#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 0.61 -0.69 2.12 4.81 -2.05 0.11 114.58 119.49 3hfa h GLU 10 Ca 0.00 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 3hfa h GLU 10 Cb 0.00 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 3hfa h GLU 10 CO 0.00 0.40 0.25 0.37 -0.73 0.00 0.00 179.01 179.30 3hfa h GLN 11 N 0.63 1.05 -0.72 1.92 -0.00 -2.05 -0.57 115.11 115.37 3hfa h GLN 11 Ca 0.45 -0.21 -0.03 0.00 -0.00 0.00 0.00 58.65 58.86 3hfa h GLN 11 Cb 0.62 -0.16 -0.03 0.00 0.00 0.00 0.00 27.48 27.90 3hfa h GLN 11 CO -0.35 0.89 0.33 0.00 0.00 0.00 0.00 178.83 179.70 3hfa h ALA 12 N 1.11 0.92 -0.69 3.38 0.00 -1.43 -0.37 119.26 122.18 3hfa h ALA 12 Ca 0.23 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3hfa h ALA 12 Cb 0.25 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3hfa h ALA 12 CO -0.01 0.50 0.19 0.52 0.00 0.00 0.00 179.25 180.45 3hfa h MET 13 N 1.01 1.10 -0.69 0.00 2.86 -0.47 -0.59 114.93 118.14 3hfa h MET 13 Ca 0.24 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3hfa h MET 13 Cb 0.14 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 3hfa h MET 13 CO -0.03 0.96 0.30 -0.09 1.06 0.00 0.00 176.91 179.11 3hfa h ARG 14 N 1.03 1.02 -0.58 1.72 2.43 -0.64 -0.44 114.38 118.92 3hfa h ARG 14 Ca 0.22 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3hfa h ARG 14 Cb 0.34 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 3hfa h ARG 14 CO -0.00 0.83 0.29 0.93 -1.51 0.00 0.00 179.97 180.51 3hfa h GLU 15 N 0.98 0.83 -0.63 0.20 5.08 -0.59 -0.37 114.58 120.08 3hfa h GLU 15 Ca 0.23 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 3hfa h GLU 15 Cb 0.17 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 3hfa h GLU 15 CO -0.02 0.67 0.22 0.00 -1.00 0.00 0.00 179.01 178.87 3hfa h ARG 16 N 0.79 0.96 -0.77 2.33 3.08 -0.69 -0.66 114.38 119.42 3hfa h ARG 16 Ca 0.20 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 3hfa h ARG 16 Cb 0.10 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 3hfa h ARG 16 CO -0.03 0.83 0.36 1.03 -1.07 0.00 0.00 179.97 181.10 3hfa h SER 17 N 0.89 1.02 -0.63 7.04 0.87 -0.66 -2.41 113.55 119.68 3hfa h SER 17 Ca 0.21 -0.14 -0.06 0.00 -1.23 0.00 0.00 61.79 60.56 3hfa h SER 17 Cb 0.25 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 3hfa h SER 17 CO -0.01 0.88 0.15 -0.08 -0.53 0.00 0.00 176.83 177.24 3hfa h GLU 18 N 1.10 1.01 -0.67 2.24 4.57 -0.62 -1.32 114.58 120.89 3hfa h GLU 18 Ca 0.26 -0.25 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 3hfa h GLU 18 Cb 0.13 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 3hfa h GLU 18 CO -0.03 0.92 0.30 1.25 -1.18 0.00 0.00 179.01 180.26 3hfa h LEU 19 N 0.93 0.90 -0.09 1.64 6.46 -0.72 -1.62 115.31 122.82 3hfa h LEU 19 Ca 0.20 -0.15 -0.04 0.00 -0.12 0.00 0.00 57.88 57.77 3hfa h LEU 19 Cb 0.36 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.06 3hfa h LEU 19 CO 0.00 0.80 -0.09 0.00 -0.62 0.00 0.00 178.44 178.54 3hfa h ALA 20 N 1.13 0.13 -0.55 1.25 0.00 -1.39 -2.52 119.26 117.31 3hfa h ALA 20 Ca 0.23 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.91 3hfa h ALA 20 Cb 0.16 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 3hfa h ALA 20 CO -0.02 -0.05 0.25 -0.09 0.00 0.00 0.00 179.25 179.34 3hfa h ARG 21 N -0.21 0.45 -0.36 0.00 2.43 -1.15 -1.20 114.38 114.35 3hfa h ARG 21 Ca 0.01 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3hfa h ARG 21 Cb 0.60 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 3hfa h ARG 21 CO 0.02 0.30 0.13 0.87 -1.51 0.00 0.00 179.97 179.78 3hfa h LYS 22 N 0.47 0.54 -0.49 0.20 1.57 -1.31 -0.56 116.57 116.99 3hfa h LYS 22 Ca 0.26 -0.11 0.04 0.00 -1.87 0.00 0.00 60.65 58.97 3hfa h LYS 22 Cb 0.23 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 3hfa h LYS 22 CO -0.22 0.54 0.25 0.78 -0.57 0.00 0.00 179.45 180.24 3hfa h GLY 23 N 0.43 0.69 0.94 3.86 0.00 -0.99 -1.56 103.07 106.44 3hfa h GLY 23 Ca 0.12 -0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.21 3hfa h GLY 23 CO -0.01 0.11 -0.04 -2.22 0.00 0.00 0.00 176.54 174.39 3hfa h ILE 24 N 0.49 1.27 0.00 2.60 2.04 -1.08 -2.40 117.51 120.43 3hfa h ILE 24 Ca 0.22 -1.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 3hfa h ILE 24 Cb 0.12 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3hfa h ILE 24 CO -0.15 0.36 -0.02 0.00 0.00 0.00 0.00 178.15 178.34 3hfa h ALA 25 N 0.85 1.17 -0.01 1.87 0.00 -0.82 -0.25 119.26 122.09 3hfa h ALA 25 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hfa h ALA 25 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3hfa h ALA 25 CO 0.03 0.02 -0.31 -2.13 0.00 0.00 0.00 179.25 176.86 3hfa n ARG 26 N -3.35 0.61 -2.64 0.00 0.63 -0.61 -3.80 116.66 107.50 3hfa n ARG 26 Ca -0.02 -0.35 -0.21 0.00 -0.92 0.00 0.00 57.85 56.34 3hfa n ARG 26 Cb 0.12 -1.49 0.04 0.00 0.45 0.00 0.00 32.46 31.57 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 -2.63 3.89 0.64 5.13 0.00 -0.32 -4.90 121.76 123.57 3hfa s ALA 27 Ca 0.21 -1.32 -0.12 0.00 0.00 0.00 0.00 51.96 50.72 3hfa s ALA 27 Cb 0.19 -2.08 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 3hfa s ALA 27 CO 0.56 -0.75 1.05 0.15 0.00 0.00 0.00 175.76 176.77 3hfa s LYS 28 N -4.76 3.24 0.28 0.00 1.02 -1.26 -1.88 119.74 116.37 3hfa s LYS 28 Ca 0.57 0.98 -0.02 0.00 0.02 0.00 0.00 55.97 57.51 3hfa s LYS 28 Cb -0.10 -2.03 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 3hfa s LYS 28 CO 0.38 -0.86 0.51 -1.12 -0.92 0.00 0.00 175.35 173.34 3hfa s SER 29 N -3.56 6.39 -0.02 2.83 0.01 -1.26 -4.28 113.70 113.81 3hfa s SER 29 Ca 0.59 0.56 -0.03 0.00 1.31 0.00 0.00 55.95 58.38 3hfa s SER 29 Cb -0.14 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 64.02 3hfa s SER 29 CO 0.48 -0.18 0.07 -0.69 0.41 0.00 0.00 173.24 173.33 3hfa s VAL 30 N -2.08 0.03 0.07 3.43 1.01 0.24 -1.52 120.40 121.56 3hfa s VAL 30 Ca 0.41 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.23 3hfa s VAL 30 Cb -0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 3hfa s VAL 30 CO 0.31 -0.12 -0.14 0.68 0.00 0.00 0.00 175.10 175.83 3hfa s VAL 31 N -0.34 1.14 -0.06 2.92 -7.23 -0.04 -0.80 120.40 115.98 3hfa s VAL 31 Ca -0.04 -1.25 0.02 0.00 -1.81 0.00 0.00 61.98 58.90 3hfa s VAL 31 Cb -0.03 -1.08 0.01 0.00 0.56 0.00 0.00 36.38 35.85 3hfa s VAL 31 CO 0.00 -0.17 -0.12 0.00 -0.31 0.00 0.00 175.10 174.50 3hfa s ALA 32 N -1.18 1.21 -0.03 1.32 0.00 -0.21 -1.46 121.76 121.40 3hfa s ALA 32 Ca -0.01 -0.39 0.03 0.00 0.00 0.00 0.00 51.96 51.59 3hfa s ALA 32 Cb -0.10 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.48 3hfa s ALA 32 CO 0.02 0.11 -0.11 -0.51 0.00 0.00 0.00 175.76 175.27 3hfa s LEU 33 N 0.65 1.80 0.35 0.00 1.02 -0.40 -0.84 118.68 121.26 3hfa s LEU 33 Ca -0.14 -0.24 -0.27 0.00 0.02 0.00 0.00 54.13 53.51 3hfa s LEU 33 Cb -0.15 -0.67 -0.09 0.00 0.02 0.00 0.00 46.19 45.29 3hfa s LEU 33 CO 0.03 0.08 1.12 0.00 0.02 0.00 0.00 176.35 177.61 3hfa s ALA 34 N 0.19 3.26 0.30 4.21 0.00 -0.16 -0.88 121.76 128.69 3hfa s ALA 34 Ca -0.04 0.89 -0.08 0.00 0.00 0.00 0.00 51.96 52.72 3hfa s ALA 34 Cb -0.10 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.69 3hfa s ALA 34 CO 0.01 -0.30 0.49 1.52 0.00 0.00 0.00 175.76 177.48 3hfa s TYR 35 N -1.35 0.66 0.26 0.00 -0.85 0.22 -4.60 117.35 111.68 3hfa s TYR 