 0.00 0.07 0.00 0.00 59.98 59.82 3hfa h ARG 16 Cb 0.42 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 3hfa h ARG 16 CO 0.01 0.57 -0.52 1.03 -1.07 0.00 0.00 179.97 179.98 3hfa h SER 17 N 0.73 0.83 0.50 7.04 0.87 -1.00 -2.54 113.55 119.97 3hfa h SER 17 Ca 0.18 -0.43 -0.16 0.00 -1.23 0.00 0.00 61.79 60.15 3hfa h SER 17 Cb 0.08 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 3hfa h SER 17 CO -0.02 1.19 -0.70 -0.08 -0.53 0.00 0.00 176.83 176.69 3hfa h GLU 18 N 0.58 0.17 -0.39 2.24 4.57 -0.77 -0.54 114.58 120.44 3hfa h GLU 18 Ca 0.02 -0.14 -0.14 0.00 -1.18 0.00 0.00 59.36 57.92 3hfa h GLU 18 Cb 1.10 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 3hfa h GLU 18 CO 0.11 0.81 -0.29 1.25 -1.18 0.00 0.00 179.01 179.71 3hfa h LEU 19 N 0.12 0.93 -0.11 1.64 6.46 -1.05 -0.44 115.31 122.87 3hfa h LEU 19 Ca -0.02 -0.44 -0.17 0.00 -0.12 0.00 0.00 57.88 57.14 3hfa h LEU 19 Cb 1.25 -0.26 0.01 0.00 -0.73 0.00 0.00 40.66 40.93 3hfa h LEU 19 CO 0.10 1.17 -0.58 0.00 -0.62 0.00 0.00 178.44 178.52 3hfa h ALA 20 N 0.79 0.21 -0.07 1.25 0.00 -1.42 -2.38 119.26 117.64 3hfa h ALA 20 Ca 0.08 -0.53 0.02 0.00 0.00 0.00 0.00 54.91 54.47 3hfa h ALA 20 Cb 0.87 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3hfa h ALA 20 CO 0.08 0.45 -0.07 -0.09 0.00 0.00 0.00 179.25 179.62 3hfa h ARG 21 N 0.21 -0.09 -0.49 0.00 2.43 -1.08 -1.49 114.38 113.87 3hfa h ARG 21 Ca -0.04 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3hfa h ARG 21 Cb 1.23 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.77 3hfa h ARG 21 CO 0.12 -0.06 0.30 0.87 -1.51 0.00 0.00 179.97 179.69 3hfa h LYS 22 N -0.09 0.58 -0.67 0.20 1.57 -1.11 0.12 116.57 117.16 3hfa h LYS 22 Ca 0.05 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3hfa h LYS 22 Cb 0.17 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3hfa h LYS 22 CO -0.13 0.38 0.42 0.78 -0.57 0.00 0.00 179.45 180.34 3hfa h GLY 23 N 0.60 0.97 0.88 3.86 0.00 -1.18 -1.81 103.07 106.39 3hfa h GLY 23 Ca 0.19 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 3hfa h GLY 23 CO -0.08 0.38 -0.07 -2.22 0.00 0.00 0.00 176.54 174.55 3hfa h ILE 24 N 0.91 1.28 0.00 2.60 2.04 -0.96 -2.72 117.51 120.67 3hfa h ILE 24 Ca 0.24 -1.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 3hfa h ILE 24 Cb -0.05 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 3hfa h ILE 24 CO -0.05 0.35 -0.00 0.00 0.00 0.00 0.00 178.15 178.45 3hfa h ALA 25 N 0.78 1.25 -0.00 1.87 0.00 -0.75 0.04 119.26 122.45 3hfa h ALA 25 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hfa h ALA 25 Cb 0.56 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hfa h ALA 25 CO 0.03 0.00 -0.38 -2.13 0.00 0.00 0.00 179.25 176.77 3hfa n ARG 26 N -3.45 0.22 -2.54 0.00 0.63 -0.70 -3.78 116.66 107.04 3hfa n ARG 26 Ca -0.03 -0.12 -0.22 0.00 -0.92 0.00 0.00 57.85 56.56 3hfa n ARG 26 Cb 0.08 -1.50 0.04 0.00 0.45 0.00 0.00 32.46 31.54 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 -2.86 3.70 0.49 5.13 0.00 -0.13 -4.89 121.76 123.20 3hfa s ALA 27 Ca 0.15 -1.21 -0.20 0.00 0.00 0.00 0.00 51.96 50.71 3hfa s ALA 27 Cb 0.18 -2.22 -0.08 0.00 0.00 0.00 0.00 23.12 21.00 3hfa s ALA 27 CO 0.63 -0.87 1.02 0.15 0.00 0.00 0.00 175.76 176.69 3hfa s LYS 28 N -4.88 3.85 0.47 0.00 1.02 -1.26 -1.86 119.74 117.09 3hfa s LYS 28 Ca 0.58 1.25 -0.14 0.00 0.02 0.00 0.00 55.97 57.68 3hfa s LYS 28 Cb -0.10 -2.11 -0.07 0.00 -0.52 0.00 0.00 37.83 35.02 3hfa s LYS 28 CO 0.40 -0.37 0.90 -1.12 -0.92 0.00 0.00 175.35 174.23 3hfa s SER 29 N -2.21 6.57 -0.01 2.83 0.01 -1.26 -4.33 113.70 115.29 3hfa s SER 29 Ca 0.65 1.38 -0.04 0.00 1.31 0.00 0.00 55.95 59.25 3hfa s SER 29 Cb -0.14 -2.43 -0.00 0.00 0.21 0.00 0.00 66.02 63.66 3hfa s SER 29 CO 0.21 -0.52 0.09 -0.69 0.41 0.00 0.00 173.24 172.74 3hfa s VAL 30 N -2.54 0.06 0.00 3.43 1.01 0.54 -1.62 120.40 121.29 3hfa s VAL 30 Ca 0.56 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 62.04 3hfa s VAL 30 Cb -0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 3hfa s VAL 30 CO 0.32 -0.28 -0.05 0.68 0.00 0.00 0.00 175.10 175.77 3hfa s VAL 31 N -0.92 0.38 -0.06 2.92 -7.23 -0.14 -0.86 120.40 114.49 3hfa s VAL 31 Ca -0.10 -0.34 0.05 0.00 -1.81 0.00 0.00 61.98 59.78 3hfa s VAL 31 Cb -0.06 -0.35 -0.00 0.00 0.56 0.00 0.00 36.38 36.53 3hfa s VAL 31 CO 0.00 0.02 -0.21 0.00 -0.31 0.00 0.00 175.10 174.60 3hfa s ALA 32 N -0.32 1.90 -0.02 1.32 0.00 -0.32 -1.26 121.76 123.06 3hfa s ALA 32 Ca -0.00 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.12 3hfa s ALA 32 Cb -0.03 -0.65 -0.00 0.00 0.00 0.00 0.00 23.12 22.44 3hfa s ALA 32 CO -0.00 0.32 -0.12 -0.51 0.00 0.00 0.00 175.76 175.45 3hfa s LEU 33 N 0.10 1.88 0.03 0.00 1.02 -0.25 -0.86 118.68 120.61 3hfa s LEU 33 Ca -0.09 -0.23 -0.29 0.00 0.02 0.00 0.00 54.13 53.54 3hfa s LEU 33 Cb -0.14 -0.67 -0.04 0.00 0.02 0.00 0.00 46.19 45.36 3hfa s LEU 33 CO 0.05 0.11 0.94 0.00 0.02 0.00 0.00 176.35 177.46 3hfa s ALA 34 N 0.02 3.21 0.34 4.21 0.00 -0.40 -0.32 121.76 128.83 3hfa s ALA 34 Ca -0.01 0.51 0.06 0.00 0.00 0.00 0.00 51.96 52.51 3hfa s ALA 34 Cb -0.08 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 3hfa s ALA 34 CO 0.01 -0.14 0.22 1.52 0.00 0.00 0.00 175.76 177.37 3hfa s TYR 35 N 0.60 1.72 0.30 0.00 -0.85 0.73 -4.52 117.35 115.33 3hfa s TYR 35 Ca 0.48 -1.54 -0.01 0.00 -0.52 0.00 0.00 57.07 55.49 3hfa s TYR 35 Cb -0.21 -0.83 0.48 0.00 0.38 0.00 0.00 41.96 41.77 3hfa s TYR 35 CO 0.28 -0.69 1.93 0.00 -1.52 0.00 0.00 175.55 175.55 3hfa h ALA 36 N 2.07 1.46 -0.08 9.51 0.00 -1.57 -2.40 119.26 128.25 3hfa h ALA 36 Ca -0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3hfa h ALA 36 Cb 1.25 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3hfa h ALA 36 CO 0.43 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.54 3hfa n GLY 37 N -1.40 0.29 0.00 0.00 0.00 -1.26 -5.03 105.19 97.78 3hfa n GLY 37 Ca 0.12 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 1.20 0.44 3.07 -0.02 0.00 -0.90 -2.07 105.19 106.91 3hfa n GLY 38 Ca 0.18 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 1.02 -0.12 1.61 1.01 -0.61 -0.19 120.40 123.11 3hfa s VAL 39 Ca 0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 3hfa s VAL 39 Cb 0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 3hfa s VAL 39 CO 0.00 0.30 -0.10 -0.22 0.00 0.00 0.00 175.10 175.07 3hfa s LEU 40 N -0.13 2.88 -0.18 3.92 2.96 0.56 0.32 118.68 129.02 3hfa s LEU 40 Ca 0.02 -0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 53.65 3hfa s LEU 40 Cb -0.07 -1.65 -0.02 0.00 0.50 0.00 0.00 46.19 44.95 3hfa s LEU 40 CO 0.00 0.20 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.81 3hfa s PHE 41 N 0.17 2.95 -0.06 5.38 0.08 0.46 -1.09 117.98 125.87 3hfa s PHE 41 Ca -0.06 -0.64 -0.00 0.00 0.12 0.00 0.00 56.93 56.36 3hfa s PHE 41 Cb -0.15 -2.01 0.02 0.00 -0.57 0.00 0.00 43.02 40.32 3hfa s PHE 41 CO 0.04 -0.30 -0.03 0.08 -0.10 0.00 0.00 175.22 174.92 3hfa s VAL 42 N 0.87 0.51 -0.01 -0.44 1.01 -0.39 -2.01 120.40 119.95 3hfa s VAL 42 Ca -0.01 -0.02 0.04 0.00 0.00 0.00 0.00 61.98 61.98 