#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfp n TRP 5 N 0.00 1.40 -0.47 4.41 4.27 -1.26 -4.85 117.44 120.94 3hfp n TRP 5 Ca 0.00 0.47 0.00 0.00 -3.89 0.00 0.00 57.50 54.08 3hfp n TRP 5 Cb 0.00 -2.24 0.00 0.00 -1.36 0.00 0.00 31.31 27.71 3hfp n TRP 5 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 3hfp n GLY 6 N 1.08 3.97 0.00 -1.67 0.00 0.47 -5.01 105.19 104.03 3hfp n GLY 6 Ca 0.11 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3hfp n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hfp n TYR 7 N 0.00 0.00 -2.40 1.61 4.02 -1.26 -3.95 117.16 115.17 3hfp n TYR 7 Ca 0.00 -0.16 -0.25 0.00 -0.01 0.00 0.00 57.90 57.47 3hfp n TYR 7 Cb 0.00 -0.02 0.12 0.00 -0.02 0.00 0.00 39.34 39.43 3hfp n TYR 7 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3hfp s GLY 8 N -0.33 1.76 0.58 2.72 0.00 -1.26 -4.70 107.32 106.09 3hfp s GLY 8 Ca 0.00 -1.55 0.31 0.00 0.00 0.00 0.00 44.72 43.48 3hfp s GLY 8 CO 0.00 -0.95 1.76 1.70 0.00 0.00 0.00 173.10 175.61 3hfp h LYS 9 N -0.80 0.00 0.00 2.90 1.63 -1.98 -0.21 116.57 118.12 3hfp h LYS 9 Ca -0.39 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 3hfp h LYS 9 Cb 1.26 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 3hfp h LYS 9 CO 0.41 0.00 -0.74 0.72 -3.45 0.00 0.00 179.45 176.39 3hfp n HIS 10 N -3.78 0.00 -0.57 1.91 8.25 -1.26 -4.63 115.22 115.14 3hfp n HIS 10 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 3hfp n HIS 10 Cb 1.03 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 32.08 3hfp n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3hfp n ASN 11 N -1.40 0.76 -3.03 0.41 0.23 -1.18 -4.92 115.26 106.13 3hfp n ASN 11 Ca -0.00 -1.33 -0.15 0.00 -0.53 0.00 0.00 54.58 52.57 3hfp n ASN 11 Cb 0.10 0.00 0.12 0.00 -2.08 0.00 0.00 39.78 37.92 3hfp n ASN 11 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hfp n GLY 12 N -0.16 -2.07 0.50 4.83 0.00 -0.10 -0.40 105.19 107.80 3hfp n GLY 12 Ca 0.00 -1.57 0.32 0.00 0.00 0.00 0.00 46.02 44.78 3hfp n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hfp h PRO 13 N 0.00 0.01 -0.00 1.61 0.11 -1.84 0.49 132.00 132.37 3hfp h PRO 13 Ca -0.22 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3hfp h PRO 13 Cb 0.64 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3hfp h PRO 13 CO 0.15 0.01 -0.06 0.39 -0.21 0.00 0.00 178.00 178.27 3hfp n GLU 14 N -4.23 0.61 -0.00 1.05 4.71 -1.26 -3.26 120.64 118.26 3hfp n GLU 14 Ca 0.22 -0.12 0.08 0.00 -0.01 0.00 0.00 57.16 57.34 3hfp n GLU 14 Cb 1.12 -1.50 -0.11 0.00 -1.01 0.00 0.00 31.44 29.94 3hfp n GLU 14 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 3hfp n HIS 15 N -1.09 0.00 0.07 -0.32 8.25 0.15 -4.69 115.22 117.59 3hfp n HIS 15 Ca 0.15 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.65 3hfp n HIS 15 Cb 0.25 -0.07 0.43 0.00 1.12 0.00 0.00 29.99 31.72 3hfp n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3hfp h TRP 16 N 0.00 0.38 -0.22 4.41 6.55 -1.51 -2.83 115.95 122.72 3hfp h TRP 16 Ca 0.00 -0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.83 3hfp h TRP 16 Cb 0.49 -0.12 -0.01 0.00 -0.86 0.00 0.00 29.16 28.65 3hfp h TRP 16 CO 0.00 0.32 0.14 1.12 -1.05 0.00 0.00 178.44 178.97 3hfp h HIS 17 N 0.38 0.28 -0.22 0.49 2.07 -1.81 0.18 115.15 116.52 3hfp h HIS 17 Ca 0.09 0.01 0.04 0.00 -2.85 0.00 0.00 60.37 57.66 3hfp h HIS 17 Cb 0.11 -0.10 -0.04 0.00 2.57 0.00 0.00 27.41 29.96 3hfp h HIS 17 CO 0.00 0.19 -0.02 0.87 -3.07 0.00 0.00 177.93 175.90 3hfp h LYS 18 N 0.30 0.04 0.00 5.12 1.57 -1.86 -2.74 116.57 119.01 3hfp h LYS 18 Ca 0.08 -0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.67 3hfp h LYS 18 Cb -0.02 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 3hfp h LYS 18 CO -0.02 0.03 -1.17 -0.44 -0.57 0.00 0.00 179.45 177.28 3hfp h ASP 19 N 0.04 0.00 -3.00 0.86 5.19 -1.67 -3.42 116.42 114.42 3hfp h ASP 19 Ca 0.11 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.91 3hfp h ASP 19 Cb 0.15 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 39.26 3hfp h ASP 19 CO -0.20 0.75 -0.78 -0.36 -3.12 0.00 0.00 179.24 175.53 3hfp s PHE 20 N -2.81 1.95 0.63 4.55 0.08 0.61 -5.01 117.98 117.99 3hfp s PHE 20 Ca -0.01 -2.53 0.37 0.00 0.12 0.00 0.00 56.93 54.88 3hfp s PHE 20 Cb 0.09 -1.69 2.11 0.00 -0.57 0.00 0.00 43.02 42.95 3hfp s PHE 20 CO 0.80 -0.75 2.30 -1.35 -0.10 0.00 0.00 175.22 176.13 3hfp h PRO 21 N 6.14 0.00 0.00 0.24 0.11 -1.73 -1.89 132.00 134.87 3hfp h PRO 21 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3hfp h PRO 21 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3hfp h PRO 21 CO 0.48 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.78 3hfp n ILE 22 N -3.47 1.16 -0.32 4.15 3.06 -1.26 -2.55 119.36 120.13 3hfp n ILE 22 Ca -0.03 0.35 0.36 0.00 -2.50 0.00 0.00 62.75 60.93 3hfp n ILE 22 Cb 0.09 -1.23 0.70 0.00 0.54 0.00 0.00 39.64 39.74 3hfp n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3hfp h ALA 23 N 2.28 3.11 -0.17 1.51 0.00 -1.65 0.22 119.26 124.56 3hfp h ALA 23 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hfp h ALA 23 Cb 0.20 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3hfp h ALA 23 CO 0.00 -1.64 -0.01 1.63 0.00 0.00 0.00 179.25 179.24 3hfp n LYS 24 N -3.83 2.33 -0.12 0.00 5.02 -1.06 -4.98 118.16 115.52 3hfp n LYS 24 Ca 0.27 -2.77 -0.02 0.00 -2.02 0.00 0.00 58.31 53.76 3hfp n LYS 24 Cb 1.40 -1.73 0.02 0.00 -0.02 0.00 0.00 35.03 34.70 3hfp n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hfp n GLY 25 N -0.85 -1.76 0.14 0.72 0.00 0.78 -5.01 105.19 99.21 3hfp n GLY 25 Ca 0.20 -1.57 0.12 0.00 0.00 0.00 0.00 46.02 44.77 3hfp n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hfp h GLU 26 N 0.00 0.00 -1.61 1.61 4.39 -1.97 -3.39 114.58 113.61 3hfp h GLU 26 Ca -0.03 0.00 -0.44 0.00 0.34 0.00 0.00 59.36 59.23 3hfp h GLU 26 Cb 0.10 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.35 3hfp h GLU 26 CO 0.02 0.00 -1.17 2.89 -1.16 0.00 0.00 179.01 179.59 3hfp n ARG 27 N -2.66 1.17 -2.88 2.33 1.85 -1.26 -4.83 116.66 110.39 3hfp n ARG 27 Ca 0.02 -3.41 -0.31 0.00 -1.00 0.00 0.00 57.85 53.15 3hfp n ARG 27 Cb 0.51 -1.56 -0.04 0.00 -1.05 0.00 0.00 32.46 30.32 3hfp n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3hfp s GLN 28 N -2.76 3.88 0.19 2.89 -1.52 -1.26 -2.93 119.66 118.15 3hfp s GLN 28 Ca 0.35 0.61 0.08 0.00 -1.95 0.00 0.00 55.36 54.45 3hfp s GLN 28 Cb 0.39 -2.36 -0.04 0.00 -0.22 0.00 0.00 33.01 30.78 3hfp s GLN 28 CO -0.04 -0.01 -0.15 -1.12 -0.25 0.00 0.00 175.29 173.72 3hfp s SER 29 N -2.85 2.54 1.05 5.90 0.01 -1.26 -4.64 113.70 114.45 3hfp s SER 29 Ca 0.53 -0.97 -0.18 0.00 1.31 0.00 0.00 55.95 56.64 3hfp s SER 29 Cb -0.10 -0.13 0.24 0.00 0.21 