35 Ca 0.51 -0.99 -0.04 0.00 -0.52 0.00 0.00 57.07 56.03 3hfa s TYR 35 Cb -0.30 0.11 0.33 0.00 0.38 0.00 0.00 41.96 42.48 3hfa s TYR 35 CO 0.38 -1.09 1.92 0.00 -1.52 0.00 0.00 175.55 175.23 3hfa h ALA 36 N 2.19 1.34 -0.48 9.51 0.00 -1.49 -1.93 119.26 128.41 3hfa h ALA 36 Ca -0.28 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 3hfa h ALA 36 Cb 1.25 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3hfa h ALA 36 CO 0.38 0.58 0.03 0.78 0.00 0.00 0.00 179.25 181.02 3hfa h GLY 37 N 1.28 0.83 0.00 0.00 0.00 -1.92 -3.49 103.07 99.77 3hfa h GLY 37 Ca 0.39 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3hfa h GLY 37 CO -0.11 0.49 0.00 0.61 0.00 0.00 0.00 176.54 177.53 3hfa n GLY 38 N -0.72 -0.07 3.64 4.60 0.00 -0.73 -2.31 105.19 109.61 3hfa n GLY 38 Ca 0.03 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.64 4.52 -0.13 1.61 1.01 -1.02 0.68 120.40 123.43 3hfa s VAL 39 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 3hfa s VAL 39 Cb 0.00 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 3hfa s VAL 39 CO 0.00 0.53 -0.08 -0.22 0.00 0.00 0.00 175.10 175.32 3hfa s LEU 40 N -0.16 2.99 -0.16 3.92 2.96 -0.05 -0.38 118.68 127.80 3hfa s LEU 40 Ca 0.06 -0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 53.73 3hfa s LEU 40 Cb -0.12 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 3hfa s LEU 40 CO 0.02 0.19 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.83 3hfa s PHE 41 N 0.21 2.98 -0.05 5.38 0.08 0.11 -1.27 117.98 125.43 3hfa s PHE 41 Ca -0.05 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 56.59 3hfa s PHE 41 Cb -0.15 -1.95 0.03 0.00 -0.57 0.00 0.00 43.02 40.38 3hfa s PHE 41 CO 0.04 -0.10 -0.00 0.08 -0.10 0.00 0.00 175.22 175.13 3hfa s VAL 42 N 0.45 0.31 -0.01 -0.44 1.01 -0.54 -2.24 120.40 118.95 3hfa s VAL 42 Ca -0.05 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.06 3hfa s VAL 42 Cb -0.15 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 3hfa s VAL 42 CO 0.03 0.22 -0.11 0.00 0.00 0.00 0.00 175.10 175.24 3hfa s ALA 43 N 1.55 0.89 -0.19 5.51 0.00 -0.59 -0.86 121.76 128.07 3hfa s ALA 43 Ca -0.02 -0.47 -0.29 0.00 0.00 0.00 0.00 51.96 51.19 3hfa s ALA 43 Cb -0.13 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 3hfa s ALA 43 CO -0.03 0.22 1.88 -1.21 0.00 0.00 0.00 175.76 176.62 3hfa s GLU 44 N -0.28 3.60 -0.26 0.00 2.02 -0.58 -1.06 118.70 122.14 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 -0.04 -4.18 0.15 0.00 0.10 0.00 0.00 34.13 30.16 3hfa s GLU 44 CO -0.00 -1.55 0.43 1.21 0.02 0.00 0.00 175.26 175.36 3hfa s ASN 45 N 5.72 -0.05 0.17 -0.19 3.84 0.13 -4.67 114.94 119.89 3hfa s ASN 45 Ca 0.84 0.20 -0.03 0.00 0.21 0.00 0.00 52.86 54.08 3hfa s ASN 45 Cb -0.30 1.31 0.05 0.00 -0.55 0.00 0.00 41.25 41.76 3hfa s ASN 45 CO 0.34 -0.30 1.44 -0.65 -2.79 0.00 0.00 177.10 175.13 3hfa h PRO 46 N 8.14 0.47 -6.86 0.43 0.11 -1.79 -3.22 132.00 129.28 3hfa h PRO 46 Ca -0.17 -0.36 -0.56 0.00 0.11 0.00 0.00 66.00 65.01 3hfa h PRO 46 Cb 1.15 0.07 0.13 0.00 0.11 0.00 0.00 31.00 32.46 3hfa h PRO 46 CO 0.27 0.99 0.45 0.45 -0.21 0.00 0.00 178.00 179.95 3hfa n SER 47 N -3.87 2.29 0.07 -2.05 2.88 -1.26 -4.77 113.62 106.90 3hfa n SER 47 Ca -0.04 1.04 -0.12 0.00 -1.33 0.00 0.00 58.87 58.42 3hfa n SER 47 Cb 0.69 -1.49 -0.13 0.00 -0.75 0.00 0.00 64.21 62.52 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 1.73 0.13 0.00 -1.46 0.11 -1.93 -3.42 114.38 109.55 3hfa h ARG 48 Ca -0.48 -0.23 0.00 0.00 0.10 0.00 0.00 59.98 59.37 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 1.06 -0.59 -1.13 0.10 0.00 0.00 179.97 179.99 3hfa n SER 49 N -3.41 2.94 -4.65 0.08 3.41 -1.26 -5.00 113.62 105.74 3hfa n SER 49 Ca -0.07 -0.05 -0.40 0.00 -0.26 0.00 0.00 58.87 58.10 3hfa n SER 49 Cb 0.99 0.68 -0.07 0.00 -0.26 0.00 0.00 64.21 65.56 3hfa n SER 49 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hfa s LEU 50 N -1.95 4.11 -0.02 1.04 1.43 -1.26 -5.05 118.68 116.97 3hfa s LEU 50 Ca 0.00 0.68 0.03 0.00 -1.03 0.00 0.00 54.13 53.81 3hfa s LEU 50 Cb 0.00 -2.76 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 3hfa s LEU 50 CO 0.00 -0.26 -0.09 -1.10 0.23 0.00 0.00 176.35 175.14 3hfa s GLN 51 N 1.99 2.57 0.00 1.70 -0.21 -1.26 -4.76 119.66 119.69 3hfa s GLN 51 Ca 0.25 -0.68 0.06 0.00 0.02 0.00 0.00 55.36 55.00 3hfa s GLN 51 Cb -0.16 -2.49 0.05 0.00 1.00 0.00 0.00 33.01 31.41 3hfa s GLN 51 CO 0.09 0.62 0.68 0.36 -2.12 0.00 0.00 175.29 174.93 3hfa n LYS 52 N 1.86 -0.20 -4.77 2.91 2.85 -1.26 -4.98 118.16 114.58 3hfa n LYS 52 Ca -0.16 -0.84 -0.26 0.00 -1.05 0.00 0.00 58.31 55.99 3hfa n LYS 52 Cb 0.53 -1.11 -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 -0.48 1.68 -0.00 0.58 1.01 -1.26 -1.42 121.20 121.31 3hfa s ILE 53 Ca 0.07 -1.11 -0.29 0.00 0.00 0.00 0.00 60.65 59.32 3hfa s ILE 53 Cb 0.05 -1.44 0.08 0.00 0.01 0.00 0.00 42.46 41.16 3hfa s ILE 53 CO 0.07 0.29 0.70 -0.55 0.00 0.00 0.00 174.94 175.46 3hfa s SER 54 N -0.96 -0.59 0.33 3.58 0.15 0.17 -5.00 113.70 111.37 3hfa s SER 54 Ca 0.08 0.45 -0.28 0.00 0.70 0.00 0.00 55.95 56.90 3hfa s SER 54 Cb -0.09 0.52 -0.09 0.00 -1.71 0.00 0.00 66.02 64.65 3hfa s SER 54 CO 0.01 -0.68 1.15 -0.70 1.20 0.00 0.00 173.24 174.22 3hfa s GLU 55 N -1.99 4.42 -0.14 5.44 2.12 -1.26 -0.45 118.70 126.84 3hfa s GLU 55 Ca -0.06 1.87 -0.07 0.00 0.36 0.00 0.00 54.97 57.08 3hfa s GLU 55 Cb -0.00 -3.00 -0.06 0.00 0.26 0.00 0.00 34.13 31.33 3hfa s GLU 55 CO 0.02 -0.01 -0.18 1.28 -0.54 0.00 0.00 175.26 175.83 3hfa n LEU 56 N 0.76 0.99 0.00 2.70 4.77 -0.25 -4.83 117.00 121.14 3hfa n LEU 56 Ca 0.01 0.16 -0.10 0.00 -0.03 0.00 0.00 56.01 56.05 3hfa n LEU 56 Cb 0.45 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 3hfa n LEU 56 CO 0.54 0.29 0.23 0.00 -1.33 0.00 0.00 177.39 177.12 3hfa n TYR 57 N -3.60 -1.53 -0.38 -1.77 9.36 -0.88 -4.75 117.16 113.61 3hfa n TYR 57 Ca -0.27 -1.68 -0.03 0.00 3.32 0.00 0.00 57.90 59.25 3hfa n TYR 57 Cb 0.69 0.53 0.02 0.00 -0.63 0.00 0.00 39.34 39.95 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 1.52 -1.54 -0.18 2.98 3.32 -1.95 -2.05 116.42 118.53 3hfa h ASP 58 Ca -0.23 0.31 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3hfa h ASP 58 Cb 0.93 0.78 0.00 0.00 0.22 0.00 0.00 39.33 41.26 3hfa h ASP 58 CO 0.30 -0.28 0.00 0.54 -1.72 0.00 0.00 179.24 178.08 3hfa n ARG 59 N -5.44 2.75 -5.04 3.56 5.12 -1.26 -0.75 116.66 115.59 3hfa n ARG 59 Ca 0.09 -2.04 -0.31 0.00 -1.93 0.00 0.00 57.85 53.66 3hfa n ARG 59 Cb 0.38 -1.29 -0.17 0.00 -1.16 0.00 0.00 32.46 30.22 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 1.88 0.38 1.55 1.01 -0.77 -2.03 120.40 120.94 3hfa s VAL 60 Ca 0.19 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.34 3hfa s VAL 60 Cb 0.13 -1.64 -0.07 0.00 0.00 0.00 0.00 36.38 34.80 3hfa s VAL 60 CO 0.08 0.52 -0.02 -0.83 0.00 0.00 0.00 175.10 174.85 3hfa s GLY 61 N 0.45 2.35 -0.01 4.51 0.00 0.15 -1.09 107.32 113.69 3hfa s GLY 61 Ca -0.17 -2.19 0.00 0.00 0.00 0.00 0.00 44.72 42.36 3hfa s GLY 61 CO 0.07 -2.05 -0.01 -0.12 0.00 0.00 0.00 173.10 170.99 3hfa s PHE 62 N -2.65 0.14 0.00 1.90 5.36 0.40 -1.58 117.98 121.56 3hfa s PHE 62 Ca 0.34 -0.01 -0.05 0.00 -0.96 0.00 0.00 56.93 56.25 3hfa s PHE 62 Cb 0.06 -0.14 -0.00 0.00 -0.34 0.00 0.00 43.02 42.60 3hfa s PHE 62 