3hfa s VAL 42 Cb -0.15 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 3hfa s VAL 42 CO 0.01 0.26 -0.13 0.00 0.00 0.00 0.00 175.10 175.24 3hfa s ALA 43 N 1.50 1.09 -0.22 5.51 0.00 -0.53 -0.97 121.76 128.15 3hfa s ALA 43 Ca -0.02 -0.57 -0.29 0.00 0.00 0.00 0.00 51.96 51.09 3hfa s ALA 43 Cb -0.13 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 3hfa s ALA 43 CO -0.03 0.27 1.94 -1.21 0.00 0.00 0.00 175.76 176.73 3hfa s GLU 44 N -0.32 3.45 -0.26 0.00 2.02 -0.64 -1.14 118.70 121.81 3hfa s GLU 44 Ca 0.05 1.85 -0.02 0.00 0.02 0.00 0.00 54.97 56.87 3hfa s GLU 44 Cb -0.05 -4.23 0.14 0.00 0.10 0.00 0.00 34.13 30.09 3hfa s GLU 44 CO -0.00 -1.73 0.38 1.21 0.02 0.00 0.00 175.26 175.14 3hfa s ASN 45 N 6.35 0.34 0.18 -0.19 3.84 0.28 -4.70 114.94 121.04 3hfa s ASN 45 Ca 0.87 0.04 -0.02 0.00 0.21 0.00 0.00 52.86 53.96 3hfa s ASN 45 Cb -0.29 1.09 0.07 0.00 -0.55 0.00 0.00 41.25 41.57 3hfa s ASN 45 CO 0.34 -0.32 1.46 -0.65 -2.79 0.00 0.00 177.10 175.14 3hfa h PRO 46 N 8.18 0.47 -6.89 0.43 0.11 -1.79 -3.21 132.00 129.31 3hfa h PRO 46 Ca -0.17 -0.35 -0.56 0.00 0.11 0.00 0.00 66.00 65.03 3hfa h PRO 46 Cb 1.14 0.06 0.13 0.00 0.11 0.00 0.00 31.00 32.45 3hfa h PRO 46 CO 0.27 0.97 0.47 0.45 -0.21 0.00 0.00 178.00 179.96 3hfa n SER 47 N -3.89 2.33 0.06 -2.05 2.88 -1.26 -4.77 113.62 106.92 3hfa n SER 47 Ca -0.04 1.03 -0.12 0.00 -1.33 0.00 0.00 58.87 58.41 3hfa n SER 47 Cb 0.67 -1.50 -0.13 0.00 -0.75 0.00 0.00 64.21 62.49 3hfa n SER 47 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 3hfa h ARG 48 N 1.67 0.13 0.00 -1.46 0.11 -1.93 -3.42 114.38 109.48 3hfa h ARG 48 Ca -0.49 -0.22 0.00 0.00 0.10 0.00 0.00 59.98 59.38 3hfa h ARG 48 Cb 1.31 0.08 0.00 0.00 1.11 0.00 0.00 29.97 32.47 3hfa h ARG 48 CO 0.58 1.01 -0.54 -1.13 0.10 0.00 0.00 179.97 179.98 3hfa n SER 49 N -3.37 2.71 -4.65 0.08 3.41 -1.26 -5.00 113.62 105.54 3hfa n SER 49 Ca -0.09 -0.09 -0.39 0.00 -0.26 0.00 0.00 58.87 58.03 3hfa n SER 49 Cb 1.00 0.73 -0.07 0.00 -0.26 0.00 0.00 64.21 65.61 3hfa n SER 49 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hfa s LEU 50 N -2.01 4.11 -0.03 1.04 1.43 -1.26 -5.06 118.68 116.91 3hfa s LEU 50 Ca 0.00 0.63 0.03 0.00 -1.03 0.00 0.00 54.13 53.76 3hfa s LEU 50 Cb 0.00 -2.70 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 3hfa s LEU 50 CO 0.00 -0.22 -0.09 -1.10 0.23 0.00 0.00 176.35 175.17 3hfa s GLN 51 N 1.89 2.56 0.00 1.70 -0.21 -1.26 -4.76 119.66 119.59 3hfa s GLN 51 Ca 0.23 -0.68 0.05 0.00 0.02 0.00 0.00 55.36 54.98 3hfa s GLN 51 Cb -0.15 -2.48 0.06 0.00 1.00 0.00 0.00 33.01 31.43 3hfa s GLN 51 CO 0.09 0.62 0.73 0.36 -2.12 0.00 0.00 175.29 174.97 3hfa n LYS 52 N 1.90 0.16 -4.94 2.91 2.85 -1.26 -4.97 118.16 114.81 3hfa n LYS 52 Ca -0.17 -0.94 -0.27 0.00 -1.05 0.00 0.00 58.31 55.89 3hfa n LYS 52 Cb 0.53 -1.10 -0.15 0.00 -0.65 0.00 0.00 35.03 33.65 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 -0.51 1.67 0.00 0.58 1.01 -1.26 -1.18 121.20 121.51 3hfa s ILE 53 Ca 0.07 -0.98 -0.29 0.00 0.00 0.00 0.00 60.65 59.45 3hfa s ILE 53 Cb 0.05 -1.41 0.07 0.00 0.01 0.00 0.00 42.46 41.18 3hfa s ILE 53 CO 0.07 0.40 0.67 -0.55 0.00 0.00 0.00 174.94 175.53 3hfa s SER 54 N -0.68 -0.63 0.33 3.58 0.15 0.32 -5.00 113.70 111.78 3hfa s SER 54 Ca 0.08 0.51 -0.28 0.00 0.70 0.00 0.00 55.95 56.96 3hfa s SER 54 Cb -0.08 0.55 -0.09 0.00 -1.71 0.00 0.00 66.02 64.68 3hfa s SER 54 CO -0.00 -0.70 1.15 -0.70 1.20 0.00 0.00 173.24 174.19 3hfa s GLU 55 N -1.90 4.39 -0.13 5.44 2.12 -1.26 -0.25 118.70 127.12 3hfa s GLU 55 Ca -0.07 1.86 -0.06 0.00 0.36 0.00 0.00 54.97 57.06 3hfa s GLU 55 Cb -0.00 -2.97 -0.05 0.00 0.26 0.00 0.00 34.13 31.36 3hfa s GLU 55 CO 0.03 -0.04 -0.16 1.28 -0.54 0.00 0.00 175.26 175.84 3hfa n LEU 56 N 0.70 0.90 0.00 2.70 4.77 -0.29 -4.82 117.00 120.96 3hfa n LEU 56 Ca 0.01 0.16 -0.08 0.00 -0.03 0.00 0.00 56.01 56.07 3hfa n LEU 56 Cb 0.45 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 3hfa n LEU 56 CO 0.53 0.25 0.15 0.00 -1.33 0.00 0.00 177.39 176.99 3hfa n TYR 57 N -3.58 -1.21 -0.35 -1.77 9.36 -0.96 -4.75 117.16 113.90 3hfa n TYR 57 Ca -0.25 -1.35 -0.05 0.00 3.32 0.00 0.00 57.90 59.58 3hfa n TYR 57 Cb 0.67 0.38 -0.00 0.00 -0.63 0.00 0.00 39.34 39.75 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 1.19 -1.58 -0.17 2.98 3.32 -1.95 -2.30 116.42 117.90 3hfa h ASP 58 Ca -0.17 0.30 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3hfa h ASP 58 Cb 0.72 0.77 0.00 0.00 0.22 0.00 0.00 39.33 41.04 3hfa h ASP 58 CO 0.23 -0.29 0.00 0.54 -1.72 0.00 0.00 179.24 178.00 3hfa n ARG 59 N -5.41 2.70 -5.15 3.56 5.12 -1.26 -0.87 116.66 115.34 3hfa n ARG 59 Ca 0.07 -2.10 -0.31 0.00 -1.93 0.00 0.00 57.85 53.57 3hfa n ARG 59 Cb 0.36 -1.32 -0.17 0.00 -1.16 0.00 0.00 32.46 30.17 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 -1.60 1.96 0.34 1.55 1.01 -0.86 -2.03 120.40 120.77 3hfa s VAL 60 Ca 0.21 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.32 3hfa s VAL 60 Cb 0.15 -1.70 -0.06 0.00 0.00 0.00 0.00 36.38 34.76 3hfa s VAL 60 CO 0.08 0.54 -0.07 -0.83 0.00 0.00 0.00 175.10 174.82 3hfa s GLY 61 N 0.38 2.16 -0.01 4.51 0.00 0.21 -1.14 107.32 113.42 3hfa s GLY 61 Ca -0.18 -2.05 0.01 0.00 0.00 0.00 0.00 44.72 42.49 3hfa s GLY 61 CO 0.08 -2.00 -0.03 -0.12 0.00 0.00 0.00 173.10 171.04 3hfa s PHE 62 N -2.58 0.33 -0.01 1.90 5.36 0.66 -1.71 117.98 121.93 3hfa s PHE 62 Ca 0.33 -0.05 -0.04 0.00 -0.96 0.00 0.00 56.93 56.21 3hfa s PHE 62 Cb 0.02 -0.27 0.00 0.00 -0.34 0.00 0.00 43.02 42.43 3hfa s PHE 62 CO 0.17 -0.04 0.08 0.00 -1.46 0.00 0.00 175.22 173.97 3hfa s ALA 63 N 0.20 -0.18 0.02 11.12 0.00 -0.59 -0.52 121.76 131.80 3hfa s ALA 63 Ca -0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 51.96 51.85 3hfa s ALA 63 Cb -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 3hfa s ALA 63 CO -0.00 -0.12 0.07 0.00 0.00 0.00 0.00 175.76 175.70 3hfa s ALA 64 N -0.73 -0.05 0.13 0.00 0.00 -0.32 -0.34 121.76 120.43 3hfa s ALA 64 Ca -0.08 -0.48 0.08 0.00 0.00 0.00 0.00 51.96 51.48 3hfa s ALA 64 Cb -0.05 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 3hfa s ALA 64 CO 0.00 -0.25 -0.20 0.00 0.00 0.00 0.00 175.76 175.32 3hfa s ALA 65 N -2.02 1.87 0.00 0.00 0.00 -0.58 -4.86 121.76 116.16 3hfa s ALA 65 Ca -0.10 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.52 3hfa s ALA 65 Cb -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.85 3hfa s ALA 65 CO -0.02 0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.46 3hfa n GLY 66 N 0.79 0.23 3.66 0.00 0.00 -1.26 -1.56 105.19 107.04 3hfa n GLY 66 Ca -0.17 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.12 4.20 0.11 1.61 2.20 -0.43 -4.90 119.74 122.41 3hfa s LYS 67 Ca 0.00 1.46 -0.22 0.00 -0.36 0.00 0.00 55.97 56.85 3hfa s LYS 67 Cb 0.00 -3.73 -0.09 0.00 -1.51 0.00 0.00 37.83 32.51 3hfa s LYS 67 CO 0.00 -0.73 1.71 0.35 -0.36 0.00 0.00 175.35 176.32 3hfa h PHE 68 N 8.00 -0.14 -0.35 4.03 3.57 -1.95 -1.38 116.94 128.73 3hfa h PHE 68 Ca -0.23 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.33 3hfa h PHE 68 Cb 1.08 