0.00 0.00 66.02 66.24 3hfp s SER 29 CO 0.27 -0.14 1.29 -2.16 0.41 0.00 0.00 173.24 172.91 3hfp s PRO 30 N -3.41 -0.05 0.15 12.44 0.04 -1.26 -4.61 135.00 138.30 3hfp s PRO 30 Ca 0.20 -0.42 -0.00 0.00 0.04 0.00 0.00 61.00 60.81 3hfp s PRO 30 Cb -0.02 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 3hfp s PRO 30 CO 0.06 -2.88 0.06 0.14 0.04 0.00 0.00 177.00 174.42 3hfp s VAL 31 N -3.72 0.22 -0.01 -0.36 -7.23 -1.26 0.85 120.40 108.89 3hfp s VAL 31 Ca 0.75 -1.94 -0.29 0.00 -1.81 0.00 0.00 61.98 58.70 3hfp s VAL 31 Cb -0.04 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.72 3hfp s VAL 31 CO 0.54 -0.39 0.92 -0.62 -0.31 0.00 0.00 175.10 175.25 3hfp s ASP 32 N -3.10 7.30 -0.64 4.85 3.68 -1.26 -3.15 116.67 124.35 3hfp s ASP 32 Ca 0.27 1.57 -0.20 0.00 2.13 0.00 0.00 52.55 56.32 3hfp s ASP 32 Cb 0.07 -2.54 0.10 0.00 -1.45 0.00 0.00 42.92 39.10 3hfp s ASP 32 CO 0.04 -0.22 0.80 -0.63 0.13 0.00 0.00 175.17 175.29 3hfp s ILE 33 N 0.91 4.70 -0.44 4.11 1.01 0.16 -4.95 121.20 126.71 3hfp s ILE 33 Ca 0.49 -0.91 -0.28 0.00 0.00 0.00 0.00 60.65 59.95 3hfp s ILE 33 Cb -0.20 -4.56 0.00 0.00 0.01 0.00 0.00 42.46 37.71 3hfp s ILE 33 CO 0.26 -1.24 1.51 -0.62 0.00 0.00 0.00 174.94 174.85 3hfp s ASP 34 N 3.61 6.15 0.55 3.58 2.15 -1.26 -0.71 116.67 130.74 3hfp s ASP 34 Ca 0.16 0.77 0.28 0.00 0.43 0.00 0.00 52.55 54.19 3hfp s ASP 34 Cb -0.21 -2.54 1.60 0.00 -0.30 0.00 0.00 42.92 41.48 3hfp s ASP 34 CO 0.06 -1.60 2.14 0.71 -0.17 0.00 0.00 175.17 176.32 3hfp h THR 35 N 6.54 0.54 0.00 1.71 1.35 -1.94 -2.07 112.91 119.04 3hfp h THR 35 Ca -0.28 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 3hfp h THR 35 Cb 1.12 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 3hfp h THR 35 CO 1.10 0.07 -0.69 1.41 -0.25 0.00 0.00 175.52 177.16 3hfp n HIS 36 N -3.71 0.44 -0.05 4.73 8.25 -1.26 -3.89 115.22 119.73 3hfp n HIS 36 Ca -0.02 0.13 -0.04 0.00 -0.26 0.00 0.00 57.72 57.53 3hfp n HIS 36 Cb 0.18 -0.57 -0.15 0.00 1.12 0.00 0.00 29.99 30.57 3hfp n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3hfp n THR 37 N -2.02 1.10 -1.81 1.59 -1.04 -1.00 -4.95 114.28 106.15 3hfp n THR 37 Ca 0.03 -0.75 -0.41 0.00 -2.04 0.00 0.00 64.05 60.88 3hfp n THR 37 Cb 0.43 -0.48 -0.01 0.00 -1.82 0.00 0.00 70.33 68.45 3hfp n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hfp s ALA 38 N -2.78 3.66 -0.13 2.41 0.00 -0.81 -4.87 121.76 119.23 3hfp s ALA 38 Ca -0.08 1.55 -0.01 0.00 0.00 0.00 0.00 51.96 53.43 3hfp s ALA 38 Cb 0.08 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 3hfp s ALA 38 CO 0.84 -1.00 -0.10 0.21 0.00 0.00 0.00 175.76 175.72 3hfp s LYS 39 N -1.23 3.43 0.26 0.00 2.20 -0.90 -4.82 119.74 118.67 3hfp s LYS 39 Ca 0.58 -0.63 -0.30 0.00 -0.36 0.00 0.00 55.97 55.26 3hfp s LYS 39 Cb -0.47 -2.71 -0.13 0.00 -1.51 0.00 0.00 37.83 33.01 3hfp s LYS 39 CO 0.55 0.25 1.32 0.98 -0.36 0.00 0.00 175.35 178.08 3hfp n TYR 40 N 3.44 2.01 -4.00 4.03 4.19 -1.26 -0.55 117.16 125.02 3hfp n TYR 40 Ca -0.18 0.51 -0.33 0.00 3.31 0.00 0.00 57.90 61.21 3hfp n TYR 40 Cb 0.53 -2.41 -0.14 0.00 0.49 0.00 0.00 39.34 37.80 3hfp n TYR 40 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 3hfp s ASP 41 N 0.05 4.66 0.51 2.98 3.68 0.02 -4.79 116.67 123.79 3hfp s ASP 41 Ca 0.65 -1.51 0.19 0.00 2.13 0.00 0.00 52.55 54.01 3hfp s ASP 41 Cb -0.66 -1.62 1.31 0.00 -1.45 0.00 0.00 42.92 40.50 3hfp s ASP 41 CO 0.54 -0.26 2.11 -0.65 0.13 0.00 0.00 175.17 177.04 3hfp h PRO 42 N 7.83 0.00 -0.00 4.34 0.11 -1.93 -3.08 132.00 139.26 3hfp h PRO 42 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 3hfp h PRO 42 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3hfp h PRO 42 CO 0.50 0.07 -0.11 -1.13 -0.21 0.00 0.00 178.00 177.13 3hfp n SER 43 N -4.24 0.32 -4.67 -2.05 3.41 -1.26 -4.79 113.62 100.34 3hfp n SER 43 Ca -0.03 -0.33 -0.42 0.00 -0.26 0.00 0.00 58.87 57.83 3hfp n SER 43 Cb 0.15 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 63.94 3hfp n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hfp s LEU 44 N -2.60 4.29 0.88 1.04 1.02 -1.17 -5.02 118.68 117.12 3hfp s LEU 44 Ca 0.26 2.06 -0.12 0.00 0.02 0.00 0.00 54.13 56.35 3hfp s LEU 44 Cb 0.20 -3.55 0.12 0.00 0.02 0.00 0.00 46.19 42.98 3hfp s LEU 44 CO 0.50 -0.79 1.11 -0.54 0.02 0.00 0.00 176.35 176.65 3hfp s LYS 45 N 3.15 1.43 0.66 1.70 3.01 -1.22 -4.91 119.74 123.57 3hfp s LYS 45 Ca 0.65 0.48 -0.15 0.00 -1.01 0.00 0.00 55.97 55.93 3hfp s LYS 45 Cb -0.30 -1.86 0.00 0.00 -1.01 0.00 0.00 37.83 34.67 3hfp s LYS 45 CO 0.25 -2.04 1.13 -2.14 0.51 0.00 0.00 175.35 173.06 3hfp s PRO 46 N -5.18 2.73 0.29 -1.68 0.02 -1.26 -2.41 135.00 127.51 3hfp s PRO 46 Ca 0.63 1.48 -0.26 0.00 0.02 0.00 0.00 61.00 62.87 3hfp s PRO 46 Cb -0.15 -1.93 -0.09 0.00 0.02 0.00 0.00 34.50 32.34 3hfp s PRO 46 CO 0.54 -1.32 0.90 -1.17 -0.33 0.00 0.00 177.00 175.62 3hfp s LEU 47 N -4.82 4.40 -0.20 -5.54 0.20 -1.26 -1.79 118.68 109.66 3hfp s LEU 47 Ca 0.69 1.78 0.01 0.00 0.69 0.00 0.00 54.13 57.30 3hfp s LEU 47 Cb -0.22 -3.86 0.04 0.00 -0.43 0.00 0.00 46.19 41.72 3hfp s LEU 47 CO 0.41 -0.01 -0.09 -0.55 -0.29 0.00 0.00 176.35 175.82 3hfp s SER 48 N -1.54 3.43 -0.38 3.68 0.15 0.12 -4.91 113.70 114.25 3hfp s SER 48 Ca 0.47 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 56.21 3hfp s SER 48 Cb -0.20 -1.21 0.11 0.00 -1.71 0.00 0.00 66.02 63.01 3hfp s SER 48 CO 0.25 -0.16 0.14 -0.69 1.20 0.00 0.00 173.24 173.98 3hfp s VAL 49 N 1.40 2.82 -0.69 4.45 1.01 -1.26 -1.37 120.40 126.76 3hfp s VAL 49 Ca -0.02 -2.23 -0.12 0.00 0.00 0.00 0.00 61.98 59.61 3hfp s VAL 49 Cb -0.16 -2.99 0.18 0.00 0.00 0.00 0.00 36.38 33.40 3hfp s VAL 49 CO -0.08 -0.65 0.61 -0.44 0.00 0.00 0.00 175.10 174.53 3hfp s SER 50 N 1.35 6.28 -0.08 3.32 0.01 -0.50 -4.90 113.70 119.18 3hfp s SER 50 Ca 0.10 -2.41 0.12 0.00 1.31 0.00 0.00 55.95 55.06 3hfp s SER 50 Cb -0.21 -2.13 0.29 0.00 0.21 0.00 0.00 66.02 64.17 3hfp s SER 50 CO -0.06 -0.62 1.21 -1.22 0.41 0.00 0.00 173.24 172.96 3hfp n TYR 51 N 4.31 0.37 -0.20 2.43 0.53 -1.26 -1.45 117.16 121.89 3hfp n TYR 51 Ca 0.04 -0.71 -0.09 0.00 -1.02 0.00 0.00 57.90 56.12 3hfp n TYR 51 Cb 0.43 -0.14 0.02 0.00 -1.03 0.00 0.00 39.34 38.62 3hfp n TYR 51 CO 0.00 0.00 0.00 0.38 -1.02 0.00 0.00 176.86 176.22 3hfp h ASP 52 N 1.02 0.91 -0.41 7.72 2.03 -1.91 -3.19 116.42 122.59 3hfp h ASP 52 Ca 0.00 -0.27 0.00 0.00 -0.73 0.00 0.00 57.03 56.03 3hfp h ASP 52 Cb 0.92 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 39.18 3hfp h ASP 52 CO 0.06 0.96 0.00 1.67 -1.03 0.00 0.00 179.24 180.90 3hfp n GLN 53 N -4.32 3.31 -2.00 4.15 -0.06 -1.24 -4.99 117.38 112.24 3hfp n GLN 53 Ca 0.02 -2.04 -0.42 0.00 -2.00 0.00 0.00 57.00 52.56 3hfp n