CO 0.18 -0.03 0.10 0.00 -1.46 0.00 0.00 175.22 174.02 3hfa s ALA 63 N 0.20 -0.24 0.00 11.12 0.00 -0.48 -0.66 121.76 131.70 3hfa s ALA 63 Ca -0.02 -0.17 -0.08 0.00 0.00 0.00 0.00 51.96 51.70 3hfa s ALA 63 Cb -0.03 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.17 3hfa s ALA 63 CO -0.01 -0.18 0.16 0.00 0.00 0.00 0.00 175.76 175.73 3hfa s ALA 64 N -1.22 -0.38 0.11 0.00 0.00 -0.50 -0.17 121.76 119.58 3hfa s ALA 64 Ca -0.13 -0.08 0.09 0.00 0.00 0.00 0.00 51.96 51.84 3hfa s ALA 64 Cb -0.07 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 3hfa s ALA 64 CO 0.01 -0.22 -0.22 0.00 0.00 0.00 0.00 175.76 175.33 3hfa s ALA 65 N -1.38 1.92 0.00 0.00 0.00 -0.54 -4.86 121.76 116.90 3hfa s ALA 65 Ca -0.15 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.52 3hfa s ALA 65 Cb -0.07 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.78 3hfa s ALA 65 CO 0.02 0.39 0.00 0.41 0.00 0.00 0.00 175.76 176.58 3hfa n GLY 66 N 1.03 0.24 3.65 0.00 0.00 -1.26 -1.37 105.19 107.48 3hfa n GLY 66 Ca -0.19 -1.96 -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 -0.19 4.13 0.11 1.61 2.20 -0.76 -4.91 119.74 121.94 3hfa s LYS 67 Ca 0.00 1.43 -0.23 0.00 -0.36 0.00 0.00 55.97 56.81 3hfa s LYS 67 Cb 0.00 -3.77 -0.07 0.00 -1.51 0.00 0.00 37.83 32.48 3hfa s LYS 67 CO 0.00 -0.83 1.69 0.35 -0.36 0.00 0.00 175.35 176.20 3hfa h PHE 68 N 8.34 -0.28 -0.50 4.03 3.57 -1.95 -1.57 116.94 128.59 3hfa h PHE 68 Ca -0.24 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.36 3hfa h PHE 68 Cb 1.09 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.93 3hfa h PHE 68 CO 0.82 -0.17 0.34 -2.95 -2.23 0.00 0.00 178.31 174.12 3hfa h ASN 69 N -0.17 0.26 0.03 0.41 7.08 -1.99 0.10 115.58 121.30 3hfa h ASN 69 Ca 0.05 0.00 -0.13 0.00 -3.08 0.00 0.00 56.30 53.15 3hfa h ASN 69 Cb 0.24 -0.05 0.01 0.00 -2.08 0.00 0.00 38.32 36.45 3hfa h ASN 69 CO -0.13 0.16 -0.53 -0.33 -2.08 0.00 0.00 177.43 174.51 3hfa h GLU 70 N 0.29 0.30 0.00 4.14 5.08 -1.75 -2.52 114.58 120.11 3hfa h GLU 70 Ca 0.23 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 3hfa h GLU 70 Cb 0.54 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3hfa h GLU 70 CO -0.05 1.08 -0.28 0.27 -1.00 0.00 0.00 179.01 179.04 3hfa h PHE 71 N -0.32 0.00 -0.43 4.33 -5.15 -0.90 -2.65 116.94 111.82 3hfa h PHE 71 Ca -0.08 0.00 -0.14 0.00 -0.20 0.00 0.00 57.97 57.55 3hfa h PHE 71 Cb 1.30 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.46 3hfa h PHE 71 CO 0.17 0.28 -0.29 0.22 -2.00 0.00 0.00 178.31 176.69 3hfa h ASP 72 N 0.00 0.98 -0.41 -0.68 3.58 -0.88 0.13 116.42 119.15 3hfa h ASP 72 Ca -0.00 -0.40 0.08 0.00 0.42 0.00 0.00 57.03 57.12 3hfa h ASP 72 Cb 1.01 -0.27 -0.07 0.00 1.72 0.00 0.00 39.33 41.72 3hfa h ASP 72 CO 0.04 1.19 -0.03 0.78 -2.88 0.00 0.00 179.24 178.34 3hfa h ASN 73 N 0.80 -0.23 -0.39 2.28 2.35 -1.19 -1.06 115.58 118.14 3hfa h ASN 73 Ca 0.09 0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.85 3hfa h ASN 73 Cb 0.86 0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.41 3hfa h ASN 73 CO 0.08 -0.07 -0.08 -0.07 -1.65 0.00 0.00 177.43 175.63 3hfa h LEU 74 N 0.07 0.81 -0.04 1.61 3.38 -1.12 -0.45 115.31 119.58 3hfa h LEU 74 Ca 0.20 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.96 3hfa h LEU 74 Cb 0.29 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3hfa h LEU 74 CO -0.36 0.92 -0.16 -0.09 0.09 0.00 0.00 178.44 178.85 3hfa h ARG 75 N 0.75 -0.23 -0.64 1.13 2.43 -0.39 -0.21 114.38 117.22 3hfa h ARG 75 Ca 0.13 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.27 3hfa h ARG 75 Cb 0.57 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.14 3hfa h ARG 75 CO 0.03 -0.15 0.21 0.00 -1.51 0.00 0.00 179.97 178.56 3hfa h ARG 76 N -0.24 0.97 -0.76 0.20 3.08 -0.95 -1.47 114.38 115.22 3hfa h ARG 76 Ca 0.06 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 3hfa h ARG 76 Cb 0.32 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 3hfa h ARG 76 CO -0.18 0.82 0.32 0.78 -1.07 0.00 0.00 179.97 180.65 3hfa h GLY 77 N 1.04 1.20 0.89 0.04 0.00 -0.79 -0.99 103.07 104.46 3hfa h GLY 77 Ca 0.21 -0.64 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 3hfa h GLY 77 CO -0.01 0.60 -0.04 -1.33 0.00 0.00 0.00 176.54 175.76 3hfa h GLY 78 N 1.08 0.62 0.89 4.60 0.00 -0.59 -0.25 103.07 109.41 3hfa h GLY 78 Ca 0.25 -0.48 0.03 0.00 0.00 0.00 0.00 47.33 47.13 3hfa h GLY 78 CO -0.02 0.44 0.42 -2.22 0.00 0.00 0.00 176.54 175.16 3hfa h ILE 79 N 0.36 1.10 -0.41 2.60 2.04 -1.16 0.15 117.51 122.19 3hfa h ILE 79 Ca 0.08 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 65.69 3hfa h ILE 79 Cb 0.50 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 3hfa h ILE 79 CO 0.02 0.15 0.21 -0.61 0.00 0.00 0.00 178.15 177.92 3hfa h GLN 80 N 0.82 0.41 -0.00 2.37 5.75 -0.99 -0.63 115.11 122.84 3hfa h GLN 80 Ca 0.27 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.74 3hfa h GLN 80 Cb 0.01 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 28.46 3hfa h GLN 80 CO -0.10 0.27 0.00 0.35 -2.65 0.00 0.00 178.83 176.70 3hfa h PHE 81 N 0.42 0.00 0.10 3.99 3.57 -0.46 -2.21 116.94 122.36 3hfa h PHE 81 Ca 0.17 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 3hfa h PHE 81 Cb 0.07 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 3hfa h PHE 81 CO -0.10 0.15 -0.10 0.00 -2.23 0.00 0.00 178.31 176.04 3hfa h ALA 82 N 0.85 -0.19 -0.46 2.41 0.00 -0.56 -0.82 119.26 120.49 3hfa h ALA 82 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3hfa h ALA 82 Cb 0.15 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3hfa h ALA 82 CO -0.00 -0.62 0.11 -0.44 0.00 0.00 0.00 179.25 178.30 3hfa h ASP 83 N -0.22 0.64 -0.06 0.00 3.32 -1.12 -0.79 116.42 118.20 3hfa h ASP 83 Ca 0.00 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 3hfa h ASP 83 Cb 0.21 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 3hfa h ASP 83 CO -0.02 0.64 -0.01 0.74 -1.72 0.00 0.00 179.24 178.87 3hfa h THR 84 N 0.67 1.27 -0.18 0.35 2.02 -1.17 -1.96 112.91 113.93 3hfa h THR 84 Ca 0.15 -0.85 0.02 0.00 0.77 0.00 0.00 66.41 66.50 3hfa h THR 84 Cb 0.25 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 3hfa h THR 84 CO -0.00 0.23 0.05 0.03 0.37 0.00 0.00 175.52 176.20 3hfa h ARG 85 N -0.21 0.13 -0.97 6.66 2.47 -0.82 -0.61 114.38 121.02 3hfa h ARG 85 Ca 0.02 -0.01 0.07 0.00 -1.26 0.00 0.00 59.98 58.79 3hfa h ARG 85 Cb 0.37 -0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 28.60 3hfa h ARG 85 CO 0.00 0.09 0.63 0.78 0.56 0.00 0.00 179.97 182.03 3hfa h GLY 86 N 0.13 1.46 0.96 0.04 0.00 -1.17 -0.43 103.07 104.06 3hfa h GLY 86 Ca 0.08 -0.45 -0.12 0.00 0.00 0.00 0.00 47.33 46.84 3hfa h GLY 86 CO -0.09 0.33 -0.27 -1.82 0.00 0.00 0.00 176.54 174.68 3hfa h TYR 87 N 1.13 0.82 -0.65 5.60 3.20 -0.98 -2.92 116.97 123.16 3hfa h TYR 87 Ca 0.42 -0.24 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 3hfa h TYR 87 Cb 0.18 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 3hfa h TYR 87 CO -0.00 0.98 0.12 0.00 -1.64 0.00 0.00 178.16 177.62 3hfa h ALA 88 N 0.70 0.87 -3.00 1.82 0.00 -0.57 -3.43 119.26 115.64 3hfa h ALA 88 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3hfa h ALA 88 Cb 0.84 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3hfa h ALA 88 CO 0.07 0.62 0.00 0.66 0.00 0.00 