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 3hfa h PHE 68 CO 0.79 -0.09 0.24 -2.95 -2.23 0.00 0.00 178.31 174.06 3hfa h ASN 69 N -0.08 0.22 0.00 0.41 7.08 -1.98 0.14 115.58 121.38 3hfa h ASN 69 Ca 0.05 -0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.23 3hfa h ASN 69 Cb 0.14 -0.05 0.00 0.00 -2.08 0.00 0.00 38.32 36.34 3hfa h ASN 69 CO -0.11 0.15 -0.14 -0.33 -2.08 0.00 0.00 177.43 174.93 3hfa h GLU 70 N 0.26 0.09 0.00 4.14 5.08 -1.77 -2.53 114.58 119.85 3hfa h GLU 70 Ca 0.15 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 3hfa h GLU 70 Cb 0.28 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3hfa h GLU 70 CO -0.03 0.88 -0.28 0.27 -1.00 0.00 0.00 179.01 178.85 3hfa h PHE 71 N -0.66 0.00 -0.49 4.33 -5.15 -0.95 -2.60 116.94 111.42 3hfa h PHE 71 Ca -0.02 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.63 3hfa h PHE 71 Cb 0.93 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.08 3hfa h PHE 71 CO 0.20 0.28 -0.16 0.22 -2.00 0.00 0.00 178.31 176.85 3hfa h ASP 72 N 0.00 0.98 -0.48 -0.68 3.58 -0.80 0.14 116.42 119.16 3hfa h ASP 72 Ca -0.00 -0.38 0.09 0.00 0.42 0.00 0.00 57.03 57.17 3hfa h ASP 72 Cb 0.86 -0.27 -0.08 0.00 1.72 0.00 0.00 39.33 41.55 3hfa h ASP 72 CO 0.04 1.13 -0.04 0.78 -2.88 0.00 0.00 179.24 178.27 3hfa h ASN 73 N 0.82 -0.29 -0.26 2.28 2.35 -1.15 -0.96 115.58 118.37 3hfa h ASN 73 Ca 0.12 0.12 -0.10 0.00 -0.55 0.00 0.00 56.30 55.90 3hfa h ASN 73 Cb 0.72 0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.31 3hfa h ASN 73 CO 0.06 -0.10 -0.17 -0.07 -1.65 0.00 0.00 177.43 175.50 3hfa h LEU 74 N 0.07 0.69 0.08 1.61 3.38 -1.09 -0.68 115.31 119.38 3hfa h LEU 74 Ca 0.24 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hfa h LEU 74 Cb 0.36 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3hfa h LEU 74 CO -0.43 0.87 -0.07 -0.09 0.09 0.00 0.00 178.44 178.80 3hfa h ARG 75 N 0.62 -0.17 -0.77 1.13 2.43 -0.28 -0.27 114.38 117.08 3hfa h ARG 75 Ca 0.10 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 3hfa h ARG 75 Cb 0.63 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.19 3hfa h ARG 75 CO 0.04 -0.11 0.35 0.00 -1.51 0.00 0.00 179.97 178.75 3hfa h ARG 76 N -0.17 1.11 -0.66 0.20 3.08 -0.96 -1.58 114.38 115.40 3hfa h ARG 76 Ca 0.00 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 59.83 3hfa h ARG 76 Cb 0.16 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 3hfa h ARG 76 CO -0.02 0.87 0.20 0.78 -1.07 0.00 0.00 179.97 180.73 3hfa h GLY 77 N 1.13 1.09 1.03 0.04 0.00 -0.83 -0.48 103.07 105.05 3hfa h GLY 77 Ca 0.26 -0.62 -0.10 0.00 0.00 0.00 0.00 47.33 46.86 3hfa h GLY 77 CO -0.03 0.59 -0.13 -1.33 0.00 0.00 0.00 176.54 175.63 3hfa h GLY 78 N 1.06 0.94 1.01 4.60 0.00 -0.61 -0.75 103.07 109.31 3hfa h GLY 78 Ca 0.21 -0.79 -0.04 0.00 0.00 0.00 0.00 47.33 46.71 3hfa h GLY 78 CO -0.01 0.72 0.23 -2.22 0.00 0.00 0.00 176.54 175.27 3hfa h ILE 79 N 0.70 1.24 -0.28 2.60 2.04 -1.05 0.10 117.51 122.86 3hfa h ILE 79 Ca 0.11 -0.77 0.03 0.00 1.00 0.00 0.00 64.86 65.22 3hfa h ILE 79 Cb 0.68 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3hfa h ILE 79 CO 0.05 0.30 0.10 -0.61 0.00 0.00 0.00 178.15 177.99 3hfa h GLN 80 N 0.89 0.22 -0.03 2.37 5.75 -0.99 -0.74 115.11 122.58 3hfa h GLN 80 Ca 0.21 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.69 3hfa h GLN 80 Cb 0.24 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.73 3hfa h GLN 80 CO -0.01 0.15 0.02 0.35 -2.65 0.00 0.00 178.83 176.68 3hfa h PHE 81 N 0.23 0.05 -0.05 3.99 3.57 -0.65 -1.90 116.94 122.18 3hfa h PHE 81 Ca 0.12 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 3hfa h PHE 81 Cb 0.09 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 3hfa h PHE 81 CO -0.13 0.12 0.03 0.00 -2.23 0.00 0.00 178.31 176.10 3hfa h ALA 82 N 0.92 0.06 -0.44 2.41 0.00 -0.68 -1.14 119.26 120.39 3hfa h ALA 82 Ca 0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3hfa h ALA 82 Cb 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3hfa h ALA 82 CO -0.00 -0.41 0.08 -0.44 0.00 0.00 0.00 179.25 178.48 3hfa h ASP 83 N 0.00 0.62 -0.12 0.00 3.32 -1.12 -0.93 116.42 118.20 3hfa h ASP 83 Ca 0.02 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 3hfa h ASP 83 Cb 0.06 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 3hfa h ASP 83 CO -0.00 0.63 -0.02 0.74 -1.72 0.00 0.00 179.24 178.87 3hfa h THR 84 N 0.64 1.28 -0.42 0.35 2.02 -1.12 -2.15 112.91 113.52 3hfa h THR 84 Ca 0.14 -0.93 -0.00 0.00 0.77 0.00 0.00 66.41 66.39 3hfa h THR 84 Cb 0.28 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 3hfa h THR 84 CO 0.00 0.27 0.25 0.03 0.37 0.00 0.00 175.52 176.44 3hfa h ARG 85 N -0.08 0.57 -0.87 6.66 2.47 -0.98 0.08 114.38 122.23 3hfa h ARG 85 Ca 0.03 -0.05 0.04 0.00 -1.26 0.00 0.00 59.98 58.73 3hfa h ARG 85 Cb 0.42 -0.12 -0.05 0.00 -1.65 0.00 0.00 29.97 28.58 3hfa h ARG 85 CO 0.01 0.43 0.57 0.78 0.56 0.00 0.00 179.97 182.32 3hfa h GLY 86 N 0.55 1.24 1.52 0.04 0.00 -1.18 0.12 103.07 105.36 3hfa h GLY 86 Ca 0.15 -0.42 -0.24 0.00 0.00 0.00 0.00 47.33 46.82 3hfa h GLY 86 CO -0.03 0.36 -1.00 -1.82 0.00 0.00 0.00 176.54 174.05 3hfa h TYR 87 N 1.08 0.65 0.00 5.60 3.20 -1.01 -3.10 116.97 123.38 3hfa h TYR 87 Ca 0.35 -0.37 -0.16 0.00 3.14 0.00 0.00 58.73 61.69 3hfa h TYR 87 Cb 0.04 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 3hfa h TYR 87 CO -0.00 1.20 -0.75 0.00 -1.64 0.00 0.00 178.16 176.98 3hfa h ALA 88 N 0.67 0.68 -3.00 1.82 0.00 -0.59 -3.45 119.26 115.40 3hfa h ALA 88 Ca -0.10 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.14 3hfa h ALA 88 Cb 1.65 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3hfa h ALA 88 CO 0.18 0.93 0.00 0.66 0.00 0.00 0.00 179.25 181.02 3hfa n TYR 89 N -3.52 0.00 -3.95 0.00 4.01 0.40 -5.08 117.16 109.01 3hfa n TYR 89 Ca -0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 3hfa n TYR 89 Cb 0.76 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.70 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 0.63 0.26 0.25 7.72 2.15 -1.17 -4.95 116.67 121.56 3hfa s ASP 90 Ca 0.00 -0.77 -0.03 0.00 0.43 0.00 0.00 52.55 52.18 3hfa s ASP 90 Cb 0.00 0.28 0.49 0.00 -0.30 0.00 0.00 42.92 43.39 3hfa s ASP 90 CO 0.00 -0.67 1.73 0.03 -0.17 0.00 0.00 175.17 176.09 3hfa h ARG 91 N 2.96 0.45 0.00 4.34 3.08 -1.89 0.04 114.38 123.36 3hfa h ARG 91 Ca -0.34 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.68 3hfa h ARG 91 Cb 1.18 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3hfa h ARG 91 CO 0.59 0.30 0.00 0.54 -1.07 0.00 0.00 179.97 180.33 3hfa n ARG 92 N -4.99 0.05 0.01 0.04 5.12 -1.26 -1.69 116.66 113.94 3hfa n ARG 92 Ca 0.15 0.39 0.12 0.00 -1.93 0.00 0.00 57.85 56.59 3hfa n ARG 92 Cb 0.44 -1.61 0.32 0.00 -1.16 0.00 0.00 32.46 30.45 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 -1.70 0.44 -4.70 0.55 8.00 -0.00 -4.82 116.55 114.33 3hfa n ASP 93 Ca 0.02 0.01 -0.41 0.00 0.71 0.00 0.00 54.79 55.11 3hfa n ASP 93 Cb 0.11 0.04 -0.04 0.00 -0.02 0.00 0.00 41.12 41.21 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 -3.03 4.94 0.13 2.53 1.01 -0.68 -5.02 120.40 120.28 3hfa s VAL 94 Ca 0.11 1.63 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 0.66 0.14 -0.11 0.42 0.00 0.00 0.00 175.10 176.22 3hfa s THR 95 N 1.42 1.12 0.24 3.92 -4.23 -1.26 -4.99 115.64 111.85 3hfa s THR 95 Ca 0.40 -1.89 -0.06 0.00 -1.18 0.00 0.00 61.69 58.96 3hfa s THR 95 Cb -0.18 -1.66 0.20 0.00 1.34 0.00 0.00 72.50 72.21 3hfa s THR 95 CO 0.17 -0.65 1.85 1.23 -0.54 0.00 0.00 174.62 176.69 3hfa h GLY 96 N 3.11 1.29 0.67 3.99 0.00 -1.93 -2.06 103.07 108.14 3hfa h GLY 96 Ca -0.37 -0.60 0.05 0.00 0.00 0.00 0.00 47.33 46.40 3hfa h GLY 96 CO 0.59 0.58 0.17 -0.09 0.00 0.00 0.00 176.54 177.78 3hfa h ARG 97 N 1.20 0.34 -0.36 4.80 2.43 -1.96 0.19 114.38 121.02 3hfa h ARG 97 Ca 0.30 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.47 3hfa h ARG 97 Cb 0.06 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 3hfa h ARG 97 CO -0.04 0.23 0.18 0.37 -1.51 0.00 0.00 179.97 179.19 3hfa h GLN 98 N 0.35 0.35 -0.54 0.20 4.15 -1.87 0.10 115.11 117.86 3hfa h GLN 98 Ca 0.19 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.53 3hfa h GLN 98 Cb 0.16 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 3hfa h GLN 98 CO -0.18 0.23 0.09 -0.07 -1.93 0.00 0.00 178.83 176.98 3hfa h LEU 99 N 0.36 0.85 -0.56 -2.39 3.38 -0.79 -1.65 115.31 114.51 3hfa h LEU 99 Ca 0.15 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3hfa h LEU 99 Cb 0.07 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3hfa h LEU 99 CO -0.11 0.89 0.29 0.00 0.09 0.00 0.00 178.44 179.60 3hfa h ALA 100 N 0.99 0.72 -0.51 1.53 0.00 -0.29 -1.17 119.26 120.52 3hfa h ALA 100 Ca 0.16 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3hfa h ALA 100 Cb 0.40 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3hfa h ALA 100 CO 0.01 0.26 0.26 -0.97 0.00 0.00 0.00 179.25 178.81 3hfa h ASN 101 N 0.75 0.38 0.07 0.00 -0.73 -0.63 -0.45 115.58 114.98 3hfa h ASN 101 Ca 0.19 0.03 -0.12 0.00 1.87 0.00 0.00 56.30 58.27 3hfa h ASN 101 Cb 0.08 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 38.61 3hfa h ASN 101 CO -0.03 0.26 -0.41 1.62 -0.37 0.00 0.00 177.43 178.50 3hfa h VAL 102 N 0.51 1.31 -0.61 2.57 3.04 -0.97 -1.99 116.25 120.12 3hfa h VAL 102 Ca 0.22 -1.57 -0.10 0.00 -1.01 0.00 0.00 66.70 64.25 3hfa h VAL 102 Cb 0.12 1.61 -0.02 0.00 -2.01 0.00 0.00 31.29 31.00 3hfa h VAL 102 CO -0.15 0.48 -0.01 1.88 -1.01 0.00 0.00 177.57 178.77 3hfa h TYR 103 N 0.36 1.17 -0.14 3.17 0.05 -0.81 -0.23 116.97 120.54 3hfa h TYR 103 Ca 0.03 -0.20 0.01 0.00 0.05 0.00 0.00 58.73 58.62 3hfa h TYR 103 Cb 0.88 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 38.31 3hfa h TYR 103 CO 0.03 1.03 0.07 0.00 -1.05 0.00 0.00 178.16 178.24 3hfa h ALA 104 N 1.00 0.17 -0.40 3.88 0.00 -0.70 0.13 119.26 123.35 3hfa h ALA 104 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hfa h ALA 104 Cb 0.57 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3hfa h ALA 104 CO 0.03 -0.37 0.24 0.37 0.00 0.00 0.00 179.25 179.52 3hfa h GLN 105 N 0.16 0.54 0.25 0.00 4.15 -1.27 -0.60 115.11 118.34 3hfa h GLN 105 Ca 0.06 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 3hfa h GLN 105 Cb 0.01 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.59 3hfa h GLN 105 CO -0.04 0.41 -0.12 1.15 -1.93 0.00 0.00 178.83 178.30 3hfa h THR 106 N 0.52 0.78 -0.50 2.39 2.02 -0.65 -1.56 112.91 115.91 3hfa h THR 106 Ca 0.14 -0.19 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 3hfa h THR 106 Cb 0.01 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 3hfa h THR 106 CO -0.03 0.04 0.12 -0.07 0.37 0.00 0.00 175.52 175.96 3hfa h LEU 107 N -0.43 0.71 -0.40 2.58 3.38 -0.74 -0.11 115.31 120.30 3hfa h LEU 107 Ca -0.03 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.85 3hfa h LEU 107 Cb 0.33 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3hfa h LEU 107 CO 0.06 0.70 0.17 1.23 0.09 0.00 0.00 178.44 180.69 3hfa h GLY 108 N 0.93 0.53 0.88 0.83 0.00 -0.97 0.28 103.07 105.55 3hfa h GLY 108 Ca 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 3hfa h GLY 108 CO -0.00 0.06 0.08 -0.84 0.00 0.00 0.00 176.54 175.83 3hfa h THR 109 N 0.34 1.18 -0.56 4.70 2.02 -0.75 -2.79 112.91 117.05 3hfa h THR 109 Ca 0.18 -0.56 0.03 0.00 0.77 0.00 0.00 66.41 66.82 3hfa h THR 109 Cb 0.13 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 3hfa h THR 109 CO -0.16 0.18 0.34 0.40 0.37 0.00 0.00 175.52 176.65 3hfa h ILE 110 N 0.19 1.06 -0.38 3.11 2.04 -0.74 -0.65 117.51 122.13 3hfa h ILE 110 Ca 0.07 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3hfa h ILE 110 Cb 0.21 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 3hfa h ILE 110 CO -0.00 0.12 0.25 0.15 0.00 0.00 0.00 178.15 178.67 3hfa h PHE 111 N 0.67 0.48 0.00 1.37 3.57 -0.31 -1.76 116.94 120.97 3hfa h PHE 111 Ca 0.23 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.74 3hfa h PHE 111 Cb 0.03 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.60 3hfa h PHE 111 CO -0.06 0.31 -1.88 0.25 -2.23 0.00 0.00 178.31 174.69 3hfa n THR 112 N -4.48 0.01 0.00 4.41 -2.24 -1.01 -4.73 114.28 106.25 3hfa n THR 112 Ca 0.03 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 3hfa n THR 112 Cb 0.06 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 3hfa n THR 112 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hfa n GLU 113 N -2.20 2.52 -0.98 -0.78 1.02 -0.28 -5.04 120.64 114.90 3hfa n GLU 113 Ca -0.03 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.80 3hfa n GLU 113 Cb 0.55 -0.98 0.13 0.00 -0.02 0.00 0.00 31.44 31.12 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 -1.96 1.52 0.30 3.49 2.00 -0.67 -4.93 119.66 119.43 3hfa s GLN 114 Ca 0.00 1.30 0.01 0.00 -2.00 0.00 0.00 55.36 54.67 3hfa s GLN 114 Cb 0.00 -1.80 0.49 0.00 0.80 0.00 0.00 33.01 32.49 3hfa s GLN 114 CO 0.00 -2.20 1.86 0.00 -0.50 0.00 0.00 175.29 174.45 3hfa h ALA 115 N -1.54 1.29 -3.90 1.58 0.00 -1.96 -3.43 119.26 111.30 3hfa h ALA 115 Ca -0.44 -0.19 -0.35 0.00 0.00 0.00 0.00 54.91 53.93 3hfa h ALA 115 Cb 1.25 -0.20 -0.28 0.00 0.00 0.00 0.00 17.79 18.57 3hfa h ALA 115 CO 0.47 0.50 -0.76 0.21 0.00 0.00 0.00 179.25 179.66 3hfa s LYS 116 N -5.18 0.57 0.68 0.00 2.20 -1.26 -5.14 119.74 111.62 3hfa s LYS 116 Ca -0.09 -0.30 -0.16 0.00 -0.36 0.00 0.00 55.97 55.06 3hfa s LYS 116 Cb 0.16 -0.54 0.01 0.00 -1.51 0.00 0.00 37.83 35.95 3hfa s LYS 116 CO 0.79 0.15 1.20 -2.14 -0.36 0.00 0.00 175.35 174.98 3hfa s PRO 117 N -0.29 2.46 0.04 4.03 0.02 -1.26 -4.90 135.00 135.09 3hfa s PRO 117 Ca 0.02 1.76 -0.30 0.00 0.02 0.00 0.00 61.00 62.49 3hfa s PRO 117 Cb -0.03 -1.87 -0.05 0.00 0.02 0.00 0.00 34.50 32.56 3hfa s PRO 117 CO -0.00 -1.59 1.21 0.71 -0.33 0.00 0.00 177.00 177.00 3hfa s TYR 118 N -1.88 3.37 -1.24 6.54 1.51 -1.26 -4.90 117.35 119.49 3hfa s TYR 118 Ca 0.75 1.26 -0.11 0.00 -1.01 0.00 0.00 57.07 57.96 3hfa s TYR 118 Cb -0.29 -3.44 0.18 0.00 -0.11 0.00 0.00 41.96 38.30 3hfa s TYR 118 CO 0.41 -1.36 1.68 0.39 -1.11 0.00 0.00 175.55 175.56 3hfa n GLU 119 N 4.19 3.58 -3.96 -0.62 1.02 -1.26 -4.79 120.64 118.80 3hfa n GLU 119 Ca 