GLN 53 Cb 0.29 -1.89 -0.03 0.00 -4.06 0.00 0.00 30.24 24.55 3hfp n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3hfp s ALA 54 N -2.01 3.72 -0.60 1.69 0.00 -1.21 -4.65 121.76 118.70 3hfp s ALA 54 Ca 0.36 1.30 0.02 0.00 0.00 0.00 0.00 51.96 53.64 3hfp s ALA 54 Cb 0.26 -3.59 0.15 0.00 0.00 0.00 0.00 23.12 19.93 3hfp s ALA 54 CO 0.13 -0.73 0.38 0.99 0.00 0.00 0.00 175.76 176.53 3hfp s THR 55 N 1.04 3.02 0.73 0.00 2.01 -1.26 -4.80 115.64 116.38 3hfp s THR 55 Ca 0.68 -3.47 -0.14 0.00 0.31 0.00 0.00 61.69 59.07 3hfp s THR 55 Cb -0.42 -3.02 0.04 0.00 0.01 0.00 0.00 72.50 69.11 3hfp s THR 55 CO 0.32 -0.88 1.15 -0.94 -0.69 0.00 0.00 174.62 173.59 3hfp s SER 56 N -0.29 4.42 0.00 3.53 1.04 -1.26 -0.35 113.70 120.79 3hfp s SER 56 Ca 0.19 2.15 0.00 0.00 0.48 0.00 0.00 55.95 58.78 3hfp s SER 56 Cb -0.19 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.36 3hfp s SER 56 CO -0.05 -2.10 0.00 0.18 0.98 0.00 0.00 173.24 172.25 3hfp n LEU 57 N -2.85 0.00 -3.71 2.42 4.77 0.34 -3.99 117.00 113.98 3hfp n LEU 57 Ca 0.12 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.00 3hfp n LEU 57 Cb 0.51 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 3hfp n LEU 57 CO 0.48 -0.28 0.30 0.00 -1.33 0.00 0.00 177.39 176.57 3hfp s ARG 58 N -2.00 1.40 -0.10 3.23 1.04 -1.23 -1.41 118.95 119.87 3hfp s ARG 58 Ca 0.00 -0.82 0.02 0.00 -1.04 0.00 0.00 55.73 53.89 3hfp s ARG 58 Cb 0.00 0.54 -0.01 0.00 -2.04 0.00 0.00 34.95 33.44 3hfp s ARG 58 CO 0.00 -0.60 -0.19 -1.50 -0.04 0.00 0.00 175.30 172.97 3hfp s ILE 59 N -3.86 2.56 -0.10 4.99 2.07 -0.37 -0.31 121.20 126.18 3hfp s ILE 59 Ca 0.08 -0.85 0.02 0.00 -1.41 0.00 0.00 60.65 58.49 3hfp s ILE 59 Cb -0.01 -2.02 0.01 0.00 0.13 0.00 0.00 42.46 40.57 3hfp s ILE 59 CO -0.03 0.55 -0.17 -0.22 -1.91 0.00 0.00 174.94 173.15 3hfp s LEU 60 N 0.20 1.81 -0.48 8.50 2.96 -0.26 -1.03 118.68 130.38 3hfp s LEU 60 Ca -0.11 -0.44 -0.26 0.00 -0.22 0.00 0.00 54.13 53.09 3hfp s LEU 60 Cb -0.16 -1.13 0.03 0.00 0.50 0.00 0.00 46.19 45.43 3hfp s LEU 60 CO 0.06 0.05 0.99 0.21 -1.32 0.00 0.00 176.35 176.35 3hfp s ASN 61 N 0.77 6.50 -0.15 3.68 3.84 -0.70 -0.23 114.94 128.65 3hfp s ASN 61 Ca -0.11 0.13 0.16 0.00 0.21 0.00 0.00 52.86 53.26 3hfp s ASN 61 Cb -0.16 -2.48 0.74 0.00 -0.55 0.00 0.00 41.25 38.81 3hfp s ASN 61 CO 0.02 -1.15 1.65 -0.46 -2.79 0.00 0.00 177.10 174.37 3hfp n ASN 62 N 7.44 5.01 0.00 -4.21 0.23 -0.90 -0.32 115.26 122.51 3hfp n ASN 62 Ca 0.07 -2.59 0.00 0.00 -0.53 0.00 0.00 54.58 51.53 3hfp n ASN 62 Cb 0.49 -0.61 0.00 0.00 -2.08 0.00 0.00 39.78 37.57 3hfp n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hfp n GLY 63 N 0.97 1.47 0.00 4.83 0.00 -1.26 -4.72 105.19 106.47 3hfp n GLY 63 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3hfp n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hfp n HIS 64 N -2.00 0.00 -3.10 1.61 8.25 -1.26 -4.72 115.22 114.00 3hfp n HIS 64 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 3hfp n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3hfp n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hfp n ALA 65 N -1.67 -0.12 -2.40 -1.41 0.00 -1.26 -4.85 120.51 108.80 3hfp n ALA 65 Ca 0.00 -0.09 -0.32 0.00 0.00 0.00 0.00 53.44 53.03 3hfp n ALA 65 Cb 0.34 0.07 -0.15 0.00 0.00 0.00 0.00 19.45 19.72 3hfp n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3hfp s PHE 66 N -8.23 2.51 -0.16 0.00 -0.12 -1.26 -2.13 117.98 108.60 3hfp s PHE 66 Ca 0.01 -0.31 -0.03 0.00 -0.05 0.00 0.00 56.93 56.55 3hfp s PHE 66 Cb -0.00 -1.56 -0.02 0.00 -0.63 0.00 0.00 43.02 40.80 3hfp s PHE 66 CO 0.01 0.07 -0.06 -0.80 -0.05 0.00 0.00 175.22 174.39 3hfp s ASN 67 N -0.66 4.56 -0.27 1.98 0.02 0.68 -4.31 114.94 116.95 3hfp s ASN 67 Ca 0.10 -0.21 -0.15 0.00 -1.02 0.00 0.00 52.86 51.58 3hfp s ASN 67 Cb -0.10 -1.74 -0.04 0.00 0.02 0.00 0.00 41.25 39.39 3hfp s ASN 67 CO -0.00 0.14 0.37 -0.69 0.02 0.00 0.00 177.10 176.93 3hfp s VAL 68 N 0.56 5.18 0.01 1.60 1.01 0.00 -1.10 120.40 127.65 3hfp s VAL 68 Ca -0.04 0.57 -0.01 0.00 0.00 0.00 0.00 61.98 62.50 3hfp s VAL 68 Cb -0.15 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 3hfp s VAL 68 CO 0.03 0.16 0.12 -1.61 0.00 0.00 0.00 175.10 173.80 3hfp s GLU 69 N 2.02 3.19 0.15 2.72 2.02 0.58 -1.39 118.70 127.98 3hfp s GLU 69 Ca 0.15 -0.45 0.10 0.00 0.02 0.00 0.00 54.97 54.80 3hfp s GLU 69 Cb -0.16 -2.93 -0.04 0.00 0.10 0.00 0.00 34.13 31.10 3hfp s GLU 69 CO 0.10 0.65 -0.23 -0.06 0.02 0.00 0.00 175.26 175.73 3hfp s PHE 70 N -1.27 2.38 -0.62 1.61 0.40 0.97 -0.51 117.98 120.94 3hfp s PHE 70 Ca 0.26 -0.34 -0.27 0.00 -0.60 0.00 0.00 56.93 55.98 3hfp s PHE 70 Cb -0.12 -1.25 -0.00 0.00 0.51 0.00 0.00 43.02 42.15 3hfp s PHE 70 CO 0.17 0.40 1.67 0.34 0.70 0.00 0.00 175.22 178.50 3hfp s ASP 71 N -2.28 5.62 -0.11 1.36 2.15 0.52 -4.81 116.67 119.12 3hfp s ASP 71 Ca 0.17 0.21 0.17 0.00 0.43 0.00 0.00 52.55 53.53 3hfp s ASP 71 Cb -0.10 -2.54 0.67 0.00 -0.30 0.00 0.00 42.92 40.65 3hfp s ASP 71 CO 0.08 -2.13 1.56 -0.90 -0.17 0.00 0.00 175.17 173.61 3hfp n ASP 72 N 11.44 4.42 0.01 -0.34 3.85 -1.26 -4.42 116.55 130.25 3hfp n ASP 72 Ca 0.16 -2.41 0.09 0.00 -0.71 0.00 0.00 54.79 51.91 3hfp n ASP 72 Cb 0.51 -0.56 0.40 0.00 -1.35 0.00 0.00 41.12 40.12 3hfp n ASP 72 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3hfp n SER 73 N 1.02 0.03 -4.08 -1.12 3.41 -1.26 -4.75 113.62 106.87 3hfp n SER 73 Ca 0.24 0.51 -0.08 0.00 -0.26 0.00 0.00 58.87 59.27 3hfp n SER 73 Cb 0.83 -0.51 -0.10 0.00 -0.26 0.00 0.00 64.21 64.17 3hfp n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3hfp s GLN 74 N -3.01 0.59 -0.88 4.33 -0.21 -1.26 -5.08 119.66 114.13 3hfp s GLN 74 Ca 0.09 -1.11 -0.25 0.00 0.02 0.00 0.00 55.36 54.11 3hfp s GLN 74 Cb 0.12 0.11 -0.06 0.00 1.00 0.00 0.00 33.01 34.18 3hfp s GLN 74 CO 0.34 -0.08 2.00 -0.51 -2.12 0.00 0.00 175.29 174.92 3hfp s ASP 75 N -2.63 5.00 0.00 5.90 1.11 -1.26 -4.58 116.67 120.21 3hfp s ASP 75 Ca 0.03 -0.57 0.00 0.00 0.18 0.00 0.00 52.55 52.19 3hfp s ASP 75 Cb 0.04 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.47 3hfp s ASP 75 CO -0.07 -2.87 0.00 0.29 1.18 0.00 0.00 175.17 173.70 3hfp n LYS 76 N 8.86 0.00 -4.01 8.23 5.02 -1.26 -4.98 118.16 130.02 3hfp n LYS 76 Ca 0.40 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.38 3hfp n LYS 76 Cb 0.47 -0.69 -0.16 0.00 -0.02 0.00 0.00 35.03 34.63 3hfp n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hfp s ALA 77 N -1.96 2.18 0.06 7.82 0.00 -1.26 -3.64 121.76 124.97 3hfp s ALA 77 Ca 0.00 -1.41 0.02 0.00 0.00 0.00 0.00 51.96 50.58 3hfp s ALA 77 Cb 0.00 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.69 3hfp s ALA 77 CO 0.00 -0.98 -0.08 0.14 