0.00 179.25 180.60 3hfa n TYR 89 N -4.25 0.00 -3.70 0.00 4.01 -0.22 -5.10 117.16 107.90 3hfa n TYR 89 Ca 0.04 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.66 3hfa n TYR 89 Cb 0.28 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.25 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 0.34 -0.20 0.23 7.72 2.15 -1.11 -4.98 116.67 120.83 3hfa s ASP 90 Ca 0.00 -0.14 -0.07 0.00 0.43 0.00 0.00 52.55 52.77 3hfa s ASP 90 Cb 0.00 0.41 0.35 0.00 -0.30 0.00 0.00 42.92 43.38 3hfa s ASP 90 CO 0.00 -0.68 1.77 0.03 -0.17 0.00 0.00 175.17 176.12 3hfa h ARG 91 N 2.96 0.57 0.00 4.34 3.08 -1.89 -1.17 114.38 122.27 3hfa h ARG 91 Ca -0.32 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.70 3hfa h ARG 91 Cb 1.21 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.13 3hfa h ARG 91 CO 0.45 0.38 0.00 0.54 -1.07 0.00 0.00 179.97 180.27 3hfa n ARG 92 N -4.88 0.01 0.01 0.04 5.12 -1.26 -1.53 116.66 114.17 3hfa n ARG 92 Ca 0.11 0.37 0.12 0.00 -1.93 0.00 0.00 57.85 56.52 3hfa n ARG 92 Cb 0.29 -1.50 0.22 0.00 -1.16 0.00 0.00 32.46 30.30 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 -1.48 0.54 -4.69 0.55 8.00 -0.44 -4.82 116.55 114.22 3hfa n ASP 93 Ca 0.02 -0.25 -0.41 0.00 0.71 0.00 0.00 54.79 54.86 3hfa n ASP 93 Cb 0.08 0.30 -0.04 0.00 -0.02 0.00 0.00 41.12 41.44 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 4.93 0.12 2.53 1.01 -0.58 -5.02 120.40 120.36 3hfa s VAL 94 Ca 0.10 1.60 0.03 0.00 0.00 0.00 0.00 61.98 63.71 3hfa s VAL 94 Cb 0.17 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3hfa s VAL 94 CO 0.71 0.10 -0.09 0.42 0.00 0.00 0.00 175.10 176.25 3hfa s THR 95 N 1.68 0.92 0.24 3.92 -4.23 -1.26 -4.98 115.64 111.93 3hfa s THR 95 Ca 0.39 -1.91 -0.05 0.00 -1.18 0.00 0.00 61.69 58.94 3hfa s THR 95 Cb -0.17 -1.66 0.18 0.00 1.34 0.00 0.00 72.50 72.19 3hfa s THR 95 CO 0.15 -0.75 1.83 1.23 -0.54 0.00 0.00 174.62 176.54 3hfa h GLY 96 N 3.05 1.20 1.02 3.99 0.00 -1.94 -1.59 103.07 108.79 3hfa h GLY 96 Ca -0.36 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 46.33 3hfa h GLY 96 CO 0.61 0.58 0.35 -0.09 0.00 0.00 0.00 176.54 177.99 3hfa h ARG 97 N 1.10 1.06 -0.42 4.80 2.43 -1.97 0.18 114.38 121.56 3hfa h ARG 97 Ca 0.26 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 3hfa h ARG 97 Cb 0.15 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3hfa h ARG 97 CO -0.03 0.83 0.14 0.37 -1.51 0.00 0.00 179.97 179.78 3hfa h GLN 98 N 1.03 0.64 -0.55 0.20 4.15 -1.88 0.96 115.11 119.65 3hfa h GLN 98 Ca 0.25 -0.13 -0.12 0.00 0.77 0.00 0.00 58.65 59.43 3hfa h GLN 98 Cb 0.12 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 3hfa h GLN 98 CO -0.03 0.62 -0.11 -0.07 -1.93 0.00 0.00 178.83 177.31 3hfa h LEU 99 N 0.53 1.05 -0.80 -2.39 3.38 -0.98 -1.09 115.31 115.01 3hfa h LEU 99 Ca 0.14 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 3hfa h LEU 99 Cb 0.23 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3hfa h LEU 99 CO -0.01 1.16 0.27 0.00 0.09 0.00 0.00 178.44 179.95 3hfa h ALA 100 N 0.93 1.03 -0.61 1.53 0.00 -0.48 -1.18 119.26 120.49 3hfa h ALA 100 Ca 0.14 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3hfa h ALA 100 Cb 0.68 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3hfa h ALA 100 CO 0.05 0.67 0.28 -0.97 0.00 0.00 0.00 179.25 179.27 3hfa h ASN 101 N 1.13 0.81 -0.61 0.00 -0.73 -0.48 -1.74 115.58 113.96 3hfa h ASN 101 Ca 0.25 -0.15 -0.07 0.00 1.87 0.00 0.00 56.30 58.21 3hfa h ASN 101 Cb 0.26 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.62 3hfa h ASN 101 CO -0.01 0.73 0.11 1.62 -0.37 0.00 0.00 177.43 179.51 3hfa h VAL 102 N 0.84 1.26 -0.74 2.57 3.04 -0.76 -2.49 116.25 119.96 3hfa h VAL 102 Ca 0.21 -0.98 -0.06 0.00 -1.01 0.00 0.00 66.70 64.85 3hfa h VAL 102 Cb 0.15 0.72 -0.03 0.00 -2.01 0.00 0.00 31.29 30.12 3hfa h VAL 102 CO -0.02 0.36 0.21 1.88 -1.01 0.00 0.00 177.57 178.99 3hfa h TYR 103 N 0.91 1.21 -0.61 3.17 0.05 -1.01 -0.32 116.97 120.37 3hfa h TYR 103 Ca 0.19 -0.13 -0.03 0.00 0.05 0.00 0.00 58.73 58.81 3hfa h TYR 103 Cb 0.41 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 37.78 3hfa h TYR 103 CO 0.03 0.96 0.28 0.00 -1.05 0.00 0.00 178.16 178.37 3hfa h ALA 104 N 1.11 0.79 -0.45 3.88 0.00 -1.19 0.18 119.26 123.58 3hfa h ALA 104 Ca 0.24 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3hfa h ALA 104 Cb 0.33 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3hfa h ALA 104 CO -0.00 0.37 0.09 0.37 0.00 0.00 0.00 179.25 180.07 3hfa h GLN 105 N 0.84 0.73 -0.33 0.00 4.15 -1.15 -0.24 115.11 119.11 3hfa h GLN 105 Ca 0.21 -0.19 -0.04 0.00 0.77 0.00 0.00 58.65 59.40 3hfa h GLN 105 Cb 0.15 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 3hfa h GLN 105 CO -0.02 0.74 0.05 1.15 -1.93 0.00 0.00 178.83 178.82 3hfa h THR 106 N 0.60 1.24 -0.60 2.39 2.02 -0.71 -1.64 112.91 116.20 3hfa h THR 106 Ca 0.14 -0.83 -0.08 0.00 0.77 0.00 0.00 66.41 66.40 3hfa h THR 106 Cb 0.36 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 3hfa h THR 106 CO 0.01 0.27 0.04 -0.07 0.37 0.00 0.00 175.52 176.14 3hfa h LEU 107 N 0.37 0.98 -0.30 2.58 3.38 -0.62 0.02 115.31 121.72 3hfa h LEU 107 Ca 0.10 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3hfa h LEU 107 Cb 0.36 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3hfa h LEU 107 CO 0.01 1.01 0.19 1.23 0.09 0.00 0.00 178.44 180.97 3hfa h GLY 108 N 1.01 0.43 0.91 0.83 0.00 -0.90 0.22 103.07 105.58 3hfa h GLY 108 Ca 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 3hfa h GLY 108 CO 0.02 0.16 0.10 -0.84 0.00 0.00 0.00 176.54 175.98 3hfa h THR 109 N 0.40 1.16 -0.75 4.70 2.02 -1.04 -2.70 112.91 116.71 3hfa h THR 109 Ca 0.11 -0.49 0.04 0.00 0.77 0.00 0.00 66.41 66.84 3hfa h THR 109 Cb -0.03 1.04 -0.05 0.00 -1.74 0.00 0.00 68.15 67.38 3hfa h THR 109 CO -0.02 0.16 0.46 0.40 0.37 0.00 0.00 175.52 176.89 3hfa h ILE 110 N 0.24 1.08 -0.49 3.11 2.04 -0.73 -1.07 117.51 121.69 3hfa h ILE 110 Ca 0.08 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 3hfa h ILE 110 Cb 0.16 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 3hfa h ILE 110 CO -0.01 0.16 0.20 0.15 0.00 0.00 0.00 178.15 178.66 3hfa h PHE 111 N 0.89 0.69 0.00 1.37 3.57 -0.33 -1.80 116.94 121.33 3hfa h PHE 111 Ca 0.31 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.75 3hfa h PHE 111 Cb 0.06 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 3hfa h PHE 111 CO -0.04 0.53 -1.82 0.25 -2.23 0.00 0.00 178.31 175.00 3hfa n THR 112 N -4.36 0.24 -0.00 4.41 -2.24 -1.04 -4.68 114.28 106.61 3hfa n THR 112 Ca 0.04 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3hfa n THR 112 Cb 0.15 -0.11 -0.00 0.00 -2.10 0.00 0.00 70.33 68.26 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 -2.39 1.89 -1.19 -0.78 1.02 -0.43 -5.03 120.64 113.73 3hfa n GLU 113 Ca -0.05 -0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.78 3hfa n GLU 113 Cb 0.61 -1.00 0.11 0.00 -0.02 0.00 0.00 31.44 31.14 3hfa n GLU 113 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3hfa s GLN 114 N -2.00 1.91 0.17 3.49 2.00 -0.68 -4.94 119.66 119.61 3hfa s GLN 114 Ca -0.00 1.13 -0.12 0.00 -2.00 0.00 0.00 55.36 54.36 3hfa s GLN 114 Cb 0.00 -1.86 0.08 0.00 0.80 0.00 0.00 33.01 32.03 3hfa s GLN 114 CO 0.00 -1.88 1.76 0.00 -0.50 0.00 0.00 175.29 