0.09 -3.73 -0.08 0.00 -0.02 0.00 0.00 57.16 53.42 3hfa n GLU 119 Cb 0.46 -2.93 -0.09 0.00 -0.02 0.00 0.00 31.44 28.86 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 0.57 0.16 -0.03 2.62 -7.23 -1.26 -1.31 120.40 113.93 3hfa s VAL 120 Ca 0.40 -1.34 0.01 0.00 -1.81 0.00 0.00 61.98 59.24 3hfa s VAL 120 Cb 0.04 -1.19 0.02 0.00 0.56 0.00 0.00 36.38 35.81 3hfa s VAL 120 CO 0.01 -0.74 -0.03 -0.70 -0.31 0.00 0.00 175.10 173.33 3hfa s GLU 121 N -3.32 0.49 0.08 4.82 2.12 -0.60 -3.32 118.70 118.96 3hfa s GLU 121 Ca 0.01 -0.05 0.08 0.00 0.36 0.00 0.00 54.97 55.37 3hfa s GLU 121 Cb 0.03 -0.55 -0.04 0.00 0.26 0.00 0.00 34.13 33.83 3hfa s GLU 121 CO -0.08 -0.05 -0.17 -0.51 -0.54 0.00 0.00 175.26 173.91 3hfa s LEU 122 N 0.66 2.71 -0.11 2.70 1.43 0.21 -1.53 118.68 124.75 3hfa s LEU 122 Ca -0.07 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.59 3hfa s LEU 122 Cb -0.11 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.55 3hfa s LEU 122 CO -0.01 0.22 -0.20 0.00 0.23 0.00 0.00 176.35 176.59 3hfa s VAL 124 N 0.66 3.63 0.10 0.00 1.01 -0.24 -1.55 120.40 124.01 3hfa s VAL 124 Ca -0.12 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 61.50 3hfa s VAL 124 Cb -0.16 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 3hfa s VAL 124 CO 0.03 0.49 -0.22 0.00 0.00 0.00 0.00 175.10 175.40 3hfa s ALA 125 N 0.50 1.91 -0.00 5.51 0.00 -0.69 -0.15 121.76 128.83 3hfa s ALA 125 Ca -0.05 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.65 3hfa s ALA 125 Cb -0.15 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.69 3hfa s ALA 125 CO 0.03 0.40 0.00 -2.00 0.00 0.00 0.00 175.76 174.19 3hfa s GLU 126 N -1.83 0.01 0.38 0.00 2.12 -0.29 -0.62 118.70 118.48 3hfa s GLU 126 Ca 0.08 0.03 0.08 0.00 0.36 0.00 0.00 54.97 55.52 3hfa s GLU 126 Cb -0.10 -0.06 -0.05 0.00 0.26 0.00 0.00 34.13 34.18 3hfa s GLU 126 CO 0.04 -0.03 0.16 0.14 -0.54 0.00 0.00 175.26 175.03 3hfa s VAL 127 N 0.19 2.57 0.76 3.70 -7.23 -0.86 -0.84 120.40 118.69 3hfa s VAL 127 Ca -0.02 -1.71 -0.14 0.00 -1.81 0.00 0.00 61.98 58.30 3hfa s VAL 127 Cb -0.02 -2.97 0.05 0.00 0.56 0.00 0.00 36.38 34.00 3hfa s VAL 127 CO -0.01 -0.08 1.18 0.00 -0.31 0.00 0.00 175.10 175.89 3hfa s ALA 128 N -2.53 2.06 0.62 1.32 0.00 -1.26 -4.87 121.76 117.09 3hfa s ALA 128 Ca 0.40 0.75 -0.15 0.00 0.00 0.00 0.00 51.96 52.96 3hfa s ALA 128 Cb 0.01 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 3hfa s ALA 128 CO 0.22 -1.96 1.07 -1.01 0.00 0.00 0.00 175.76 174.09 3hfa s HIS 129 N -2.20 2.88 -0.01 0.00 3.76 -1.26 -4.81 115.29 113.65 3hfa s HIS 129 Ca 0.71 1.52 -0.37 0.00 -0.15 0.00 0.00 55.06 56.77 3hfa s HIS 129 Cb -0.26 -3.05 -0.16 0.00 1.11 0.00 0.00 32.58 30.22 3hfa s HIS 129 CO 0.48 -1.31 1.50 0.98 -0.85 0.00 0.00 174.74 175.54 3hfa n TYR 130 N -2.24 1.77 -1.01 1.40 9.36 -1.26 -0.81 117.16 124.37 3hfa n TYR 130 Ca 0.09 0.54 -0.00 0.00 3.32 0.00 0.00 57.90 61.85 3hfa n TYR 130 Cb 0.53 -2.40 -0.00 0.00 -0.63 0.00 0.00 39.34 36.83 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 3.14 0.47 3.74 2.98 0.00 -1.26 -5.03 105.19 109.22 3hfa n GLY 131 Ca 0.21 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 3hfa n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hfa s GLU 132 N -0.52 2.64 -0.24 1.61 2.02 0.01 -5.11 118.70 119.11 3hfa s GLU 132 Ca 0.00 -1.12 -0.06 0.00 0.02 0.00 0.00 54.97 53.81 3hfa s GLU 132 Cb 0.00 -2.43 -0.01 0.00 0.10 0.00 0.00 34.13 31.79 3hfa s GLU 132 CO 0.00 0.42 0.02 0.95 0.02 0.00 0.00 175.26 176.67 3hfa s THR 133 N -2.01 3.87 -0.29 3.63 -4.23 -1.26 -4.75 115.64 110.59 3hfa s THR 133 Ca 0.31 -0.38 -0.13 0.00 -1.18 0.00 0.00 61.69 60.31 3hfa s THR 133 Cb -0.08 -2.82 0.13 0.00 1.34 0.00 0.00 72.50 71.07 3hfa s THR 133 CO 0.22 0.34 0.77 -0.75 -0.54 0.00 0.00 174.62 174.65 3hfa s LYS 134 N 1.54 0.53 0.27 3.99 2.20 -1.26 -5.07 119.74 121.94 3hfa s LYS 134 Ca 0.06 1.16 -0.30 0.00 -0.36 0.00 0.00 55.97 56.53 3hfa s LYS 134 Cb -0.15 0.52 -0.14 0.00 -1.51 0.00 0.00 37.83 36.55 3hfa s LYS 134 CO 0.01 -0.15 1.25 0.54 -0.36 0.00 0.00 175.35 176.63 3hfa n ARG 135 N 4.87 1.79 -1.40 4.03 1.74 -1.26 -4.21 116.66 122.22 3hfa n ARG 135 Ca -0.14 0.63 -0.36 0.00 -0.77 0.00 0.00 57.85 57.21 3hfa n ARG 135 Cb 0.53 -2.18 0.08 0.00 -1.02 0.00 0.00 32.46 29.87 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 1.29 0.56 -5.21 5.56 -0.02 -1.26 -4.79 135.00 131.12 3hfa n PRO 136 Ca 0.10 0.24 -0.32 0.00 -2.02 0.00 0.00 63.50 61.50 3hfa n PRO 136 Cb 0.32 -2.18 -0.17 0.00 -0.02 0.00 0.00 33.50 31.46 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 -3.17 2.81 -0.13 -0.52 2.02 -0.02 -4.98 118.70 114.71 3hfa s GLU 137 Ca 0.73 -0.88 0.03 0.00 0.02 0.00 0.00 54.97 54.87 3hfa s GLU 137 Cb -0.36 -2.25 0.01 0.00 0.10 0.00 0.00 34.13 31.63 3hfa s GLU 137 CO 0.50 0.29 -0.22 -0.51 0.02 0.00 0.00 175.26 175.34 3hfa s LEU 138 N 0.07 2.14 -0.02 1.80 1.43 -1.23 -1.14 118.68 121.73 3hfa s LEU 138 Ca -0.10 -0.57 0.05 0.00 -1.03 0.00 0.00 54.13 52.48 3hfa s LEU 138 Cb -0.16 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 3hfa s LEU 138 CO 0.06 0.11 -0.18 -0.31 0.23 0.00 0.00 176.35 176.26 3hfa s TYR 139 N 0.65 2.58 -0.14 0.29 2.02 0.78 -0.55 117.35 122.97 3hfa s TYR 139 Ca -0.11 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.36 3hfa s TYR 139 Cb -0.16 -1.56 0.01 0.00 -0.40 0.00 0.00 41.96 39.84 3hfa s TYR 139 CO 0.02 0.15 -0.20 0.50 -1.57 0.00 0.00 175.55 174.44 3hfa s ARG 140 N -0.85 3.07 -0.17 -0.62 3.00 0.44 -1.08 118.95 122.73 3hfa s ARG 140 Ca 0.12 -0.83 -0.00 0.00 -1.00 0.00 0.00 55.73 54.01 3hfa s ARG 140 Cb -0.10 -2.48 -0.00 0.00 0.00 0.00 0.00 34.95 32.36 3hfa s ARG 140 CO 0.01 -0.01 -0.14 0.42 0.00 0.00 0.00 175.30 175.58 3hfa s ILE 141 N 0.82 2.75 0.57 4.11 1.09 0.08 -1.49 121.20 129.14 3hfa s ILE 141 Ca -0.06 -0.73 0.08 0.00 -1.10 0.00 0.00 60.65 58.84 3hfa s ILE 141 Cb -0.15 -2.18 0.08 0.00 -1.06 0.00 0.00 42.46 39.15 3hfa s ILE 141 CO -0.02 0.50 0.79 0.42 -0.10 0.00 0.00 174.94 176.54 3hfa s THR 142 N 0.93 2.25 0.56 2.92 -4.23 -0.51 -0.62 115.64 116.95 3hfa s THR 142 Ca -0.03 -0.95 0.34 0.00 -1.18 0.00 0.00 61.69 59.87 3hfa s THR 142 Cb -0.15 -2.30 0.37 0.00 1.34 0.00 0.00 72.50 71.76 3hfa s THR 142 CO -0.02 0.00 2.25 0.10 -0.54 0.00 0.00 174.62 176.41 3hfa h TYR 143 N 0.15 0.00 -0.29 3.99 -0.00 -1.86 -1.03 116.97 117.93 3hfa h TYR 143 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.41 3hfa h TYR 143 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.02 3hfa h TYR 143 CO 0.36 0.02 0.00 -0.40 -0.00 0.00 0.00 178.16 178.14 3hfa n ASP 144 N -3.56 3.10 0.00 0.10 5.75 -1.26 -4.51 116.55 116.17 3hfa n ASP 144 Ca -0.03 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 3hfa n ASP 144 Cb 0.12 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 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 1.42 0.64 3.76 6.12 0.00 -0.39 -4.01 105.19 112.73 3hfa n GLY 145 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3hfa n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hfa s SER 146 N -2.96 6.01 