0.00 0.00 0.00 175.76 174.84 3hfp s VAL 78 N 1.30 0.62 -0.14 0.00 -7.23 -0.53 -1.25 120.40 113.18 3hfp s VAL 78 Ca -0.04 -1.35 -0.03 0.00 -1.81 0.00 0.00 61.98 58.75 3hfp s VAL 78 Cb -0.18 -0.96 -0.03 0.00 0.56 0.00 0.00 36.38 35.78 3hfp s VAL 78 CO -0.07 -0.52 -0.04 -0.76 -0.31 0.00 0.00 175.10 173.40 3hfp s LEU 79 N -2.03 3.28 0.31 1.32 1.43 -0.11 -1.41 118.68 121.47 3hfp s LEU 79 Ca -0.03 -0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 52.94 3hfp s LEU 79 Cb -0.06 -1.78 -0.00 0.00 0.03 0.00 0.00 46.19 44.39 3hfp s LEU 79 CO -0.01 0.21 0.44 -1.59 0.23 0.00 0.00 176.35 175.64 3hfp s LYS 80 N 0.09 1.78 0.44 1.70 -2.85 -0.47 -2.08 119.74 118.35 3hfp s LYS 80 Ca -0.00 -1.66 0.00 0.00 -1.00 0.00 0.00 55.97 53.31 3hfp s LYS 80 Cb -0.13 0.43 0.00 0.00 -2.06 0.00 0.00 37.83 36.07 3hfp s LYS 80 CO 0.03 -0.73 0.00 0.41 0.10 0.00 0.00 175.35 175.16 3hfp n GLY 81 N -0.51 -2.22 7.00 0.59 0.00 -1.26 0.12 105.19 108.91 3hfp n GLY 81 Ca 0.01 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3hfp n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hfp n GLY 82 N -0.53 1.74 0.00 -0.02 0.00 -0.74 -2.32 105.19 103.32 3hfp n GLY 82 Ca 0.00 -0.46 0.14 0.00 0.00 0.00 0.00 46.02 45.71 3hfp n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hfp n PRO 83 N 12.89 0.69 -3.67 1.61 -0.04 -1.26 -3.39 135.00 141.82 3hfp n PRO 83 Ca 0.00 0.01 -0.35 0.00 -0.04 0.00 0.00 63.50 63.12 3hfp n PRO 83 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 3hfp n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hfp s LEU 84 N -2.26 4.38 -0.16 1.53 1.43 -0.98 -5.09 118.68 117.52 3hfp s LEU 84 Ca 0.36 0.68 -0.03 0.00 -1.03 0.00 0.00 54.13 54.12 3hfp s LEU 84 Cb 0.20 -2.74 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 3hfp s LEU 84 CO 0.38 0.24 -0.05 -1.81 0.23 0.00 0.00 176.35 175.34 3hfp s ASP 85 N -1.62 4.57 0.28 2.29 1.11 -1.26 -4.05 116.67 117.99 3hfp s ASP 85 Ca 0.28 -0.21 0.00 0.00 0.18 0.00 0.00 52.55 52.80 3hfp s ASP 85 Cb -0.14 -1.75 0.00 0.00 1.07 0.00 0.00 42.92 42.11 3hfp s ASP 85 CO 0.16 0.13 0.00 0.61 1.18 0.00 0.00 175.17 177.25 3hfp n GLY 86 N 3.77 -1.11 3.46 0.21 0.00 -1.26 -4.92 105.19 105.34 3hfp n GLY 86 Ca -0.18 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 3hfp n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hfp s THR 87 N 0.00 3.30 -0.14 2.61 2.01 -1.26 -4.60 115.64 117.56 3hfp s THR 87 Ca 0.00 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.41 3hfp s THR 87 Cb 0.00 -2.36 -0.00 0.00 0.01 0.00 0.00 72.50 70.15 3hfp s THR 87 CO 0.00 0.55 -0.17 -0.31 -0.69 0.00 0.00 174.62 174.00 3hfp s TYR 88 N -0.19 2.73 -0.01 4.92 2.02 -0.88 -1.21 117.35 124.73 3hfp s TYR 88 Ca 0.01 -1.00 -0.15 0.00 -0.37 0.00 0.00 57.07 55.56 3hfp s TYR 88 Cb -0.13 -1.84 -0.06 0.00 -0.40 0.00 0.00 41.96 39.53 3hfp s TYR 88 CO 0.03 -0.43 0.41 1.03 -1.57 0.00 0.00 175.55 175.02 3hfp s ARG 89 N 0.64 3.97 -0.02 -0.62 0.52 0.05 -0.94 118.95 122.55 3hfp s ARG 89 Ca -0.09 0.41 -0.30 0.00 -0.52 0.00 0.00 55.73 55.23 3hfp s ARG 89 Cb -0.16 -3.25 -0.06 0.00 0.52 0.00 0.00 34.95 32.00 3hfp s ARG 89 CO 0.02 0.63 1.66 -1.17 0.02 0.00 0.00 175.30 176.46 3hfp s LEU 90 N -0.87 4.34 -0.21 2.53 2.96 -0.38 -0.99 118.68 126.06 3hfp s LEU 90 Ca 0.24 2.30 -0.06 0.00 -0.22 0.00 0.00 54.13 56.39 3hfp s LEU 90 Cb -0.16 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 42.88 3hfp s LEU 90 CO 0.13 -0.91 -0.24 0.00 -1.32 0.00 0.00 176.35 174.01 3hfp n ILE 91 N 5.30 1.16 -3.75 6.68 3.06 -0.53 -4.46 119.36 126.81 3hfp n ILE 91 Ca 0.17 -0.35 -0.10 0.00 -2.50 0.00 0.00 62.75 59.97 3hfp n ILE 91 Cb 0.42 -1.56 -0.05 0.00 0.54 0.00 0.00 39.64 38.99 3hfp n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3hfp s GLN 92 N -2.39 1.21 0.16 9.51 1.03 -1.23 -0.02 119.66 127.92 3hfp s GLN 92 Ca -0.29 -0.87 0.06 0.00 0.04 0.00 0.00 55.36 54.30 3hfp s GLN 92 Cb 0.10 0.47 -0.04 0.00 0.03 0.00 0.00 33.01 33.56 3hfp s GLN 92 CO 0.41 -0.49 -0.12 -0.59 -2.54 0.00 0.00 175.29 171.96 3hfp s PHE 93 N -3.87 1.42 0.25 9.60 -0.12 -0.49 -0.61 117.98 124.17 3hfp s PHE 93 Ca 0.08 -0.65 -0.22 0.00 -0.05 0.00 0.00 56.93 56.10 3hfp s PHE 93 Cb 0.01 -0.71 0.04 0.00 -0.63 0.00 0.00 43.02 41.73 3hfp s PHE 93 CO -0.06 0.18 0.82 -3.38 -0.05 0.00 0.00 175.22 172.73 3hfp s HIS 94 N -2.89 -0.11 0.31 3.49 -3.43 -0.51 -0.82 115.29 111.32 3hfp s HIS 94 Ca 0.16 -0.33 0.08 0.00 -0.80 0.00 0.00 55.06 54.18 3hfp s HIS 94 Cb -0.00 0.71 -0.06 0.00 -1.43 0.00 0.00 32.58 31.79 3hfp s HIS 94 CO 0.03 -1.14 -0.08 -0.06 -2.00 0.00 0.00 174.74 171.48 3hfp s PHE 95 N -3.41 2.16 -0.03 0.38 0.40 -1.26 0.45 117.98 116.67 3hfp s PHE 95 Ca 0.13 -0.59 0.04 0.00 -0.60 0.00 0.00 56.93 55.91 3hfp s PHE 95 Cb -0.04 -1.21 -0.01 0.00 0.51 0.00 0.00 43.02 42.27 3hfp s PHE 95 CO 0.06 0.44 -0.16 -1.01 0.70 0.00 0.00 175.22 175.25 3hfp s HIS 96 N -2.81 1.51 0.30 0.36 3.76 0.55 -4.80 115.29 114.15 3hfp s HIS 96 Ca 0.31 -0.36 -0.08 0.00 -0.15 0.00 0.00 55.06 54.78 3hfp s HIS 96 Cb 0.03 -1.00 0.00 0.00 1.11 0.00 0.00 32.58 32.72 3hfp s HIS 96 CO 0.14 -0.09 0.48 1.67 -0.85 0.00 0.00 174.74 176.09 3hfp s TRP 97 N -0.15 0.68 0.38 1.40 -2.14 -1.23 -0.00 118.94 117.88 3hfp s TRP 97 Ca 0.01 -1.01 0.02 0.00 2.66 0.00 0.00 56.10 57.78 3hfp s TRP 97 Cb -0.09 0.09 0.02 0.00 -3.10 0.00 0.00 33.47 30.39 3hfp s TRP 97 CO 0.01 -1.09 0.14 0.41 -2.66 0.00 0.00 176.95 173.76 3hfp n GLY 98 N -0.47 3.32 0.14 3.67 0.00 -1.20 -1.53 105.19 109.12 3hfp n GLY 98 Ca -0.01 -2.30 0.04 0.00 0.00 0.00 0.00 46.02 43.76 3hfp n GLY 98 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hfp h SER 99 N 0.68 0.00 -3.74 1.61 4.64 -1.90 -3.39 113.55 111.46 3hfp h SER 99 Ca -0.28 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.67 3hfp h SER 99 Cb 0.91 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.86 3hfp h SER 99 CO 0.45 0.39 -0.70 -0.76 -0.87 0.00 0.00 176.83 175.34 3hfp s LEU 100 N -6.17 2.46 0.41 5.97 2.01 -1.26 -5.06 118.68 117.04 3hfp s LEU 100 Ca 0.03 -1.07 0.16 0.00 0.01 0.00 0.00 54.13 53.26 3hfp s LEU 100 Cb 0.08 -0.41 0.87 0.00 0.01 0.00 0.00 46.19 46.74 3hfp s LEU 100 CO 0.75 -0.34 1.88 0.44 1.01 0.00 0.00 176.35 180.10 3hfp h ASP 101 N 2.65 0.00 0.00 2.29 3.45 -1.90 -3.11 116.42 119.80 3hfp h ASP 101 Ca -0.37 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.09 3hfp h ASP 101 Cb 1.21 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.98 3hfp h ASP 101 CO 0.64 0.30 0.00 0.61 -1.57 0.00 0.00 179.24 179.22 3hfp n GLY 102 N -0.52 -0.25 3.47 2.75 0.00 -1.26 -3.20 105.19 106.18 3hfp n GLY 102 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 3hfp n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hfp