174.67 3hfa h ALA 115 N -1.30 0.77 -3.77 1.58 0.00 -1.96 -3.42 119.26 111.16 3hfa h ALA 115 Ca -0.45 -0.13 -0.44 0.00 0.00 0.00 0.00 54.91 53.89 3hfa h ALA 115 Cb 1.25 -0.24 -0.25 0.00 0.00 0.00 0.00 17.79 18.55 3hfa h ALA 115 CO 0.51 0.33 -0.79 0.21 0.00 0.00 0.00 179.25 179.51 3hfa s LYS 116 N -5.70 0.92 0.79 0.00 2.20 -1.26 -5.15 119.74 111.54 3hfa s LYS 116 Ca -0.13 -0.72 -0.11 0.00 -0.36 0.00 0.00 55.97 54.65 3hfa s LYS 116 Cb 0.13 -0.91 0.07 0.00 -1.51 0.00 0.00 37.83 35.61 3hfa s LYS 116 CO 0.78 0.23 1.09 -1.25 -0.36 0.00 0.00 175.35 175.84 3hfa s PRO 117 N -1.06 2.11 -0.25 4.03 0.04 -1.26 -4.92 135.00 133.69 3hfa s PRO 117 Ca 0.01 0.93 -0.25 0.00 0.04 0.00 0.00 61.00 61.73 3hfa s PRO 117 Cb -0.08 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 32.56 3hfa s PRO 117 CO 0.01 -1.68 0.86 0.71 0.04 0.00 0.00 177.00 176.94 3hfa s TYR 118 N -2.99 3.30 -1.47 0.56 1.51 -1.26 -4.93 117.35 112.08 3hfa s TYR 118 Ca 0.61 1.16 -0.13 0.00 -1.01 0.00 0.00 57.07 57.70 3hfa s TYR 118 Cb -0.16 -3.10 0.03 0.00 -0.11 0.00 0.00 41.96 38.62 3hfa s TYR 118 CO 0.56 -0.43 2.33 0.39 -1.11 0.00 0.00 175.55 177.29 3hfa n GLU 119 N 6.07 3.14 -4.01 -0.62 1.02 -1.26 -4.73 120.64 120.25 3hfa n GLU 119 Ca 0.06 -2.66 -0.08 0.00 -0.02 0.00 0.00 57.16 54.46 3hfa n GLU 119 Cb 0.47 -3.14 -0.10 0.00 -0.02 0.00 0.00 31.44 28.65 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 2.58 0.15 -0.04 2.62 -7.23 -1.26 -1.83 120.40 115.40 3hfa s VAL 120 Ca 0.50 -1.26 0.01 0.00 -1.81 0.00 0.00 61.98 59.43 3hfa s VAL 120 Cb 0.14 -0.82 0.02 0.00 0.56 0.00 0.00 36.38 36.28 3hfa s VAL 120 CO -0.07 -0.69 -0.05 -0.70 -0.31 0.00 0.00 175.10 173.27 3hfa s GLU 121 N -2.54 0.82 0.04 4.82 2.12 -0.47 -3.36 118.70 120.13 3hfa s GLU 121 Ca -0.06 -0.14 0.07 0.00 0.36 0.00 0.00 54.97 55.20 3hfa s GLU 121 Cb -0.02 -0.81 -0.03 0.00 0.26 0.00 0.00 34.13 33.53 3hfa s GLU 121 CO -0.05 -0.03 -0.20 -0.51 -0.54 0.00 0.00 175.26 173.93 3hfa s LEU 122 N 0.71 2.50 -0.10 2.70 1.43 0.12 -1.46 118.68 124.57 3hfa s LEU 122 Ca -0.10 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.58 3hfa s LEU 122 Cb -0.13 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 44.63 3hfa s LEU 122 CO 0.00 0.26 -0.22 0.00 0.23 0.00 0.00 176.35 176.62 3hfa s VAL 124 N 0.46 3.01 0.09 0.00 1.01 -0.30 -1.38 120.40 123.30 3hfa s VAL 124 Ca -0.16 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.21 3hfa s VAL 124 Cb -0.17 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3hfa s VAL 124 CO 0.07 0.52 -0.18 0.00 0.00 0.00 0.00 175.10 175.51 3hfa s ALA 125 N 0.44 1.52 -0.00 5.51 0.00 -0.61 -0.43 121.76 128.19 3hfa s ALA 125 Ca -0.10 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.72 3hfa s ALA 125 Cb -0.16 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.79 3hfa s ALA 125 CO 0.05 0.26 -0.00 -2.00 0.00 0.00 0.00 175.76 174.07 3hfa s GLU 126 N -1.88 0.05 0.41 0.00 2.12 -0.34 -0.67 118.70 118.39 3hfa s GLU 126 Ca 0.03 0.01 0.07 0.00 0.36 0.00 0.00 54.97 55.44 3hfa s GLU 126 Cb -0.10 -0.09 -0.06 0.00 0.26 0.00 0.00 34.13 34.14 3hfa s GLU 126 CO 0.03 -0.02 0.14 0.14 -0.54 0.00 0.00 175.26 175.02 3hfa s VAL 127 N 0.17 2.30 0.75 3.70 -7.23 -0.86 -1.05 120.40 118.18 3hfa s VAL 127 Ca -0.01 -1.76 -0.14 0.00 -1.81 0.00 0.00 61.98 58.26 3hfa s VAL 127 Cb -0.02 -2.99 0.05 0.00 0.56 0.00 0.00 36.38 33.98 3hfa s VAL 127 CO -0.00 -0.02 1.17 0.00 -0.31 0.00 0.00 175.10 175.94 3hfa s ALA 128 N -2.61 2.11 0.64 1.32 0.00 -1.26 -4.87 121.76 117.08 3hfa s ALA 128 Ca 0.40 0.72 -0.14 0.00 0.00 0.00 0.00 51.96 52.93 3hfa s ALA 128 Cb 0.04 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 3hfa s ALA 128 CO 0.22 -1.88 1.07 -1.01 0.00 0.00 0.00 175.76 174.16 3hfa s HIS 129 N -2.23 2.94 0.02 0.00 3.76 -1.26 -4.81 115.29 113.71 3hfa s HIS 129 Ca 0.71 1.50 -0.36 0.00 -0.15 0.00 0.00 55.06 56.75 3hfa s HIS 129 Cb -0.25 -3.01 -0.15 0.00 1.11 0.00 0.00 32.58 30.28 3hfa s HIS 129 CO 0.47 -1.26 1.52 0.98 -0.85 0.00 0.00 174.74 175.60 3hfa n TYR 130 N -2.41 1.87 -1.00 1.40 9.36 -1.26 -0.97 117.16 124.15 3hfa n TYR 130 Ca 0.09 0.47 -0.00 0.00 3.32 0.00 0.00 57.90 61.77 3hfa n TYR 130 Cb 0.53 -2.44 -0.00 0.00 -0.63 0.00 0.00 39.34 36.80 3hfa n TYR 130 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3hfa n GLY 131 N 3.21 0.46 3.77 2.98 0.00 -1.26 -5.03 105.19 109.32 3hfa n GLY 131 Ca 0.20 -0.06 -0.23 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 -0.31 2.74 -0.23 1.61 2.02 -0.14 -5.11 118.70 119.28 3hfa s GLU 132 Ca 0.00 -1.11 -0.05 0.00 0.02 0.00 0.00 54.97 53.83 3hfa s GLU 132 Cb 0.00 -2.47 -0.02 0.00 0.10 0.00 0.00 34.13 31.75 3hfa s GLU 132 CO 0.00 0.41 -0.00 0.95 0.02 0.00 0.00 175.26 176.64 3hfa s THR 133 N -2.09 3.72 -0.30 3.63 -4.23 -1.26 -4.75 115.64 110.37 3hfa s THR 133 Ca 0.32 -0.37 -0.14 0.00 -1.18 0.00 0.00 61.69 60.32 3hfa s THR 133 Cb -0.08 -2.71 0.14 0.00 1.34 0.00 0.00 72.50 71.18 3hfa s THR 133 CO 0.23 0.39 0.82 -0.75 -0.54 0.00 0.00 174.62 174.77 3hfa s LYS 134 N 1.51 0.48 0.25 3.99 2.20 -1.26 -5.07 119.74 121.83 3hfa s LYS 134 Ca 0.06 1.06 -0.31 0.00 -0.36 0.00 0.00 55.97 56.42 3hfa s LYS 134 Cb -0.15 0.49 -0.14 0.00 -1.51 0.00 0.00 37.83 36.53 3hfa s LYS 134 CO -0.01 -0.14 1.27 0.54 -0.36 0.00 0.00 175.35 176.66 3hfa n ARG 135 N 4.84 1.75 -1.42 4.03 1.74 -1.26 -4.21 116.66 122.12 3hfa n ARG 135 Ca -0.13 0.62 -0.36 0.00 -0.77 0.00 0.00 57.85 57.21 3hfa n ARG 135 Cb 0.53 -2.19 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 1.56 0.61 -5.22 5.56 -0.02 -1.26 -4.81 135.00 131.43 3hfa n PRO 136 Ca 0.11 0.26 -0.32 0.00 -2.02 0.00 0.00 63.50 61.54 3hfa n PRO 136 Cb 0.31 -2.28 -0.16 0.00 -0.02 0.00 0.00 33.50 31.34 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 -3.35 2.72 -0.12 -0.52 2.02 -0.21 -4.98 118.70 114.25 3hfa s GLU 137 Ca 0.75 -0.88 0.03 0.00 0.02 0.00 0.00 54.97 54.89 3hfa s GLU 137 Cb -0.35 -2.23 0.01 0.00 0.10 0.00 0.00 34.13 31.66 3hfa s GLU 137 CO 0.48 0.33 -0.21 -0.51 0.02 0.00 0.00 175.26 175.37 3hfa s LEU 138 N -0.03 2.03 -0.03 1.80 1.43 -1.22 -1.19 118.68 121.46 3hfa s LEU 138 Ca -0.07 -0.55 0.06 0.00 -1.03 0.00 0.00 54.13 52.53 3hfa s LEU 138 Cb -0.15 -1.