0.01 1.61 0.01 -1.26 -4.64 113.70 112.48 3hfa s SER 146 Ca 0.00 2.70 0.01 0.00 1.31 0.00 0.00 55.95 59.98 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 -1.06 -0.05 -0.51 0.41 0.00 0.00 173.24 172.03 3hfa s ILE 147 N -1.28 0.36 -0.10 1.44 2.07 -1.26 -1.42 121.20 121.01 3hfa s ILE 147 Ca 0.61 -0.44 -0.09 0.00 -1.41 0.00 0.00 60.65 59.33 3hfa s ILE 147 Cb -0.39 -0.35 0.03 0.00 0.13 0.00 0.00 42.46 41.88 3hfa s ILE 147 CO 0.49 -0.06 0.27 0.00 -1.91 0.00 0.00 174.94 173.73 3hfa s ALA 148 N -0.49 -0.65 -0.10 1.50 0.00 -0.55 -4.99 121.76 116.47 3hfa s ALA 148 Ca -0.02 0.82 -0.11 0.00 0.00 0.00 0.00 51.96 52.64 3hfa s ALA 148 Cb -0.04 -0.49 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 3hfa s ALA 148 CO -0.00 -0.14 0.25 0.16 0.00 0.00 0.00 175.76 176.03 3hfa s ASP 149 N 0.37 6.50 0.02 0.00 1.47 -1.26 -0.42 116.67 123.34 3hfa s ASP 149 Ca -0.02 0.59 0.05 0.00 1.18 0.00 0.00 52.55 54.36 3hfa s ASP 149 Cb -0.03 -2.15 -0.03 0.00 -0.34 0.00 0.00 42.92 40.36 3hfa s ASP 149 CO -0.02 0.29 -0.13 -1.61 0.68 0.00 0.00 175.17 174.38 3hfa s GLU 150 N -0.56 2.31 0.05 2.11 0.41 0.28 -5.00 118.70 118.31 3hfa s GLU 150 Ca 0.17 -0.85 -0.12 0.00 -0.41 0.00 0.00 54.97 53.77 3hfa s GLU 150 Cb -0.13 -2.33 -0.32 0.00 -1.78 0.00 0.00 34.13 29.57 3hfa s GLU 150 CO 0.06 0.57 1.07 -1.35 -0.49 0.00 0.00 175.26 175.13 3hfa h PRO 151 N 4.64 0.47 0.00 0.39 0.11 -1.95 -3.25 132.00 132.41 3hfa h PRO 151 Ca -0.48 -0.75 0.00 0.00 0.11 0.00 0.00 66.00 64.88 3hfa h PRO 151 Cb 1.16 0.27 0.00 0.00 0.11 0.00 0.00 31.00 32.54 3hfa h PRO 151 CO 0.50 1.35 -0.91 0.72 -0.21 0.00 0.00 178.00 179.46 3hfa n HIS 152 N -3.67 0.00 -3.62 0.65 8.25 -1.26 -4.83 115.22 110.74 3hfa n HIS 152 Ca -0.13 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.22 3hfa n HIS 152 Cb 1.06 0.02 -0.03 0.00 1.12 0.00 0.00 29.99 32.15 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 -1.95 -0.26 -0.02 4.41 -0.12 -1.26 -1.27 117.98 117.51 3hfa s PHE 153 Ca 0.00 -0.04 0.02 0.00 -0.05 0.00 0.00 56.93 56.86 3hfa s PHE 153 Cb 0.00 0.41 0.00 0.00 -0.63 0.00 0.00 43.02 42.80 3hfa s PHE 153 CO 0.00 -0.84 -0.07 0.08 -0.05 0.00 0.00 175.22 174.34 3hfa s VAL 154 N -3.82 0.63 -0.07 -2.49 1.01 -0.04 -4.87 120.40 110.75 3hfa s VAL 154 Ca 0.05 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.79 3hfa s VAL 154 Cb -0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 36.38 35.82 3hfa s VAL 154 CO -0.08 0.20 -0.20 -0.69 0.00 0.00 0.00 175.10 174.33 3hfa s VAL 155 N 0.15 1.68 0.01 2.92 1.01 -1.26 -1.17 120.40 123.74 3hfa s VAL 155 Ca -0.02 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 3hfa s VAL 155 Cb -0.07 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 3hfa s VAL 155 CO 0.00 0.48 0.00 -0.04 0.00 0.00 0.00 175.10 175.54 3hfa s MET 156 N 0.23 0.20 0.00 2.72 -1.94 -0.04 -5.00 119.30 115.47 3hfa s MET 156 Ca -0.11 -0.32 0.00 0.00 -1.71 0.00 0.00 55.69 53.55 3hfa s MET 156 Cb -0.15 0.07 0.00 0.00 2.01 0.00 0.00 34.83 36.76 3hfa s MET 156 CO 0.05 -0.03 0.00 0.41 -0.01 0.00 0.00 175.02 175.44 3hfa n GLY 157 N 2.22 -1.77 7.00 -0.03 0.00 -1.26 -0.34 105.19 111.02 3hfa n GLY 157 Ca -0.19 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.78 1.01 3.49 -0.02 0.00 -0.44 -4.19 105.19 104.26 3hfa n GLY 158 Ca 0.00 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 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 4.30 -0.15 2.61 -4.23 -1.26 -4.54 115.64 112.37 3hfa s THR 159 Ca 0.00 -0.02 0.16 0.00 -1.18 0.00 0.00 61.69 60.65 3hfa s THR 159 Cb 0.00 -4.64 -0.00 0.00 1.34 0.00 0.00 72.50 69.19 3hfa s THR 159 CO 0.00 -1.35 1.22 0.71 -0.54 0.00 0.00 174.62 174.67 3hfa h THR 160 N 6.00 0.69 0.02 3.99 1.35 -1.96 -3.39 112.91 119.61 3hfa h THR 160 Ca -0.28 -2.08 0.03 0.00 -0.55 0.00 0.00 66.41 63.54 3hfa h THR 160 Cb 1.07 2.25 -0.05 0.00 -1.73 0.00 0.00 68.15 69.69 3hfa h THR 160 CO 1.15 0.40 -0.36 -0.08 -0.25 0.00 0.00 175.52 176.38 3hfa h GLU 161 N 0.00 -0.51 -0.64 4.72 4.57 -1.95 0.43 114.58 121.20 3hfa h GLU 161 Ca -0.06 0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3hfa h GLU 161 Cb 1.43 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 30.10 3hfa h GLU 161 CO 0.06 -0.34 0.42 -1.35 -1.18 0.00 0.00 179.01 176.61 3hfa h PRO 162 N -0.53 0.82 -0.39 0.92 0.11 -1.83 0.16 132.00 131.25 3hfa h PRO 162 Ca 0.05 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3hfa h PRO 162 Cb 0.60 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 3hfa h PRO 162 CO -0.27 0.54 0.11 0.82 -0.21 0.00 0.00 178.00 178.99 3hfa h ILE 163 N 0.84 1.22 -0.55 4.15 2.04 -1.55 -0.69 117.51 122.97 3hfa h ILE 163 Ca 0.24 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 3hfa h ILE 163 Cb -0.06 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3hfa h ILE 163 CO -0.07 0.26 0.24 0.00 0.00 0.00 0.00 178.15 178.58 3hfa h ALA 164 N 0.96 0.71 -0.69 1.87 0.00 0.37 -0.40 119.26 122.07 3hfa h ALA 164 Ca 0.13 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3hfa h ALA 164 Cb 0.28 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3hfa h ALA 164 CO -0.00 0.30 0.25 -0.91 0.00 0.00 0.00 179.25 178.89 3hfa h ASN 165 N 0.74 0.98 -0.66 0.00 2.35 -0.56 -0.27 115.58 118.16 3hfa h ASN 165 Ca 0.19 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3hfa h ASN 165 Cb 0.16 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 3hfa h ASN 165 CO -0.02 0.90 0.32 0.00 -1.65 0.00 0.00 177.43 176.98 3hfa h ALA 166 N 1.11 0.84 -0.72 -0.83 0.00 -0.70 -0.92 119.26 118.05 3hfa h ALA 166 Ca 0.23 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3hfa h ALA 166 Cb 0.25 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3hfa h ALA 166 CO -0.01 0.40 0.24 -0.07 0.00 0.00 0.00 179.25 179.81 3hfa h LEU 167 N 0.90 1.03 -0.64 0.00 4.07 -0.65 -0.16 115.31 119.87 3hfa h LEU 167 Ca 0.23 -0.20 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 3hfa h LEU 167 Cb 0.11 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.55 3hfa h LEU 167 CO -0.03 0.96 0.36 0.50 -1.08 0.00 0.00 178.44 179.15 3hfa h LYS 168 N 1.05 0.89 -0.37 1.13 3.64 -0.60 0.19 116.57 122.50 3hfa h LYS 168 Ca 0.23 -0.10 -0.09 0.00 -1.27 0.00 0.00 60.65 59.42 3hfa h LYS 168 Cb 0.29 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3hfa h LYS 168 CO -0.01 0.67 -0.13 1.49 -2.27 0.00 0.00 179.45 179.20 3hfa h GLU 169 N 0.88 0.75 -0.29 1.90 4.57 -0.73 -3.35 114.58 118.31 3hfa h GLU 169 Ca 0.23 -0.30 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3hfa h GLU 169 Cb 0.03 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3hfa h GLU 169 CO -0.04 0.91 0.00 -1.13 -1.18 0.00 0.00 179.01 177.57 3hfa n SER 170 N -4.33 2.92 -4.67 1.04 3.41 -0.11 -4.99 113.62 106.89 3hfa n SER 170 Ca -0.02 -1.86 -0.41 0.00 -0.26 0.00 0.00 58.87 56.32 3hfa n SER 170 Cb 0.38 -0.18 -0.04 0.00 -0.26 0.00 0.00 64.21 64.10 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 -1.19 3.41 -0.11 7.33 5.04 0.65 -4.97 117.35 127.52 3hfa s TYR 171 Ca 0.28 1.24 0.03 0.00 -2.44 0.00 0.00 57.07 56.18 3hfa s TYR 171 Cb 