s GLN 103 N -1.72 1.08 0.00 1.61 -2.07 -1.17 -4.71 119.66 112.67 3hfp s GLN 103 Ca 0.00 -0.29 0.00 0.00 -1.82 0.00 0.00 55.36 53.25 3hfp s GLN 103 Cb 0.00 0.50 0.00 0.00 -1.09 0.00 0.00 33.01 32.42 3hfp s GLN 103 CO 0.00 -0.45 0.00 0.41 -1.32 0.00 0.00 175.29 173.93 3hfp n GLY 104 N -0.12 3.81 3.74 2.60 0.00 -1.15 -3.23 105.19 110.84 3hfp n GLY 104 Ca -0.14 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 3hfp n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hfp s SER 105 N 0.00 4.39 -0.21 1.61 1.04 -0.32 -3.47 113.70 116.75 3hfp s SER 105 Ca 0.00 2.14 -0.16 0.00 0.48 0.00 0.00 55.95 58.41 3hfp s SER 105 Cb 0.00 -2.56 -0.11 0.00 0.10 0.00 0.00 66.02 63.45 3hfp s SER 105 CO 0.00 -2.12 -0.13 -0.62 0.98 0.00 0.00 173.24 171.35 3hfp n GLU 106 N -2.91 0.54 -2.21 4.02 1.02 -1.26 -4.86 120.64 114.98 3hfp n GLU 106 Ca 0.12 0.42 -0.34 0.00 -0.02 0.00 0.00 57.16 57.34 3hfp n GLU 106 Cb 0.51 -1.61 -0.00 0.00 -0.02 0.00 0.00 31.44 30.32 3hfp n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3hfp s HIS 107 N -2.47 2.88 0.09 -0.32 3.76 -1.26 -4.14 115.29 113.82 3hfp s HIS 107 Ca -0.28 1.54 0.08 0.00 -0.15 0.00 0.00 55.06 56.25 3hfp s HIS 107 Cb 0.07 -3.10 -0.03 0.00 1.11 0.00 0.00 32.58 30.63 3hfp s HIS 107 CO 0.45 -1.19 -0.22 0.95 -0.85 0.00 0.00 174.74 173.88 3hfp s THR 108 N -2.16 1.76 -0.32 1.30 -4.23 -1.19 -4.71 115.64 106.10 3hfp s THR 108 Ca 0.67 -1.46 -0.04 0.00 -1.18 0.00 0.00 61.69 59.68 3hfp s THR 108 Cb -0.18 -1.58 0.04 0.00 1.34 0.00 0.00 72.50 72.13 3hfp s THR 108 CO 0.30 0.05 0.05 -0.69 -0.54 0.00 0.00 174.62 173.79 3hfp s VAL 109 N -1.03 3.39 -1.43 2.29 1.01 -0.97 0.38 120.40 124.04 3hfp s VAL 109 Ca 0.08 -1.23 -0.08 0.00 0.00 0.00 0.00 61.98 60.75 3hfp s VAL 109 Cb -0.10 -2.92 0.05 0.00 0.00 0.00 0.00 36.38 33.41 3hfp s VAL 109 CO 0.04 -0.13 0.87 0.47 0.00 0.00 0.00 175.10 176.35 3hfp n ASP 110 N 4.72 -3.29 0.00 3.32 10.43 0.12 -1.55 116.55 130.30 3hfp n ASP 110 Ca -0.13 -0.79 0.00 0.00 2.57 0.00 0.00 54.79 56.44 3hfp n ASP 110 Cb 0.44 -3.98 0.00 0.00 1.84 0.00 0.00 41.12 39.42 3hfp n ASP 110 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3hfp n LYS 111 N -4.53 0.00 -2.24 -1.24 4.76 -1.26 -5.00 118.16 108.66 3hfp n LYS 111 Ca -0.11 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.91 3hfp n LYS 111 Cb 0.59 -3.43 -0.03 0.00 -1.84 0.00 0.00 35.03 30.33 3hfp n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3hfp s LYS 112 N -0.44 4.26 -0.25 1.97 2.20 -0.59 -5.01 119.74 121.88 3hfp s LYS 112 Ca 0.00 1.93 -0.14 0.00 -0.36 0.00 0.00 55.97 57.40 3hfp s LYS 112 Cb 0.00 -3.67 -0.04 0.00 -1.51 0.00 0.00 37.83 32.61 3hfp s LYS 112 CO 0.00 -0.63 0.33 0.15 -0.36 0.00 0.00 175.35 174.84 3hfp s LYS 113 N 2.82 4.06 0.72 4.03 1.02 -1.26 -2.29 119.74 128.84 3hfp s LYS 113 Ca 0.63 0.01 -0.11 0.00 0.02 0.00 0.00 55.97 56.52 3hfp s LYS 113 Cb -0.30 -3.61 0.02 0.00 -0.52 0.00 0.00 37.83 33.43 3hfp s LYS 113 CO 0.25 -0.15 1.11 0.71 -0.92 0.00 0.00 175.35 176.34 3hfp s TYR 114 N 1.68 3.27 0.29 3.18 1.51 -1.26 -4.39 117.35 121.63 3hfp s TYR 114 Ca 0.14 1.00 0.20 0.00 -1.01 0.00 0.00 57.07 57.40 3hfp s TYR 114 Cb -0.15 -3.13 0.93 0.00 -0.11 0.00 0.00 41.96 39.50 3hfp s TYR 114 CO 0.09 -1.26 1.86 0.00 -1.11 0.00 0.00 175.55 175.13 3hfp h ALA 115 N -0.71 1.19 -2.97 3.71 0.00 -1.30 -0.81 119.26 118.36 3hfp h ALA 115 Ca -0.45 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.23 3hfp h ALA 115 Cb 1.26 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 3hfp h ALA 115 CO 0.64 0.36 0.17 0.00 0.00 0.00 0.00 179.25 180.42 3hfp s ALA 116 N -3.95 -0.96 -0.10 0.00 0.00 -1.01 -3.44 121.76 112.29 3hfp s ALA 116 Ca -0.02 -0.48 -0.04 0.00 0.00 0.00 0.00 51.96 51.42 3hfp s ALA 116 Cb 0.12 0.87 0.05 0.00 0.00 0.00 0.00 23.12 24.16 3hfp s ALA 116 CO 0.66 -1.00 0.22 -2.00 0.00 0.00 0.00 175.76 173.64 3hfp s GLU 117 N -3.71 0.14 -0.16 0.00 2.12 1.00 -1.18 118.70 116.91 3hfp s GLU 117 Ca 0.14 0.57 -0.16 0.00 0.36 0.00 0.00 54.97 55.88 3hfp s GLU 117 Cb -0.05 -0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.17 3hfp s GLU 117 CO 0.08 -0.22 0.38 -1.17 -0.54 0.00 0.00 175.26 173.79 3hfp s LEU 118 N 1.72 4.23 -0.22 2.70 2.96 0.25 -0.33 118.68 129.98 3hfp s LEU 118 Ca -0.05 0.61 -0.02 0.00 -0.22 0.00 0.00 54.13 54.45 3hfp s LEU 118 Cb -0.11 -2.51 0.01 0.00 0.50 0.00 0.00 46.19 44.07 3hfp s LEU 118 CO -0.08 0.02 -0.08 -1.00 -1.32 0.00 0.00 176.35 173.89 3hfp s HIS 119 N 0.76 2.96 -0.37 5.38 3.76 0.17 -1.59 115.29 126.37 3hfp s HIS 119 Ca 0.20 -1.27 -0.11 0.00 -0.15 0.00 0.00 55.06 53.73 3hfp s HIS 119 Cb -0.14 -2.06 0.02 0.00 1.11 0.00 0.00 32.58 31.52 3hfp s HIS 119 CO 0.07 -0.66 0.20 -0.51 -0.85 0.00 0.00 174.74 172.99 3hfp s LEU 120 N 1.39 4.65 -0.20 0.89 1.43 -0.93 -1.43 118.68 124.48 3hfp s LEU 120 Ca 0.04 -0.95 -0.11 0.00 -1.03 0.00 0.00 54.13 52.08 3hfp s LEU 120 Cb -0.15 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 44.01 3hfp s LEU 120 CO -0.06 -0.37 0.18 -0.69 0.23 0.00 0.00 176.35 175.65 3hfp s VAL 121 N 1.56 5.38 0.04 -1.59 1.01 0.22 -1.60 120.40 125.41 3hfp s VAL 121 Ca 0.02 0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.33 3hfp s VAL 121 Cb -0.19 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 3hfp s VAL 121 CO 0.07 0.41 -0.13 -1.00 0.00 0.00 0.00 175.10 174.44 3hfp s HIS 122 N 0.49 1.17 -0.03 5.22 3.76 -0.68 -1.45 115.29 123.77 3hfp s HIS 122 Ca 0.10 -0.36 0.07 0.00 -0.15 0.00 0.00 55.06 54.73 3hfp s HIS 122 Cb -0.12 -0.69 -0.02 0.00 1.11 0.00 0.00 32.58 32.86 3hfp s HIS 122 CO 0.00 0.03 -0.25 1.67 -0.85 0.00 0.00 174.74 175.34 3hfp s TRP 123 N -0.88 2.24 -0.22 1.40 1.48 -0.16 -1.27 118.94 121.52 3hfp s TRP 123 Ca 0.01 -0.47 -0.28 0.00 -1.06 0.00 0.00 56.10 54.30 3hfp s TRP 123 Cb -0.08 -1.45 -0.05 0.00 -1.16 0.00 0.00 33.47 30.73 3hfp s TRP 123 CO 0.01 -0.07 2.23 -1.71 -4.06 0.00 0.00 176.95 173.35 3hfp n ASN 124 N 2.56 3.23 0.05 -2.66 2.85 0.66 -0.77 115.26 121.17 3hfp n ASN 124 Ca -0.16 0.20 0.15 0.00 -0.11 0.00 0.00 54.58 54.66 3hfp n ASN 124 Cb 0.52 -1.55 0.63 0.00 1.24 0.00 0.00 39.78 40.62 3hfp n ASN 124 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 3hfp h THR 125 N 7.15 0.84 0.00 -0.44 1.35 -1.50 -1.95 112.91 118.36 3hfp h THR 125 Ca -0.41 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 3hfp h THR 125 Cb 1.24 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3hfp h THR 125 CO 0.96 0.02 0.00 2.29 -0.25 0.00 0.00 175.52 178.54 3hfp n LYS 127 N -4.44 0.07 0.00 4.72 2.85 -1.26 -3.89 118.16 116.21 3hfp n LYS 127 Ca 0.06 0.26 0.12 0.00 -1.05 0.00 0.00 58.31 57.71 3hfp n LYS 127 Cb 0.42 -1.50 0.20 0.00 -0.65 0.00 0.00 35.03 33.50 3hfp n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3hfp n TYR 128 N -1.32 0.00 0.00 5.58 0.53 -0.73 -5.00 117.16 116.21 3hfp n TYR 128 Ca 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.91 3hfp n TYR 128 Cb 0.05 -0.03 0.00 0.00 -1.03 0.00 0.00 39.34 38.33 3hfp n TYR 128 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3hfp n GLY 129 N 1.35 1.93 3.29 2.72 0.00 -1.25 -4.48 105.19 108.74 3hfp n GLY 129 Ca 0.12 -0.23 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 3hfp n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3hfp s ASP 130 N 0.00 1.28 0.08 1.61 1.47 -1.26 -5.03 116.67 114.83 3hfp s ASP 130 Ca 0.00 -1.65 -0.17 0.00 1.18 0.00 0.00 52.55 51.90 3hfp s ASP 130 Cb 0.00 0.53 -0.09 0.00 -0.34 0.00 0.00 42.92 43.02 3hfp s ASP 130 CO 0.00 -1.04 1.45 0.15 0.68 0.00 0.00 175.17 176.42 3hfp h PHE 131 N 2.24 0.63 -0.51 2.11 3.04 -1.95 -2.64 116.94 119.86 3hfp h PHE 131 Ca -0.27 -0.15 0.07 0.00 3.98 0.00 0.00 57.97 61.59 3hfp h PHE 131 Cb 1.24 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 39.57 3hfp h PHE 131 CO 1.40 0.79 0.34 0.78 -2.02 0.00 0.00 178.31 179.60 3hfp h GLY 132 N 0.28 0.53 1.50 2.40 0.00 -1.97 -1.46 103.07 104.35 3hfp h GLY 132 Ca 0.06 -0.17 -0.29 0.00 0.00 0.00 0.00 47.33 46.93 3hfp h GLY 132 CO 0.04 0.13 -1.34 0.50 0.00 0.00 0.00 176.54 175.86 3hfp h LYS 133 N 0.42 0.28 -0.47 4.80 1.79 -1.81 -3.34 116.57 118.25 3hfp h LYS 133 Ca 0.23 -0.48 -0.06 0.00 -2.18 0.00 0.00 60.65 58.15 3hfp h LYS 133 Cb 0.35 0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 31.16 3hfp h LYS 133 CO -0.06 1.20 0.06 0.00 -1.08 0.00 0.00 179.45 179.57 3hfp h ALA 134 N 0.53 1.22 0.00 3.86 0.00 -1.13 -2.44 119.26 121.30 3hfp h ALA 134 Ca -0.17 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3hfp h ALA 134 Cb 2.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.60 3hfp h ALA 134 CO 0.20 0.52 0.00 1.33 0.00 0.00 0.00 179.25 181.30 3hfp n VAL 135 N -4.26 0.00 -0.45 0.00 0.24 -0.58 -1.96 118.33 111.32 3hfp n VAL 135 Ca 0.03 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.39 3hfp n VAL 135 Cb 0.25 -0.49 0.18 0.00 -1.47 0.00 0.00 33.84 32.31 3hfp n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hfp n GLN 136 N -0.73 2.89 -4.49 7.34 6.02 -0.92 -4.91 117.38 122.59 3hfp n GLN 136 Ca 0.05 -2.30 -0.21 0.00 -0.01 0.00 0.00 57.00 54.53 3hfp n GLN 136 Cb 0.02 -1.45 -0.15 0.00 1.02 0.00 0.00 30.24 29.68 3hfp n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3hfp s GLN 137 N -1.62 1.00 0.40 -1.09 -1.52 -0.83 -5.05 119.66 110.95 3hfp s GLN 137 Ca 0.29 -0.39 0.10 0.00 -1.95 0.00 0.00 55.36 53.41 3hfp s GLN 137 Cb 0.19 -0.95 0.84 0.00 -0.22 0.00 0.00 33.01 32.88 3hfp s GLN 137 CO 0.13 0.20 1.95 -1.00 -0.25 0.00 0.00 175.29 176.32 3hfp h PRO 138 N 6.08 0.23 -0.71 2.91 0.13 -1.85 -2.08 132.00 136.70 3hfp h PRO 138 Ca -0.33 -0.04 -0.30 0.00 -0.87 0.00 0.00 66.00 64.46 3hfp h PRO 138 Cb 1.17 -0.03 -0.18 0.00 0.13 0.00 0.00 31.00 32.09 3hfp h PRO 138 CO 0.49 0.33 0.32 -0.40 -0.23 0.00 0.00 178.00 178.51 3hfp n ASP 139 N -4.31 3.86 -0.07 1.44 3.85 -1.26 -4.10 116.55 115.95 3hfp n ASP 139 Ca -0.01 -3.47 -0.13 0.00 -0.71 0.00 0.00 54.79 50.47 3hfp n ASP 139 Cb 0.24 -0.74 -0.06 0.00 -1.35 0.00 0.00 41.12 39.21 3hfp n ASP 139 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 3hfp h GLY 140 N 1.64 0.55 -3.70 6.12 0.00 -1.23 -3.43 103.07 103.01 3hfp h GLY 140 Ca 0.37 -0.55 -0.65 0.00 0.00 0.00 0.00 47.33 46.50 3hfp h GLY 140 CO 0.76 0.50 -0.77 1.08 0.00 0.00 0.00 176.54 178.11 3hfp s LEU 141 N -9.08 2.80 -0.12 3.11 1.43 0.75 -0.25 118.68 117.32 3hfp s LEU 141 Ca -0.13 -0.60 -0.00 0.00 -1.03 0.00 0.00 54.13 52.36 3hfp s LEU 141 Cb 0.07 -1.56 0.03 0.00 0.03 0.00 0.00 46.19 44.76 3hfp s LEU 141 CO 0.78 0.14 -0.09 0.00 0.23 0.00 0.00 176.35 177.41 3hfp s ALA 142 N -1.46 1.44 -0.12 4.21 0.00 -0.40 -0.67 121.76 124.76 3hfp s ALA 142 Ca 0.21 -0.63 -0.02 0.00 0.00 0.00 0.00 51.96 51.53 3hfp s ALA 142 Cb -0.09 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 3hfp s ALA 142 CO 0.12 -0.43 -0.05 0.08 0.00 0.00 0.00 175.76 175.48 3hfp s VAL 143 N 1.66 3.77 -0.40 0.00 1.01 -0.51 -1.69 120.40 124.23 3hfp s VAL 143 Ca 0.05 -0.42 -0.14 0.00 0.00 0.00 0.00 61.98 61.47 3hfp s VAL 143 Cb -0.13 -2.61 0.03 0.00 0.00 0.00 0.00 36.38 33.68 3hfp s VAL 143 CO -0.09 0.54 0.28 -0.22 0.00 0.00 0.00 175.10 175.61 3hfp s LEU 144 N -0.08 5.04 -0.14 3.92 0.20 -0.62 -0.51 118.68 126.47 3hfp s LEU 144 Ca 0.01 -0.99 -0.10 0.00 0.69 0.00 0.00 54.13 53.74 3hfp s LEU 144 Cb -0.13 -2.11 -0.05 0.00 -0.43 0.00 0.00 46.19 43.47 3hfp s LEU 144 CO 0.03 -0.45 0.20 -0.83 -0.29 0.00 0.00 176.35 175.00 3hfp s GLY 145 N 1.73 2.16 -0.06 7.98 0.00 0.24 -2.20 107.32 117.17 3hfp s GLY 145 Ca 0.04 -0.58 0.00 0.00 0.00 0.00 0.00 44.72 44.18 3hfp s GLY 145 CO 0.08 0.03 -0.03 -0.42 0.00 0.00 0.00 173.10 172.76 3hfp s ILE 146 N -0.22 0.55 0.37 0.90 1.01 -0.62 -0.87 121.20 122.32 3hfp s ILE 146 Ca 0.14 -0.06 -0.22 0.00 0.00 0.00 0.00 60.65 60.50 3hfp s ILE 146 Cb -0.12 -0.62 -0.10 0.00 0.01 0.00 0.00 42.46 41.62 3hfp s ILE 146 CO 0.03 0.26 0.92 -0.36 0.00 0.00 0.00 174.94 175.79 3hfp s PHE 147 N 1.40 3.48 -0.10 3.97 0.08 -1.26 -0.58 117.98 124.96 3hfp s PHE 147 Ca -0.03 1.63 0.03 0.00 0.12 0.00 0.00 56.93 58.68 3hfp s PHE 147 Cb -0.13 -2.84 -0.01 0.00 -0.57 0.00 0.00 43.02 39.47 3hfp s PHE 147 CO -0.03 0.05 -0.20 -0.51 -0.10 0.00 0.00 175.22 174.44 3hfp s LEU 148 N -2.67 2.34 0.21 -0.37 1.02 -0.32 -1.18 118.68 117.72 3hfp s LEU 148 Ca 0.56 -0.46 0.11 0.00 0.02 0.00 0.00 54.13 54.36 3hfp s LEU 148 Cb -0.13 -1.49 -0.04 0.00 0.02 0.00 0.00 46.19 44.55 3hfp s LEU 148 CO 0.18 0.18 -0.18 -1.59 0.02 0.00 0.00 176.35 174.96 3hfp s LYS 149 N 0.25 1.75 -0.07 1.70 -2.85 -0.05 -1.75 119.74 118.72 3hfp s LYS 149 Ca -0.13 -1.50 -0.26 0.00 -1.00 0.00 0.00 55.97 53.07 3hfp s LYS 149 Cb -0.17 -1.93 -0.03 0.00 -2.06 0.00 0.00 37.83 33.64 3hfp s LYS 149 CO 0.07 0.39 0.83 0.08 0.10 0.00 0.00 175.35 176.82 3hfp s VAL 150 N -1.90 4.94 0.00 1.79 1.01 -1.26 0.08 120.40 125.06 3hfp s VAL 150 Ca 0.24 1.70 0.00 0.00 0.00 0.00 0.00 61.98 63.93 3hfp s VAL 150 Cb -0.07 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.15 3hfp s VAL 150 CO 0.13 0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.00 3hfp n GLY 151 N 3.12 0.59 3.84 4.51 0.00 0.10 -4.84 105.19 112.51 3hfp n GLY 151 Ca 0.03 0.47 -0.33 0.00 0.00 0.00 0.00 46.02 46.19 3hfp n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hfp s SER 152 N 2.00 6.82 0.53 1.61 1.04 -1.26 -4.19 113.70 120.24 3hfp s SER 152 Ca 0.00 1.44 -0.22 0.00 0.48 0.00 0.00 55.95 