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.69 3hfa s LEU 138 CO 0.05 0.09 -0.20 -0.31 0.23 0.00 0.00 176.35 176.21 3hfa s TYR 139 N 0.69 2.52 -0.16 0.29 2.02 0.43 -0.38 117.35 122.75 3hfa s TYR 139 Ca -0.11 -0.30 0.00 0.00 -0.37 0.00 0.00 57.07 56.30 3hfa s TYR 139 Cb -0.16 -1.56 0.00 0.00 -0.40 0.00 0.00 41.96 39.84 3hfa s TYR 139 CO 0.02 0.08 -0.16 0.50 -1.57 0.00 0.00 175.55 174.42 3hfa s ARG 140 N -0.71 3.17 -0.15 -0.62 3.00 0.60 -1.14 118.95 123.10 3hfa s ARG 140 Ca 0.11 -0.77 0.00 0.00 -1.00 0.00 0.00 55.73 54.07 3hfa s ARG 140 Cb -0.10 -2.61 -0.00 0.00 0.00 0.00 0.00 34.95 32.24 3hfa s ARG 140 CO -0.00 -0.02 -0.15 0.42 0.00 0.00 0.00 175.30 175.55 3hfa s ILE 141 N 0.89 2.72 0.57 4.11 1.09 0.24 -1.57 121.20 129.26 3hfa s ILE 141 Ca -0.04 -0.75 0.08 0.00 -1.10 0.00 0.00 60.65 58.84 3hfa s ILE 141 Cb -0.15 -2.15 0.08 0.00 -1.06 0.00 0.00 42.46 39.18 3hfa s ILE 141 CO -0.02 0.51 0.79 0.42 -0.10 0.00 0.00 174.94 176.55 3hfa s THR 142 N 0.78 2.25 0.59 2.92 -4.23 -0.57 -0.71 115.64 116.68 3hfa s THR 142 Ca -0.06 -0.95 0.38 0.00 -1.18 0.00 0.00 61.69 59.88 3hfa s THR 142 Cb -0.15 -2.30 0.40 0.00 1.34 0.00 0.00 72.50 71.79 3hfa s THR 142 CO 0.01 0.00 2.30 0.10 -0.54 0.00 0.00 174.62 176.48 3hfa h TYR 143 N 0.15 0.00 -0.29 3.99 -0.00 -1.84 -1.31 116.97 117.67 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 0.01 0.00 -0.40 -0.00 0.00 0.00 178.16 178.13 3hfa n ASP 144 N -3.38 3.32 0.00 0.10 5.75 -1.26 -4.52 116.55 116.57 3hfa n ASP 144 Ca -0.03 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 3hfa n ASP 144 Cb 0.10 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 3hfa n ASP 144 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hfa n GLY 145 N 1.47 0.50 3.76 6.12 0.00 -0.49 -4.08 105.19 112.47 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 -2.71 5.86 0.01 1.61 0.01 -1.26 -4.64 113.70 112.59 3hfa s SER 146 Ca 0.00 2.73 0.02 0.00 1.31 0.00 0.00 55.95 60.01 3hfa s SER 146 Cb 0.00 -2.64 -0.01 0.00 0.21 0.00 0.00 66.02 63.58 3hfa s SER 146 CO 0.00 -1.16 -0.06 -0.51 0.41 0.00 0.00 173.24 171.92 3hfa s ILE 147 N -1.28 0.42 -0.11 1.44 2.07 -1.26 -1.51 121.20 120.97 3hfa s ILE 147 Ca 0.63 -0.55 -0.09 0.00 -1.41 0.00 0.00 60.65 59.23 3hfa s ILE 147 Cb -0.40 -0.42 0.03 0.00 0.13 0.00 0.00 42.46 41.81 3hfa s ILE 147 CO 0.49 -0.09 0.29 0.00 -1.91 0.00 0.00 174.94 173.72 3hfa s ALA 148 N -0.62 -0.71 -0.09 1.50 0.00 -0.61 -4.99 121.76 116.24 3hfa s ALA 148 Ca -0.03 0.92 -0.12 0.00 0.00 0.00 0.00 51.96 52.73 3hfa s ALA 148 Cb -0.05 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.47 3hfa s ALA 148 CO -0.00 -0.16 0.28 0.16 0.00 0.00 0.00 175.76 176.04 3hfa s ASP 149 N 0.50 6.55 0.02 0.00 1.47 -1.26 -0.29 116.67 123.66 3hfa s ASP 149 Ca -0.03 0.65 0.05 0.00 1.18 0.00 0.00 52.55 54.41 3hfa s ASP 149 Cb -0.04 -2.17 -0.03 0.00 -0.34 0.00 0.00 42.92 40.34 3hfa s ASP 149 CO -0.03 0.28 -0.13 -1.61 0.68 0.00 0.00 175.17 174.37 3hfa s GLU 150 N -0.57 2.30 0.04 2.11 0.41 0.48 -4.99 118.70 118.49 3hfa s GLU 150 Ca 0.18 -0.86 -0.15 0.00 -0.41 0.00 0.00 54.97 53.73 3hfa s GLU 150 Cb -0.14 -2.33 -0.33 0.00 -1.78 0.00 0.00 34.13 29.55 3hfa s GLU 150 CO 0.07 0.57 1.04 -1.35 -0.49 0.00 0.00 175.26 175.11 3hfa h PRO 151 N 4.54 0.57 0.00 0.39 0.11 -1.94 -3.24 132.00 132.43 3hfa h PRO 151 Ca -0.48 -0.89 0.00 0.00 0.11 0.00 0.00 66.00 64.75 3hfa h PRO 151 Cb 1.16 0.32 0.00 0.00 0.11 0.00 0.00 31.00 32.59 3hfa h PRO 151 CO 0.51 1.42 -0.95 0.72 -0.21 0.00 0.00 178.00 179.48 3hfa n HIS 152 N -3.74 0.00 -3.52 0.65 8.25 -1.26 -4.83 115.22 110.77 3hfa n HIS 152 Ca -0.15 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.19 3hfa n HIS 152 Cb 1.06 0.01 -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 -1.96 -0.41 -0.02 4.41 -0.12 -1.26 -0.98 117.98 117.63 3hfa s PHE 153 Ca 0.00 0.15 0.02 0.00 -0.05 0.00 0.00 56.93 57.05 3hfa s PHE 153 Cb 0.00 0.49 0.00 0.00 -0.63 0.00 0.00 43.02 42.88 3hfa s PHE 153 CO 0.00 -0.85 -0.07 0.08 -0.05 0.00 0.00 175.22 174.33 3hfa s VAL 154 N -3.78 0.66 -0.07 -2.49 1.01 -0.02 -4.88 120.40 110.83 3hfa s VAL 154 Ca 0.03 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.76 3hfa s VAL 154 Cb -0.01 -0.59 -0.00 0.00 0.00 0.00 0.00 36.38 35.78 3hfa s VAL 154 CO -0.11 0.21 -0.21 -0.69 0.00 0.00 0.00 175.10 174.31 3hfa s VAL 155 N 0.22 1.76 0.01 2.92 1.01 -1.26 -1.04 120.40 124.02 3hfa s VAL 155 Ca -0.03 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.07 3hfa s VAL 155 Cb -0.08 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 3hfa s VAL 155 CO 0.00 0.50 -0.02 -0.04 0.00 0.00 0.00 175.10 175.54 3hfa s MET 156 N 0.15 0.21 0.00 2.72 -1.94 0.02 -5.00 119.30 115.46 3hfa s MET 156 Ca -0.10 -0.36 0.00 0.00 -1.71 0.00 0.00 55.69 53.52 3hfa s MET 156 Cb -0.15 0.02 0.00 0.00 2.01 0.00 0.00 34.83 36.72 3hfa s MET 156 CO 0.05 -0.02 0.00 0.41 -0.01 0.00 0.00 175.02 175.45 3hfa n GLY 157 N 2.23 -1.52 7.00 -0.03 0.00 -1.26 -0.60 105.19 111.02 3hfa n GLY 157 Ca -0.19 -1.42 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 -0.64 0.97 3.49 -0.02 0.00 -0.26 -4.18 105.19 104.56 3hfa n GLY 158 Ca 0.00 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 3hfa n GLY 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hfa s THR 159 N 0.00 4.28 -0.14 2.61 -4.23 -1.26 -4.54 115.64 112.36 3hfa s THR 159 Ca 0.00 0.01 0.15 0.00 -1.18 0.00 0.00 61.69 60.68 3hfa s THR 159 Cb 0.00 -4.65 0.00 0.00 1.34 0.00 0.00 72.50 69.20 3hfa s THR 159 CO 0.00 -1.35 1.27 0.71 -0.54 0.00 0.00 174.62 174.71 3hfa h THR 160 N 6.00 0.77 0.07 3.99 1.35 -1.96 -3.39 112.91 119.74 3hfa h THR 160 Ca -0.28 -2.16 0.03 0.00 -0.55 0.00 0.00 66.41 63.45 3hfa h THR 160 Cb 1.07 2.31 -0.05 0.00 -1.73 0.00 0.00 68.15 69.75 3hfa h THR 160 CO 1.15 0.44 -0.37 -0.08 -0.25 0.00 0.00 175.52 176.41 3hfa h GLU 161 N 0.00 -0.54 -0.93 4.72 4.57 -1.95 0.25 114.58 120.70 3hfa h GLU 161 Ca -0.05 0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 3hfa h GLU 161 Cb 1.44 0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 30.10 3hfa h GLU 161 CO 0.06 -0.36 0.61 -1.35 -1.18 0.00 0.00 179.01 176.78 3hfa h PRO 162 N -0.56 1.16 -0.21 0.92 0.11 -1.84 -0.19 132.00 131.39 3hfa h PRO 162 Ca 0.04 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 3hfa h PRO 162 Cb 0.62 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 3hfa h PRO 162 CO -0.25 0.77 0.05 0.82 -0.21 0.00 0.00 178.00 179.18 3hfa h ILE 163 N 1.20 1.21 -0.75 4.15 2.04 -1.53 -0.59 117.51 123.23 3hfa h ILE 163 Ca 0.36 -0.68 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 3hfa h ILE 163 Cb -0.05 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 3hfa h ILE 163 CO -0.11 0.21 0.27 0.00 0.00 0.00 0.00 178.15 178.53 3hfa h ALA 164 N 0.86 1.06 -0.14 1.87 0.00 -0.24 -1.23 119.26 121.44 3hfa h ALA 164 Ca 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3hfa h ALA 164 Cb 0.28 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3hfa h ALA 164 CO 0.00 0.65 0.05 -0.91 0.00 0.00 0.00 179.25 179.04 3hfa h ASN 165 N 1.10 0.19 -0.76 0.00 2.35 -0.90 0.19 115.58 117.75 3hfa h ASN 165 Ca 0.25 -0.18 0.09 0.00 -0.55 0.00 0.00 56.30 55.91 3hfa h ASN 165 Cb 0.25 -0.05 -0.07 0.00 0.05 0.00 0.00 38.32 38.50 3hfa h ASN 165 CO -0.02 0.32 0.40 0.00 -1.65 0.00 0.00 177.43 176.48 3hfa h ALA 166 N 0.88 1.06 0.02 -0.83 0.00 -0.89 -0.87 119.26 118.63 3hfa h ALA 166 Ca 0.04 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hfa h ALA 166 Cb 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3hfa h ALA 166 CO -0.00 0.01 -0.01 -0.07 0.00 0.00 0.00 179.25 179.18 3hfa h LEU 167 N 0.68 -0.02 -1.96 0.00 -0.00 -1.00 -0.96 115.31 112.04 3hfa h LEU 167 Ca 0.37 -0.23 0.09 0.00 -0.00 0.00 0.00 57.88 58.11 3hfa h LEU 167 Cb 0.37 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.02 3hfa h LEU 167 CO -0.26 0.22 0.42 0.50 -0.00 0.00 0.00 178.44 179.32 3hfa h LYS 168 N -0.27 0.00 0.00 1.13 3.64 0.06 0.52 116.57 121.64 3hfa h LYS 168 Ca -0.00 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.18 3hfa h LYS 168 Cb 0.26 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 3hfa h LYS 168 CO 0.00 0.00 -1.08 1.49 -2.27 0.00 0.00 179.45 177.60 3hfa h GLU 169 N 0.00 0.00 -0.01 1.90 4.57 -0.87 -3.41 114.58 116.76 3hfa h GLU 169 Ca 0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 