0.16 -3.01 0.00 0.00 0.35 0.00 0.00 41.96 39.46 3hfa s TYR 171 CO 0.22 -0.25 -0.22 0.00 -1.34 0.00 0.00 175.55 173.97 3hfa s ALA 172 N 2.18 2.25 0.32 3.97 0.00 -1.26 -4.99 121.76 124.22 3hfa s ALA 172 Ca 0.38 -0.99 -0.29 0.00 0.00 0.00 0.00 51.96 51.06 3hfa s ALA 172 Cb -0.16 -0.91 -0.11 0.00 0.00 0.00 0.00 23.12 21.94 3hfa s ALA 172 CO 0.12 0.21 1.49 -2.00 0.00 0.00 0.00 175.76 175.58 3hfa s GLU 173 N 0.46 4.17 -1.27 0.00 2.12 -1.26 -2.96 118.70 119.96 3hfa s GLU 173 Ca -0.15 2.48 -0.01 0.00 0.36 0.00 0.00 54.97 57.65 3hfa s GLU 173 Cb -0.17 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.20 3hfa s GLU 173 CO 0.06 -0.51 0.15 0.09 -0.54 0.00 0.00 175.26 174.51 3hfa n ASN 174 N 1.42 -4.75 -4.73 -1.70 3.02 -1.26 -4.93 115.26 102.33 3hfa n ASN 174 Ca 0.04 -0.08 -0.32 0.00 -0.03 0.00 0.00 54.58 54.19 3hfa n ASN 174 Cb 0.39 -3.79 0.11 0.00 -0.61 0.00 0.00 39.78 35.88 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 -2.85 2.01 0.88 5.41 0.00 -1.15 -4.14 121.76 121.92 3hfa s ALA 175 Ca 0.07 0.52 -0.12 0.00 0.00 0.00 0.00 51.96 52.43 3hfa s ALA 175 Cb -0.03 -3.37 0.12 0.00 0.00 0.00 0.00 23.12 19.84 3hfa s ALA 175 CO 0.09 -2.04 1.09 -1.54 0.00 0.00 0.00 175.76 173.37 3hfa s SER 176 N -2.82 3.65 0.15 0.00 1.04 -1.26 -2.04 113.70 112.42 3hfa s SER 176 Ca 0.66 1.41 -0.17 0.00 0.48 0.00 0.00 55.95 58.33 3hfa s SER 176 Cb -0.21 -2.10 0.04 0.00 0.10 0.00 0.00 66.02 63.85 3hfa s SER 176 CO 0.53 -2.52 1.72 0.25 0.98 0.00 0.00 173.24 174.20 3hfa h LEU 177 N -1.47 -0.03 -0.41 2.42 5.85 -1.98 0.14 115.31 119.82 3hfa h LEU 177 Ca -0.49 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 3hfa h LEU 177 Cb 1.28 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.38 3hfa h LEU 177 CO 0.56 0.02 0.24 0.74 -0.34 0.00 0.00 178.44 179.66 3hfa h THR 178 N 0.15 1.14 -0.46 1.05 2.02 -1.92 0.54 112.91 115.42 3hfa h THR 178 Ca 0.15 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 66.94 3hfa h THR 178 Cb 0.18 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 3hfa h THR 178 CO -0.21 0.14 0.09 0.44 0.37 0.00 0.00 175.52 176.35 3hfa h ASP 179 N 0.54 0.73 -0.50 4.18 3.32 -1.86 -1.81 116.42 121.01 3hfa h ASP 179 Ca 0.15 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 56.95 3hfa h ASP 179 Cb 0.02 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 3hfa h ASP 179 CO -0.03 0.79 0.33 0.00 -1.72 0.00 0.00 179.24 178.61 3hfa h ALA 180 N 0.96 0.64 -0.78 3.45 0.00 -0.44 -0.80 119.26 122.30 3hfa h ALA 180 Ca 0.14 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3hfa h ALA 180 Cb 0.37 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3hfa h ALA 180 CO 0.01 0.07 0.42 1.25 0.00 0.00 0.00 179.25 181.00 3hfa h LEU 181 N 0.67 0.97 -0.10 0.00 6.46 -0.73 -0.39 115.31 122.20 3hfa h LEU 181 Ca 0.19 -0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.83 3hfa h LEU 181 Cb -0.07 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 39.61 3hfa h LEU 181 CO -0.05 0.80 -0.02 -0.09 -0.62 0.00 0.00 178.44 178.46 3hfa h ARG 182 N 1.08 0.18 -0.59 1.25 2.43 -1.07 0.05 114.38 117.70 3hfa h ARG 182 Ca 0.27 -0.07 0.12 0.00 -0.81 0.00 0.00 59.98 59.49 3hfa h ARG 182 Cb 0.04 -0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.49 3hfa h ARG 182 CO -0.04 0.48 0.05 0.82 -1.51 0.00 0.00 179.97 179.77 3hfa h ILE 183 N -0.14 0.56 0.03 1.20 2.04 -0.97 -0.80 117.51 119.44 3hfa h ILE 183 Ca 0.02 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 3hfa h ILE 183 Cb 0.41 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3hfa h ILE 183 CO 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 178.15 178.17 3hfa h ALA 184 N 1.52 -0.04 -0.98 1.87 0.00 -0.88 -0.68 119.26 120.07 3hfa h ALA 184 Ca 0.31 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.08 3hfa h ALA 184 Cb 0.49 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 3hfa h ALA 184 CO -0.47 -0.34 0.64 0.28 0.00 0.00 0.00 179.25 179.37 3hfa h VAL 185 N -0.41 1.15 0.12 0.00 2.07 -0.84 -0.56 116.25 117.78 3hfa h VAL 185 Ca -0.00 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 3hfa h VAL 185 Cb 0.38 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 3hfa h VAL 185 CO 0.01 0.22 -0.06 0.00 0.02 0.00 0.00 177.57 177.76 3hfa h ALA 186 N 1.41 -0.16 -0.86 1.67 0.00 -1.06 -2.10 119.26 118.16 3hfa h ALA 186 Ca 0.40 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.32 3hfa h ALA 186 Cb 0.04 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 3hfa h ALA 186 CO -0.13 -0.46 0.56 0.00 0.00 0.00 0.00 179.25 179.22 3hfa h ALA 187 N 0.44 1.97 -0.47 0.00 0.00 -0.72 -0.06 119.26 120.41 3hfa h ALA 187 Ca -0.02 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3hfa h ALA 187 Cb 0.33 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3hfa h ALA 187 CO 0.03 -0.21 -0.09 1.25 0.00 0.00 0.00 179.25 180.22 3hfa h LEU 188 N 0.57 0.85 -0.34 0.00 5.85 -0.83 -3.15 115.31 118.25 3hfa h LEU 188 Ca 0.44 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.95 3hfa h LEU 188 Cb 0.84 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 3hfa h LEU 188 CO -0.18 0.97 0.10 0.03 -0.34 0.00 0.00 178.44 179.01 3hfa h ARG 189 N 0.77 0.22 0.00 1.25 3.08 -0.31 -3.48 114.38 115.92 3hfa h ARG 189 Ca 0.13 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3hfa h ARG 189 Cb 0.60 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3hfa h ARG 189 CO 0.04 0.15 0.00 0.00 -1.07 0.00 0.00 179.97 179.09 3hfa n ALA 190 N -2.36 0.12 0.00 0.04 0.00 -1.18 -5.09 120.51 112.04 3hfa n ALA 190 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3hfa n ALA 190 Cb 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 0.03 0.00 0.00 0.00 4.32 -1.26 -4.08 117.00 116.01 3hfa n LEU 203 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.86 3hfa n LEU 203 Cb 0.00 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 41.86 3hfa n LEU 203 CO 0.00 0.00 0.28 0.61 -1.22 0.00 0.00 177.39 177.06 3hfa n GLY 204 N 0.00 1.41 0.42 -0.72 0.00 -1.26 -4.92 105.19 100.12 3hfa n GLY 204 Ca 0.00 -2.11 0.22 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.19 0.65 0.00 1.61 2.07 -1.95 -1.59 116.25 116.85 3hfa h VAL 205 Ca -0.19 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3hfa h VAL 205 Cb 0.78 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3hfa h VAL 205 CO 0.24 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.87 3hfa h ALA 206 N 1.61 1.00 0.00 1.67 0.00 -1.93 -3.14 119.26 118.47 3hfa h ALA 206 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3hfa h ALA 206 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3hfa h ALA 206 CO -0.10 0.00 -0.00 -1.13 0.00 0.00 0.00 179.25 178.02 3hfa n SER 207 N -2.54 1.93 -4.28 0.00 3.41 -0.63 -4.51 113.62 107.00 3hfa n SER 207 Ca 0.03 -1.99 -0.29 0.00 -0.26 0.00 0.00 58.87 56.36 3hfa n SER 207 Cb 0.33 -0.01 -0.16 0.00 -0.26 0.00 0.00 64.21 64.12 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 -1.01 2.07 -0.21 1.04 1.43 -1.03 -0.55 118.68 120.42 3hfa s LEU 208 Ca 0.01 -0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 