57.64 3hfp s SER 152 Cb 0.00 -2.44 -0.06 0.00 0.10 0.00 0.00 66.02 63.63 3hfp s SER 152 CO 0.00 -0.29 1.36 0.00 0.98 0.00 0.00 173.24 175.29 3hfp n ALA 153 N -0.56 1.63 -2.67 5.32 0.00 -1.26 -2.83 120.51 120.13 3hfp n ALA 153 Ca 0.05 0.15 -0.43 0.00 0.00 0.00 0.00 53.44 53.21 3hfp n ALA 153 Cb 0.54 -2.35 -0.06 0.00 0.00 0.00 0.00 19.45 17.57 3hfp n ALA 153 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3hfp s LYS 154 N -2.78 3.19 0.20 0.00 2.47 -1.24 -4.76 119.74 116.84 3hfp s LYS 154 Ca 0.69 -0.65 -0.12 0.00 -1.56 0.00 0.00 55.97 54.34 3hfp s LYS 154 Cb -0.43 -4.04 0.26 0.00 -1.46 0.00 0.00 37.83 32.16 3hfp s LYS 154 CO 0.51 -1.18 1.67 -1.35 0.16 0.00 0.00 175.35 175.16 3hfp h PRO 155 N 8.99 0.12 0.00 4.03 0.11 -1.92 -2.68 132.00 140.66 3hfp h PRO 155 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3hfp h PRO 155 Cb 1.09 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3hfp h PRO 155 CO 0.95 0.08 0.00 0.41 -0.21 0.00 0.00 178.00 179.23 3hfp n GLY 156 N -1.35 -0.95 0.15 -0.55 0.00 -1.24 -2.06 105.19 99.20 3hfp n GLY 156 Ca 0.08 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.16 3hfp n GLY 156 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hfp h LEU 157 N 0.00 0.00 -1.26 0.99 5.85 -1.67 -3.42 115.31 115.79 3hfp h LEU 157 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3hfp h LEU 157 Cb 0.22 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3hfp h LEU 157 CO 0.00 0.15 0.07 -0.61 -0.34 0.00 0.00 178.44 177.71 3hfp h GLN 158 N 0.00 0.57 -0.02 1.25 5.75 -1.45 -1.39 115.11 119.82 3hfp h GLN 158 Ca -0.02 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.35 3hfp h GLN 158 Cb 1.14 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.59 3hfp h GLN 158 CO 0.02 0.55 -0.10 0.87 -2.65 0.00 0.00 178.83 177.51 3hfp h LYS 159 N 0.56 0.03 -0.00 1.69 1.57 -1.81 -0.59 116.57 118.02 3hfp h LYS 159 Ca 0.13 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3hfp h LYS 159 Cb 0.25 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3hfp h LYS 159 CO 0.00 0.13 -0.01 0.28 -0.57 0.00 0.00 179.45 179.28 3hfp h VAL 160 N 0.03 1.53 -0.86 0.50 2.07 -1.58 -3.15 116.25 114.80 3hfp h VAL 160 Ca 0.01 -1.59 0.12 0.00 0.82 0.00 0.00 66.70 66.06 3hfp h VAL 160 Cb 0.20 2.60 -0.08 0.00 -1.52 0.00 0.00 31.29 32.49 3hfp h VAL 160 CO 0.01 0.41 0.48 0.58 0.02 0.00 0.00 177.57 179.07 3hfp h VAL 161 N -0.65 0.83 0.00 2.57 2.07 -1.00 -1.99 116.25 118.07 3hfp h VAL 161 Ca -0.00 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 3hfp h VAL 161 Cb 0.68 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3hfp h VAL 161 CO 0.00 0.13 -0.13 0.44 0.02 0.00 0.00 177.57 178.04 3hfp h ASP 162 N 0.74 0.00 0.74 0.57 3.32 -1.19 -3.06 116.42 117.54 3hfp h ASP 162 Ca 0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 3hfp h ASP 162 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3hfp h ASP 162 CO -0.30 0.13 -0.65 0.55 -1.72 0.00 0.00 179.24 177.25 3hfp n VAL 163 N -3.54 0.26 0.29 -1.35 3.14 -0.76 -4.40 118.33 111.97 3hfp n VAL 163 Ca -0.01 -0.21 0.17 0.00 -2.96 0.00 0.00 64.34 61.32 3hfp n VAL 163 Cb 0.27 -0.02 0.83 0.00 -1.06 0.00 0.00 33.84 33.86 3hfp n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3hfp h LEU 164 N 0.00 0.00 -1.87 6.55 3.38 -1.42 -1.60 115.31 120.35 3hfp h LEU 164 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3hfp h LEU 164 Cb 0.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 3hfp h LEU 164 CO 0.00 0.05 -0.13 0.44 0.09 0.00 0.00 178.44 178.89 3hfp h ASP 165 N 0.00 0.00 0.17 -0.43 3.32 -1.80 -2.80 116.42 114.88 3hfp h ASP 165 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hfp h ASP 165 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3hfp h ASP 165 CO 0.01 0.13 -0.25 -1.54 -1.72 0.00 0.00 179.24 175.87 3hfp n SER 166 N -3.97 1.24 -2.59 6.45 3.41 -0.60 -4.05 113.62 113.52 3hfp n SER 166 Ca -0.02 -1.06 -0.08 0.00 -0.26 0.00 0.00 58.87 57.45 3hfp n SER 166 Cb 0.22 0.16 0.04 0.00 -0.26 0.00 0.00 64.21 64.37 3hfp n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3hfp n ILE 167 N -0.43 1.65 -0.30 -1.33 -5.35 -1.06 -4.64 119.36 107.90 3hfp n ILE 167 Ca 0.13 -3.34 -0.02 0.00 -0.27 0.00 0.00 62.75 59.25 3hfp n ILE 167 Cb 0.37 0.53 0.10 0.00 -1.74 0.00 0.00 39.64 38.90 3hfp n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3hfp h LYS 168 N 2.49 0.98 -6.45 6.28 3.64 -1.69 -3.43 116.57 118.40 3hfp h LYS 168 Ca 0.02 -0.06 -0.63 0.00 -1.27 0.00 0.00 60.65 58.71 3hfp h LYS 168 Cb 1.34 -0.22 -0.14 0.00 -0.41 0.00 0.00 32.23 32.80 3hfp h LYS 168 CO 0.37 0.65 -0.72 0.95 -2.27 0.00 0.00 179.45 178.43 3hfp s THR 169 N -6.10 3.26 -0.33 1.00 -4.23 -1.26 0.37 115.64 108.36 3hfp s THR 169 Ca -0.13 -1.59 -0.42 0.00 -1.18 0.00 0.00 61.69 58.37 3hfp s THR 169 Cb 0.17 -2.61 -0.17 0.00 1.34 0.00 0.00 72.50 71.23 3hfp s THR 169 CO 0.79 -0.08 1.66 1.17 -0.54 0.00 0.00 174.62 177.62 3hfp n LYS 170 N 0.10 0.76 0.00 3.99 4.81 0.12 -2.16 118.16 125.78 3hfp n LYS 170 Ca -0.11 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 3hfp n LYS 170 Cb 0.55 -1.90 0.00 0.00 0.02 0.00 0.00 35.03 33.70 3hfp n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hfp n GLY 171 N 3.99 3.00 3.76 3.14 0.00 0.57 -4.43 105.19 115.23 3hfp n GLY 171 Ca 0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 3hfp n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hfp s LYS 172 N -0.64 4.65 0.01 1.61 -0.14 -0.92 -4.88 119.74 119.43 3hfp s LYS 172 Ca 0.00 1.52 -0.01 0.00 -1.36 0.00 0.00 55.97 56.12 3hfp s LYS 172 Cb 0.00 -3.04 -0.01 0.00 -1.68 0.00 0.00 37.83 33.10 3hfp s LYS 172 CO 0.00 0.31 -0.01 -1.54 -0.76 0.00 0.00 175.35 173.35 3hfp s SER 173 N -1.28 0.18 0.18 2.83 1.04 -1.26 -1.72 113.70 113.67 3hfp s SER 173 Ca 0.46 -0.40 0.09 0.00 0.48 0.00 0.00 55.95 56.58 3hfp s SER 173 Cb -0.25 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 65.93 3hfp s SER 173 CO 0.31 -0.26 -0.17 0.00 0.98 0.00 0.00 173.24 174.09 3hfp s ALA 174 N -1.24 2.08 0.40 5.32 0.00 -0.20 -4.98 121.76 123.14 3hfp s ALA 174 Ca -0.14 -1.57 -0.27 0.00 0.00 0.00 0.00 51.96 49.99 3hfp s ALA 174 Cb -0.08 -0.17 -0.10 0.00 0.00 0.00 0.00 23.12 22.77 3hfp s ALA 174 CO -0.01 0.20 1.48 -3.47 0.00 0.00 0.00 175.76 173.96 3hfp n ASP 175 N 0.05 3.71 -2.70 0.00 -0.08 -1.26 -1.23 116.55 115.03 3hfp n ASP 175 Ca -0.11 1.20 -0.05 0.00 -1.51 0.00 0.00 54.79 54.32 3hfp n ASP 175 Cb 0.58 -1.62 0.11 0.00 2.34 0.00 0.00 41.12 42.53 3hfp n ASP 175 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 3hfp n PHE 176 N 0.25 -1.53 -1.17 -0.67 7.35 -0.50 -4.71 117.46 116.48 3hfp n PHE 176 Ca 0.02 -1.96 -0.30 0.00 -0.76 0.00 0.00 