3hfa h GLU 169 Cb 0.99 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 3hfa h GLU 169 CO -0.00 0.94 -0.74 -1.13 -1.18 0.00 0.00 179.01 176.90 3hfa n SER 170 N -4.46 1.24 -4.69 1.04 3.41 -0.39 -4.95 113.62 104.82 3hfa n SER 170 Ca -0.28 -1.05 -0.42 0.00 -0.26 0.00 0.00 58.87 56.85 3hfa n SER 170 Cb 0.63 0.70 -0.03 0.00 -0.26 0.00 0.00 64.21 65.25 3hfa n SER 170 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3hfa s TYR 171 N -2.81 2.67 -0.09 7.33 5.04 0.17 -5.00 117.35 124.66 3hfa s TYR 171 Ca 0.13 0.63 0.03 0.00 -2.44 0.00 0.00 57.07 55.42 3hfa s TYR 171 Cb 0.17 -3.77 -0.01 0.00 0.35 0.00 0.00 41.96 38.70 3hfa s TYR 171 CO 0.74 -2.94 -0.19 0.00 -1.34 0.00 0.00 175.55 171.81 3hfa s ALA 172 N 2.59 2.38 0.35 3.97 0.00 -1.26 -5.00 121.76 124.78 3hfa s ALA 172 Ca 0.67 -0.96 -0.29 0.00 0.00 0.00 0.00 51.96 51.39 3hfa s ALA 172 Cb -0.34 -0.93 -0.11 0.00 0.00 0.00 0.00 23.12 21.74 3hfa s ALA 172 CO 0.28 0.34 1.41 -2.00 0.00 0.00 0.00 175.76 175.79 3hfa s GLU 173 N 0.10 4.23 -1.36 0.00 2.12 -1.26 -3.32 118.70 119.21 3hfa s GLU 173 Ca -0.09 2.40 -0.01 0.00 0.36 0.00 0.00 54.97 57.63 3hfa s GLU 173 Cb -0.15 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.21 3hfa s GLU 173 CO 0.06 -0.38 0.14 0.09 -0.54 0.00 0.00 175.26 174.62 3hfa n ASN 174 N 0.80 -4.98 -4.75 -1.70 3.02 -1.26 -4.94 115.26 101.45 3hfa n ASN 174 Ca 0.01 -0.08 -0.32 0.00 -0.03 0.00 0.00 54.58 54.17 3hfa n ASN 174 Cb 0.40 -4.02 0.10 0.00 -0.61 0.00 0.00 39.78 35.65 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 -2.89 2.14 0.85 5.41 0.00 -1.21 -4.15 121.76 121.91 3hfa s ALA 175 Ca 0.07 0.44 -0.11 0.00 0.00 0.00 0.00 51.96 52.35 3hfa s ALA 175 Cb -0.03 -3.33 0.10 0.00 0.00 0.00 0.00 23.12 19.86 3hfa s ALA 175 CO 0.09 -1.87 1.09 -1.54 0.00 0.00 0.00 175.76 173.53 3hfa s SER 176 N -2.98 3.91 0.16 0.00 1.04 -1.26 -1.70 113.70 112.87 3hfa s SER 176 Ca 0.64 1.50 -0.17 0.00 0.48 0.00 0.00 55.95 58.41 3hfa s SER 176 Cb -0.20 -2.20 0.09 0.00 0.10 0.00 0.00 66.02 63.81 3hfa s SER 176 CO 0.53 -2.36 1.69 0.25 0.98 0.00 0.00 173.24 174.32 3hfa h LEU 177 N -1.36 -0.20 -0.42 2.42 5.85 -1.98 0.13 115.31 119.75 3hfa h LEU 177 Ca -0.48 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 3hfa h LEU 177 Cb 1.27 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.45 3hfa h LEU 177 CO 0.55 -0.06 0.23 0.74 -0.34 0.00 0.00 178.44 179.56 3hfa h THR 178 N 0.07 1.15 -0.43 1.05 2.02 -1.92 0.60 112.91 115.45 3hfa h THR 178 Ca 0.18 -0.38 -0.05 0.00 0.77 0.00 0.00 66.41 66.94 3hfa h THR 178 Cb 0.26 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 3hfa h THR 178 CO -0.33 0.16 0.08 0.44 0.37 0.00 0.00 175.52 176.23 3hfa h ASP 179 N 0.54 0.68 -0.27 4.18 3.32 -1.84 -1.80 116.42 121.22 3hfa h ASP 179 Ca 0.15 -0.26 0.02 0.00 0.02 0.00 0.00 57.03 56.96 3hfa h ASP 179 Cb 0.04 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3hfa h ASP 179 CO -0.02 0.76 0.14 0.00 -1.72 0.00 0.00 179.24 178.40 3hfa h ALA 180 N 0.94 0.33 -0.45 3.45 0.00 -0.50 -0.55 119.26 122.49 3hfa h ALA 180 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3hfa h ALA 180 Cb 0.37 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3hfa h ALA 180 CO 0.01 -0.24 0.18 1.25 0.00 0.00 0.00 179.25 180.45 3hfa h LEU 181 N 0.30 0.22 -0.24 0.00 5.85 -0.76 0.17 115.31 120.85 3hfa h LEU 181 Ca 0.11 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 3hfa h LEU 181 Cb 0.02 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3hfa h LEU 181 CO -0.07 0.16 0.04 -0.09 -0.34 0.00 0.00 178.44 178.15 3hfa h ARG 182 N 0.37 0.39 -0.59 1.25 2.43 -1.03 0.56 114.38 117.76 3hfa h ARG 182 Ca 0.21 -0.10 0.10 0.00 -0.81 0.00 0.00 59.98 59.37 3hfa h ARG 182 Cb 0.18 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.61 3hfa h ARG 182 CO -0.19 0.52 0.18 0.82 -1.51 0.00 0.00 179.97 179.79 3hfa h ILE 183 N 0.20 0.73 0.09 1.20 2.04 -0.83 -0.88 117.51 120.07 3hfa h ILE 183 Ca 0.07 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 3hfa h ILE 183 Cb 0.31 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 3hfa h ILE 183 CO 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 178.15 178.17 3hfa h ALA 184 N 1.43 -0.13 -0.92 1.87 0.00 -0.56 -0.96 119.26 119.99 3hfa h ALA 184 Ca 0.30 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.08 3hfa h ALA 184 Cb 0.40 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3hfa h ALA 184 CO -0.33 -0.40 0.60 0.28 0.00 0.00 0.00 179.25 179.40 3hfa h VAL 185 N -0.47 1.13 0.11 0.00 2.07 -0.76 -0.43 116.25 117.90 3hfa h VAL 185 Ca -0.01 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 3hfa h VAL 185 Cb 0.39 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 3hfa h VAL 185 CO 0.02 0.21 -0.05 0.00 0.02 0.00 0.00 177.57 177.76 3hfa h ALA 186 N 1.47 -0.15 -0.89 1.67 0.00 -1.08 -2.17 119.26 118.11 3hfa h ALA 186 Ca 0.37 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.27 3hfa h ALA 186 Cb 0.06 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 3hfa h ALA 186 CO -0.12 -0.44 0.57 0.00 0.00 0.00 0.00 179.25 179.26 3hfa h ALA 187 N 0.42 1.81 -0.53 0.00 0.00 -0.69 0.33 119.26 120.60 3hfa h ALA 187 Ca -0.02 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3hfa h ALA 187 Cb 0.35 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3hfa h ALA 187 CO 0.02 -0.05 0.04 1.25 0.00 0.00 0.00 179.25 180.52 3hfa h LEU 188 N 0.71 0.83 -0.39 0.00 5.85 -0.87 -3.12 115.31 118.31 3hfa h LEU 188 Ca 0.45 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 59.02 3hfa h LEU 188 Cb 0.69 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 3hfa h LEU 188 CO -0.20 0.87 0.15 0.03 -0.34 0.00 0.00 178.44 178.94 3hfa h ARG 189 N 0.81 0.31 0.00 1.25 3.08 -0.27 -3.48 114.38 116.08 3hfa h ARG 189 Ca 0.16 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3hfa h ARG 189 Cb 0.43 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3hfa h ARG 189 CO 0.02 0.21 0.00 0.00 -1.07 0.00 0.00 179.97 179.12 3hfa n ALA 190 N -2.34 0.26 -2.32 0.04 0.00 -1.18 -5.09 120.51 109.88 3hfa n ALA 190 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.36 3hfa n ALA 190 Cb 0.13 -0.21 0.05 0.00 0.00 0.00 0.00 19.45 19.43 3hfa n ALA 190 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hfa n GLY 204 N -0.00 0.56 0.42 0.00 0.00 -1.26 -4.13 105.19 100.78 3hfa n GLY 204 Ca 0.00 -1.96 0.23 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.54 0.64 0.00 1.61 2.07 -1.94 -1.24 116.25 116.85 3hfa h VAL 205 Ca -0.14 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3hfa h VAL 205 Cb 0.51 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3hfa h VAL 205 CO 0.15 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.78 3hfa h ALA 206 N 1.61 1.00 0.00 1.67 0.00 -1.95 -3.15 119.26 118.43 3hfa h ALA 206 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3hfa h ALA 206 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3hfa h ALA 206 CO -0.09 0.00 -0.00 -1.13 0.00 0.00 0.00 179.25 178.02 3hfa n SER 207 N -2.47 1.77 -4.28 0.00 3.41 -0.50 -4.52 113.62 107.04 3hfa n SER 207 Ca 0.03 -1.92 -0.29 0.00 -0.26 0.00 0.00 58.87 56.44 3hfa n SER 207 Cb 0.33 -0.01 -0.15 0.00 -0.26 0.00 0.00 64.21 64.11 3hfa n SER 207 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hfa