52.61 3hfa s LEU 208 Cb 0.01 -1.21 -0.01 0.00 0.03 0.00 0.00 46.19 45.01 3hfa s LEU 208 CO 0.00 0.28 -0.05 -0.70 0.23 0.00 0.00 176.35 176.11 3hfa s GLU 209 N -0.70 3.39 -0.01 1.70 2.12 -0.29 -4.78 118.70 120.12 3hfa s GLU 209 Ca 0.09 -0.62 0.04 0.00 0.36 0.00 0.00 54.97 54.84 3hfa s GLU 209 Cb -0.09 -2.99 -0.01 0.00 0.26 0.00 0.00 34.13 31.30 3hfa s GLU 209 CO -0.00 -0.16 -0.12 0.08 -0.54 0.00 0.00 175.26 174.52 3hfa s VAL 210 N 1.37 1.00 0.09 3.70 1.01 -1.26 -1.45 120.40 124.86 3hfa s VAL 210 Ca 0.04 -0.53 -0.19 0.00 0.00 0.00 0.00 61.98 61.31 3hfa s VAL 210 Cb -0.14 -0.84 0.04 0.00 0.00 0.00 0.00 36.38 35.44 3hfa s VAL 210 CO -0.02 0.29 0.46 0.00 0.00 0.00 0.00 175.10 175.82 3hfa s ALA 211 N -0.20 -1.14 0.17 5.51 0.00 -0.85 -1.10 121.76 124.15 3hfa s ALA 211 Ca 0.03 0.26 0.07 0.00 0.00 0.00 0.00 51.96 52.32 3hfa s ALA 211 Cb -0.06 0.57 -0.04 0.00 0.00 0.00 0.00 23.12 23.58 3hfa s ALA 211 CO -0.00 -0.59 -0.14 0.14 0.00 0.00 0.00 175.76 175.18 3hfa s VAL 212 N -3.18 1.51 -0.45 0.00 -7.23 -0.25 -0.40 120.40 110.40 3hfa s VAL 212 Ca -0.01 -2.04 -0.09 0.00 -1.81 0.00 0.00 61.98 58.04 3hfa s VAL 212 Cb 0.00 -1.86 0.11 0.00 0.56 0.00 0.00 36.38 35.19 3hfa s VAL 212 CO -0.08 -0.57 0.32 -0.76 -0.31 0.00 0.00 175.10 173.70 3hfa s LEU 213 N -3.03 5.54 -0.50 1.32 1.43 0.15 -1.65 118.68 121.94 3hfa s LEU 213 Ca 0.17 -1.83 -0.21 0.00 -1.03 0.00 0.00 54.13 51.23 3hfa s LEU 213 Cb -0.01 -1.99 0.04 0.00 0.03 0.00 0.00 46.19 44.26 3hfa s LEU 213 CO 0.04 -0.65 0.74 -0.62 0.23 0.00 0.00 176.35 176.10 3hfa s ASP 214 N 2.49 6.30 0.00 2.29 2.15 0.09 -1.58 116.67 128.41 3hfa s ASP 214 Ca 0.05 -0.55 0.16 0.00 0.43 0.00 0.00 52.55 52.64 3hfa s ASP 214 Cb -0.25 -2.35 0.70 0.00 -0.30 0.00 0.00 42.92 40.71 3hfa s ASP 214 CO -0.00 -0.98 1.50 0.00 -0.17 0.00 0.00 175.17 175.51 3hfa n ALA 215 N 6.65 1.75 0.77 3.66 0.00 -0.88 -2.13 120.51 130.34 3hfa n ALA 215 Ca -0.02 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.49 3hfa n ALA 215 Cb 0.47 -1.26 0.37 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.46 0.52 -4.78 0.00 2.85 -1.26 -4.42 115.26 106.71 3hfa n ASN 216 Ca 0.04 0.30 -0.37 0.00 -0.11 0.00 0.00 54.58 54.45 3hfa n ASN 216 Cb 0.18 -0.30 -0.03 0.00 1.24 0.00 0.00 39.78 40.87 3hfa n ASN 216 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 3hfa s ARG 217 N -3.08 3.96 0.05 1.20 1.81 -0.90 -4.98 118.95 117.00 3hfa s ARG 217 Ca 0.10 1.63 -0.25 0.00 -1.72 0.00 0.00 55.73 55.50 3hfa s ARG 217 Cb 0.15 -2.46 -0.17 0.00 -0.45 0.00 0.00 34.95 32.02 3hfa s ARG 217 CO 0.63 -0.35 1.53 -1.35 -0.68 0.00 0.00 175.30 175.09 3hfa h PRO 218 N 2.25 -0.10 0.00 3.54 0.11 -1.89 -3.39 132.00 132.51 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 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3hfa h PRO 218 CO 0.61 0.10 0.00 -2.13 -0.21 0.00 0.00 178.00 176.38 3hfa n ARG 219 N -5.05 0.00 -2.78 1.05 0.63 -1.26 -4.34 116.66 104.92 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 0.14 -0.13 -0.04 0.00 0.45 0.00 0.00 32.46 32.89 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 -1.34 3.30 0.38 -0.14 0.52 -1.26 -4.41 118.95 115.99 3hfa s ARG 220 Ca 0.00 -0.30 0.20 0.00 -0.52 0.00 0.00 55.73 55.11 3hfa s ARG 220 Cb 0.00 -4.09 0.56 0.00 0.52 0.00 0.00 34.95 31.94 3hfa s ARG 220 CO 0.00 -1.64 1.67 0.00 0.02 0.00 0.00 175.30 175.35 3hfa h ALA 221 N 9.46 0.90 -2.41 2.13 0.00 -1.23 -3.45 119.26 124.66 3hfa h ALA 221 Ca -0.27 -0.30 -0.54 0.00 0.00 0.00 0.00 54.91 53.80 3hfa h ALA 221 Cb 1.07 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 3hfa h ALA 221 CO 1.14 0.42 0.70 0.12 0.00 0.00 0.00 179.25 181.63 3hfa s PHE 222 N -3.39 3.17 -0.11 0.00 5.36 -1.26 -0.73 117.98 121.01 3hfa s PHE 222 Ca 0.02 1.09 -0.07 0.00 -0.96 0.00 0.00 56.93 57.01 3hfa s PHE 222 Cb 0.09 -3.52 0.04 0.00 -0.34 0.00 0.00 43.02 39.29 3hfa s PHE 222 CO 0.68 -1.76 0.27 -0.98 -1.46 0.00 0.00 175.22 171.97 3hfa s ARG 223 N 1.82 0.26 0.41 10.12 1.70 -0.66 -4.96 118.95 127.64 3hfa s ARG 223 Ca 0.60 0.48 -0.22 0.00 -0.47 0.00 0.00 55.73 56.12 3hfa s ARG 223 Cb -0.29 0.00 -0.11 0.00 -0.57 0.00 0.00 34.95 33.98 3hfa s ARG 223 CO 0.26 -0.11 0.95 1.03 -1.08 0.00 0.00 175.30 176.36 3hfa s ARG 224 N 0.79 4.29 -0.28 3.89 0.52 -1.26 -1.09 118.95 125.81 3hfa s ARG 224 Ca -0.05 1.16 0.02 0.00 -0.52 0.00 0.00 55.73 56.34 3hfa s ARG 224 Cb -0.07 -2.30 0.06 0.00 0.52 0.00 0.00 34.95 33.17 3hfa s ARG 224 CO -0.05 0.02 -0.06 0.42 0.02 0.00 0.00 175.30 175.65 3hfa s ILE 225 N -2.07 2.34 0.23 1.52 1.01 -0.26 -4.92 121.20 119.06 3hfa s ILE 225 Ca 0.60 -1.70 0.03 0.00 0.00 0.00 0.00 60.65 59.58 3hfa s ILE 225 Cb -0.11 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.88 3hfa s ILE 225 CO 0.15 -0.13 0.01 0.42 0.00 0.00 0.00 174.94 175.39 3hfa s THR 226 N 1.10 0.95 0.00 2.92 -4.23 -1.26 -4.28 115.64 110.84 3hfa s THR 226 Ca -0.05 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 3hfa s THR 226 Cb -0.20 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.27 3hfa s THR 226 CO -0.05 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.35 3hfa n GLY 227 N -0.42 3.12 0.20 3.99 0.00 -1.26 -2.63 105.19 108.20 3hfa n GLY 227 Ca -0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 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 0.51 0.18 -0.41 1.61 4.64 -1.98 -0.70 113.55 117.39 3hfa h SER 228 Ca 0.00 0.06 0.04 0.00 -0.47 0.00 0.00 61.79 61.42 3hfa h SER 228 Cb 0.00 0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 3hfa h SER 228 CO 0.00 0.13 0.18 0.00 -0.87 0.00 0.00 176.83 176.27 3hfa h ALA 229 N 1.35 0.50 -0.82 5.18 0.00 -1.91 -1.49 119.26 122.06 3hfa h ALA 229 Ca 0.25 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 3hfa h ALA 229 Cb 0.27 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3hfa h ALA 229 CO -0.26 -0.19 0.40 1.25 0.00 0.00 0.00 179.25 180.45 3hfa h LEU 230 N 0.37 1.07 -1.26 0.00 5.85 -1.22 -2.71 115.31 117.41 3hfa h LEU 230 Ca 0.18 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.81 3hfa h LEU 230 Cb 0.12 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 3hfa h LEU 230 CO -0.15 0.90 0.51 -0.61 -0.34 0.00 0.00 178.44 178.75 3hfa h GLN 231 N 1.17 0.93 -0.15 1.25 5.75 -0.22 -2.41 115.11 121.44 3hfa h GLN 231 Ca 0.28 -0.06 -0.14 0.00 -0.15 0.00 0.00 58.65 58.59 3hfa h GLN 231 Cb 0.11 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.44 3hfa h GLN 231 CO -0.04 0.62 -0.52 0.00 -2.65 0.00 0.00 178.83 176.24 3hfa h ALA 232 N 1.54 0.84 0.00 3.38 0.00 -0.98 -3.10 119.26 120.94 3hfa h ALA 232 Ca 0.31 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 3hfa h ALA 232 Cb 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3hfa h ALA 232 CO -0.09 0.68 -0.56 -0.07 0.00 0.00 0.00 179.25 179.21 3hfa h LEU 233 N 0.32 0.00 0.00 0.00 4.07 -1.35 -3.52 115.31 114.83 3hfa h LEU 233 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 3hfa h LEU 233 Cb 1.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.76 3hfa h LEU 233 CO 0.09 0.56 0.00 0.18 -1.08 0.00 0.00 178.44 178.19