s LEU 208 N -0.94 2.08 -0.20 1.04 1.43 -1.02 -0.69 118.68 120.38 3hfa s LEU 208 Ca 0.01 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 52.61 3hfa s LEU 208 Cb 0.01 -1.18 -0.01 0.00 0.03 0.00 0.00 46.19 45.03 3hfa s LEU 208 CO 0.00 0.27 -0.05 -0.70 0.23 0.00 0.00 176.35 176.10 3hfa s GLU 209 N -0.75 3.45 -0.00 1.70 2.12 -0.23 -4.79 118.70 120.20 3hfa s GLU 209 Ca 0.09 -0.61 0.04 0.00 0.36 0.00 0.00 54.97 54.86 3hfa s GLU 209 Cb -0.09 -2.95 -0.01 0.00 0.26 0.00 0.00 34.13 31.34 3hfa s GLU 209 CO -0.00 -0.06 -0.13 0.08 -0.54 0.00 0.00 175.26 174.62 3hfa s VAL 210 N 1.11 1.00 0.16 3.70 1.01 -1.26 -1.55 120.40 124.57 3hfa s VAL 210 Ca 0.01 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.20 3hfa s VAL 210 Cb -0.15 -0.85 0.05 0.00 0.00 0.00 0.00 36.38 35.44 3hfa s VAL 210 CO -0.00 0.24 0.53 0.00 0.00 0.00 0.00 175.10 175.87 3hfa s ALA 211 N -0.37 -1.31 0.10 5.51 0.00 -0.95 -1.37 121.76 123.37 3hfa s ALA 211 Ca 0.04 0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.26 3hfa s ALA 211 Cb -0.05 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 3hfa s ALA 211 CO -0.00 -0.74 -0.10 0.14 0.00 0.00 0.00 175.76 175.05 3hfa s VAL 212 N -3.79 0.96 -0.53 0.00 -7.23 0.02 -0.71 120.40 109.13 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 -0.00 -1.41 0.09 0.00 0.56 0.00 0.00 36.38 35.61 3hfa s VAL 212 CO -0.11 -0.57 0.57 -0.76 -0.31 0.00 0.00 175.10 173.92 3hfa s LEU 213 N -2.51 5.46 -0.52 1.32 1.43 0.49 -1.35 118.68 122.99 3hfa s LEU 213 Ca 0.07 -1.31 -0.20 0.00 -1.03 0.00 0.00 54.13 51.65 3hfa s LEU 213 Cb -0.02 -2.30 0.06 0.00 0.03 0.00 0.00 46.19 43.95 3hfa s LEU 213 CO 0.00 -0.89 0.72 -0.62 0.23 0.00 0.00 176.35 175.79 3hfa s ASP 214 N 3.09 6.25 0.14 2.29 2.15 0.12 -2.44 116.67 128.27 3hfa s ASP 214 Ca 0.09 -0.79 0.15 0.00 0.43 0.00 0.00 52.55 52.44 3hfa s ASP 214 Cb -0.24 -2.33 0.70 0.00 -0.30 0.00 0.00 42.92 40.75 3hfa s ASP 214 CO 0.07 -1.00 1.47 0.00 -0.17 0.00 0.00 175.17 175.54 3hfa n ALA 215 N 6.55 1.36 0.73 3.66 0.00 -0.98 -1.63 120.51 130.20 3hfa n ALA 215 Ca -0.04 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.58 3hfa n ALA 215 Cb 0.46 -1.24 0.39 0.00 0.00 0.00 0.00 19.45 19.05 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 -1.88 0.58 -4.77 0.00 2.85 -1.26 -4.42 115.26 106.35 3hfa n ASN 216 Ca 0.01 0.38 -0.38 0.00 -0.11 0.00 0.00 54.58 54.48 3hfa n ASN 216 Cb 0.11 -0.41 -0.02 0.00 1.24 0.00 0.00 39.78 40.70 3hfa n ASN 216 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 3hfa s ARG 217 N -3.08 4.05 0.06 1.20 1.81 -0.65 -4.98 118.95 117.35 3hfa s ARG 217 Ca 0.10 1.74 -0.24 0.00 -1.72 0.00 0.00 55.73 55.62 3hfa s ARG 217 Cb 0.15 -2.61 -0.17 0.00 -0.45 0.00 0.00 34.95 31.87 3hfa s ARG 217 CO 0.62 -0.30 1.60 -1.35 -0.68 0.00 0.00 175.30 175.19 3hfa h PRO 218 N 2.54 -0.01 0.00 3.54 0.11 -1.89 -3.39 132.00 132.90 3hfa h PRO 218 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3hfa h PRO 218 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3hfa h PRO 218 CO 0.62 0.14 0.00 -2.13 -0.21 0.00 0.00 178.00 176.42 3hfa n ARG 219 N -5.02 0.00 -2.74 1.05 0.63 -1.26 -4.36 116.66 104.96 3hfa n ARG 219 Ca -0.07 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.43 3hfa n ARG 219 Cb 0.10 -0.10 -0.03 0.00 0.45 0.00 0.00 32.46 32.87 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 -1.27 3.39 0.42 -0.14 0.52 -1.26 -4.41 118.95 116.20 3hfa s ARG 220 Ca 0.00 -0.09 0.22 0.00 -0.52 0.00 0.00 55.73 55.35 3hfa s ARG 220 Cb 0.00 -4.05 0.34 0.00 0.52 0.00 0.00 34.95 31.76 3hfa s ARG 220 CO 0.00 -1.58 1.60 0.00 0.02 0.00 0.00 175.30 175.34 3hfa h ALA 221 N 9.42 0.96 -2.39 2.13 0.00 -1.19 -3.45 119.26 124.74 3hfa h ALA 221 Ca -0.26 -0.06 -0.54 0.00 0.00 0.00 0.00 54.91 54.05 3hfa h ALA 221 Cb 1.07 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3hfa h ALA 221 CO 1.13 0.08 0.62 0.12 0.00 0.00 0.00 179.25 181.20 3hfa s PHE 222 N -3.19 3.33 -0.13 0.00 5.36 -1.26 0.12 117.98 122.20 3hfa s PHE 222 Ca 0.06 1.29 -0.09 0.00 -0.96 0.00 0.00 56.93 57.23 3hfa s PHE 222 Cb 0.05 -3.39 0.04 0.00 -0.34 0.00 0.00 43.02 39.38 3hfa s PHE 222 CO 0.68 -1.18 0.33 -0.98 -1.46 0.00 0.00 175.22 172.60 3hfa s ARG 223 N 1.66 0.34 0.37 10.12 1.70 -0.46 -4.96 118.95 127.71 3hfa s ARG 223 Ca 0.57 0.56 -0.20 0.00 -0.47 0.00 0.00 55.73 56.18 3hfa s ARG 223 Cb -0.26 0.05 -0.10 0.00 -0.57 0.00 0.00 34.95 34.07 3hfa s ARG 223 CO 0.25 -0.11 0.87 1.03 -1.08 0.00 0.00 175.30 176.27 3hfa s ARG 224 N 0.78 4.23 -0.27 3.89 0.52 -1.26 -0.80 118.95 126.03 3hfa s ARG 224 Ca -0.05 1.02 0.01 0.00 -0.52 0.00 0.00 55.73 56.19 3hfa s ARG 224 Cb -0.06 -2.41 0.06 0.00 0.52 0.00 0.00 34.95 33.05 3hfa s ARG 224 CO -0.05 0.11 -0.07 0.42 0.02 0.00 0.00 175.30 175.73 3hfa s ILE 225 N -1.97 2.47 0.21 1.52 1.01 -0.47 -4.93 121.20 119.04 3hfa s ILE 225 Ca 0.56 -1.54 0.03 0.00 0.00 0.00 0.00 60.65 59.70 3hfa s ILE 225 Cb -0.12 -2.44 -0.05 0.00 0.01 0.00 0.00 42.46 39.86 3hfa s ILE 225 CO 0.17 -0.06 -0.00 0.42 0.00 0.00 0.00 174.94 175.47 3hfa s THR 226 N 1.16 0.90 0.00 2.92 -4.23 -1.26 -4.26 115.64 110.86 3hfa s THR 226 Ca -0.08 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 3hfa s THR 226 Cb -0.20 -2.26 0.00 0.00 1.34 0.00 0.00 72.50 71.38 3hfa s THR 226 CO -0.04 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.28 3hfa n GLY 227 N -0.35 2.39 0.35 3.99 0.00 -1.26 -3.10 105.19 107.21 3hfa n GLY 227 Ca -0.05 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 1.13 0.74 -0.73 1.61 4.64 -1.98 -0.82 113.55 118.14 3hfa h SER 228 Ca 0.00 0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.39 3hfa h SER 228 Cb 0.00 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.03 3hfa h SER 228 CO 0.00 0.25 0.34 0.00 -0.87 0.00 0.00 176.83 176.56 3hfa h ALA 229 N 1.64 0.94 -0.75 5.18 0.00 -1.95 -0.33 119.26 123.99 3hfa h ALA 229 Ca 0.57 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 3hfa h ALA 229 Cb 0.89 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3hfa h ALA 229 CO -0.39 0.51 0.29 1.25 0.00 0.00 0.00 179.25 180.91 3hfa h LEU 230 N 1.02 1.05 -0.77 0.00 5.85 -1.26 -1.60 115.31 119.60 3hfa h LEU 230 Ca 0.25 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3hfa h LEU 230 Cb 0.13 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 3hfa h LEU 230 CO -0.03 0.94 0.40 -0.61 -0.34 0.00 0.00 178.44 178.80 3hfa h GLN 231 N 1.09 1.09 -0.84 1.25 5.75 -0.61 -2.43 115.11 120.40 3hfa h GLN 231 Ca 0.25 -0.14 -0.03 0.00 -0.15 0.00 0.00 58.65 58.58 3hfa h GLN 231 Cb 0.23 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.53 3hfa h GLN 231 CO -0.02 0.82 0.41 0.00 -2.65 0.00 0.00 178.83 177.40 3hfa h ALA 232 N 1.20 1.09 -0.62 3.38 0.00 -0.52 -3.13 119.26 120.66 3hfa h ALA 232 Ca 0.27 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3hfa h ALA 232 Cb 0.07 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3hfa h ALA 232 CO -0.04 0.64 0.15 -0.07 0.00 0.00 0.00 179.25 179.93 3hfa h LEU 233 N 1.19 0.91 0.00 0.00 3.38 -0.81 -3.52 115.31 116.46 3hfa h LEU 233 Ca 0.29 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3hfa h LEU 233 Cb 0.10 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3hfa h LEU 233 CO -0.04 0.88 0.00 0.18 0.09 0.00 0.00 178.44 179.55