57.45 54.45 3hfp n PHE 176 Cb 0.40 1.18 0.12 0.00 0.35 0.00 0.00 39.48 41.53 3hfp n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3hfp s THR 177 N -0.62 2.93 -1.54 -2.13 -4.23 -1.20 -3.67 115.64 105.18 3hfp s THR 177 Ca 0.18 0.30 -0.13 0.00 -1.18 0.00 0.00 61.69 60.86 3hfp s THR 177 Cb 0.42 -2.74 0.09 0.00 1.34 0.00 0.00 72.50 71.61 3hfp s THR 177 CO -0.09 -0.40 0.92 0.59 -0.54 0.00 0.00 174.62 175.11 3hfp n ASN 178 N -3.76 -4.20 -4.78 3.99 4.13 -1.26 -4.95 115.26 104.44 3hfp n ASN 178 Ca 0.08 -0.83 -0.37 0.00 1.68 0.00 0.00 54.58 55.15 3hfp n ASN 178 Cb 0.54 -3.69 -0.07 0.00 -1.54 0.00 0.00 39.78 35.02 3hfp n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3hfp s PHE 179 N -3.34 3.53 -0.36 3.10 5.36 -1.26 -5.03 117.98 119.97 3hfp s PHE 179 Ca 0.61 0.60 -0.11 0.00 -0.96 0.00 0.00 56.93 57.08 3hfp s PHE 179 Cb -0.31 -2.21 0.02 0.00 -0.34 0.00 0.00 43.02 40.18 3hfp s PHE 179 CO 0.85 0.43 0.19 0.34 -1.46 0.00 0.00 175.22 175.57 3hfp s ASP 180 N -0.16 5.69 0.49 6.13 3.68 -1.26 -4.39 116.67 126.86 3hfp s ASP 180 Ca 0.16 -0.91 0.32 0.00 2.13 0.00 0.00 52.55 54.25 3hfp s ASP 180 Cb -0.13 -2.02 1.44 0.00 -1.45 0.00 0.00 42.92 40.76 3hfp s ASP 180 CO 0.05 -0.35 1.96 -0.65 0.13 0.00 0.00 175.17 176.31 3hfp h PRO 181 N 8.42 0.00 -0.43 4.34 0.11 -1.94 -2.95 132.00 139.54 3hfp h PRO 181 Ca -0.27 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.97 3hfp h PRO 181 Cb 1.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3hfp h PRO 181 CO 0.66 0.00 0.41 0.00 -0.21 0.00 0.00 178.00 178.86 3hfp h ARG 182 N 0.00 0.00 0.00 1.05 3.08 -1.93 -1.09 114.38 115.49 3hfp h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hfp h ARG 182 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3hfp h ARG 182 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3hfp n GLY 183 N -1.52 -0.87 0.11 0.04 0.00 -1.11 -3.25 105.19 98.59 3hfp n GLY 183 Ca 0.08 -0.14 0.04 0.00 0.00 0.00 0.00 46.02 45.99 3hfp n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hfp n LEU 184 N -0.91 0.79 -4.83 0.99 4.77 -0.41 -3.59 117.00 113.81 3hfp n LEU 184 Ca 0.17 -0.66 -0.33 0.00 -0.03 0.00 0.00 56.01 55.16 3hfp n LEU 184 Cb 0.08 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 3hfp n LEU 184 CO 0.13 0.17 0.68 -0.76 -1.33 0.00 0.00 177.39 176.27 3hfp s LEU 185 N -1.84 3.73 0.92 2.23 1.43 -1.20 -4.92 118.68 119.03 3hfp s LEU 185 Ca 0.05 1.65 -0.13 0.00 -1.03 0.00 0.00 54.13 54.68 3hfp s LEU 185 Cb 0.06 -4.52 0.19 0.00 0.03 0.00 0.00 46.19 41.95 3hfp s LEU 185 CO 0.25 -0.58 1.26 -2.16 0.23 0.00 0.00 176.35 175.35 3hfp s PRO 186 N -3.73 0.80 0.08 1.29 0.04 -1.26 -4.99 135.00 127.23 3hfp s PRO 186 Ca 0.61 -0.58 -0.25 0.00 0.04 0.00 0.00 61.00 60.81 3hfp s PRO 186 Cb -0.11 -1.94 -0.16 0.00 0.04 0.00 0.00 34.50 32.33 3hfp s PRO 186 CO 0.25 -2.25 1.67 1.49 0.04 0.00 0.00 177.00 178.20 3hfp h GLU 187 N -1.43 -0.19 -6.14 4.56 4.81 -1.92 -3.44 114.58 110.83 3hfp h GLU 187 Ca -0.43 0.01 -0.59 0.00 -0.13 0.00 0.00 59.36 58.23 3hfp h GLU 187 Cb 1.24 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.62 3hfp h GLU 187 CO 0.37 -0.09 -0.22 0.45 -0.73 0.00 0.00 179.01 178.80 3hfp s SER 188 N -5.06 6.68 -0.24 1.04 0.15 -1.26 -5.02 113.70 109.99 3hfp s SER 188 Ca -0.14 0.84 0.14 0.00 0.70 0.00 0.00 55.95 57.49 3hfp s SER 188 Cb 0.05 -2.20 0.74 0.00 -1.71 0.00 0.00 66.02 62.90 3hfp s SER 188 CO 0.65 0.17 1.68 0.18 1.20 0.00 0.00 173.24 177.12 3hfp n LEU 189 N 0.94 5.35 -4.70 3.45 4.77 -1.26 -4.78 117.00 120.77 3hfp n LEU 189 Ca -0.08 -3.01 -0.38 0.00 -0.03 0.00 0.00 56.01 52.51 3hfp n LEU 189 Cb 0.52 -0.66 0.05 0.00 -2.33 0.00 0.00 43.42 41.00 3hfp n LEU 189 CO 0.42 0.67 0.83 0.47 -1.33 0.00 0.00 177.39 178.46 3hfp n ASP 190 N 0.22 2.01 -3.58 -1.43 10.43 -1.26 -4.95 116.55 117.99 3hfp n ASP 190 Ca 0.28 0.91 -0.14 0.00 2.57 0.00 0.00 54.79 58.42 3hfp n ASP 190 Cb 1.16 -1.51 -0.06 0.00 1.84 0.00 0.00 41.12 42.54 3hfp n ASP 190 CO 0.00 0.00 0.00 -0.72 -1.07 0.00 0.00 177.20 175.41 3hfp s TYR 191 N -1.36 -0.58 0.05 1.24 -0.85 -1.26 -2.05 117.35 112.53 3hfp s TYR 191 Ca 0.74 1.18 -0.08 0.00 -0.52 0.00 0.00 57.07 58.40 3hfp s TYR 191 Cb -0.42 0.38 -0.05 0.00 0.38 0.00 0.00 41.96 42.25 3hfp s TYR 191 CO 0.47 -0.42 0.33 -1.58 -1.52 0.00 0.00 175.55 172.83 3hfp s TRP 192 N -0.58 3.57 0.01 -3.49 0.51 -0.41 -0.46 118.94 118.10 3hfp s TRP 192 Ca -0.04 0.65 0.03 0.00 -2.12 0.00 0.00 56.10 54.62 3hfp s TRP 192 Cb -0.02 -2.05 -0.01 0.00 -0.81 0.00 0.00 33.47 30.57 3hfp s TRP 192 CO 0.03 0.56 -0.11 -0.08 -0.51 0.00 0.00 176.95 176.85 3hfp s THR 193 N -1.37 0.83 0.08 2.01 -1.32 0.97 -1.18 115.64 115.66 3hfp s THR 193 Ca 0.31 -0.67 -0.21 0.00 -1.21 0.00 0.00 61.69 59.91 3hfp s THR 193 Cb -0.13 -0.74 0.05 0.00 -1.51 0.00 0.00 72.50 70.17 3hfp s THR 193 CO 0.18 0.07 0.50 -0.72 -2.21 0.00 0.00 174.62 172.45 3hfp s TYR 194 N -0.55 -0.39 -0.01 9.09 -0.85 -1.04 -0.63 117.35 122.97 3hfp s TYR 194 Ca 0.01 0.31 -0.30 0.00 -0.52 0.00 0.00 57.07 56.58 3hfp s TYR 194 Cb -0.06 0.35 -0.03 0.00 0.38 0.00 0.00 41.96 42.60 3hfp s TYR 194 CO 0.00 -0.69 1.08 -1.25 -1.52 0.00 0.00 175.55 173.17 3hfp s PRO 195 N -2.95 4.47 0.00 -3.49 0.04 -1.26 -1.35 135.00 130.46 3hfp s PRO 195 Ca -0.02 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.57 3hfp s PRO 195 Cb -0.00 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 31.08 3hfp s PRO 195 CO -0.06 -0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.18 3hfp n GLY 196 N 3.09 4.07 3.25 0.56 0.00 0.13 -4.80 105.19 111.48 3hfp n GLY 196 Ca 0.08 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 3hfp n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hfp s SER 197 N 1.69 0.13 0.43 1.61 1.04 -1.15 -1.55 113.70 115.89 3hfp s SER 197 Ca 0.00 -1.31 -0.26 0.00 0.48 0.00 0.00 55.95 54.86 3hfp s SER 197 Cb 0.00 0.40 -0.08 0.00 0.10 0.00 0.00 66.02 66.44 3hfp s SER 197 CO 0.00 -0.87 1.37 -0.76 0.98 0.00 0.00 173.24 173.96 3hfp s LEU 198 N -3.13 4.16 0.00 2.42 1.43 -0.09 -4.58 118.68 118.87 3hfp s LEU 198 Ca 0.36 2.81 0.26 0.00 -1.03 0.00 0.00 54.13 56.53 3hfp s LEU 198 Cb 0.06 -3.92 0.69 0.00 0.03 0.00 0.00 46.19 43.05 3hfp s LEU 198 CO 0.11 -1.04 1.53 0.35 0.23 0.00 0.00 176.35 177.53 3hfp n THR 199 N -0.06 0.00 -4.41 5.49 -2.24 -1.26 -4.40 114.28 107.40 3hfp n THR 199 Ca 0.04 -0.26 -0.27 0.00 -2.27 0.00 0.00 64.05 61.30 3hfp n THR 199 Cb 0.43 0.73 -0.12 0.00 -2.10 0.00 0.00 70.33 69.27 3hfp n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3hfp s THR 200 N -2.21 2.38 0.46 4.28 -4.23 -1.26 -4.69 115.64 110.37 3hfp s THR 200 Ca 0.30 -1.99 -0.22 0.00 -1.18 0.00 0.00 61.69 58.60 3hfp s THR 200 Cb 0.20 -2.13 -0.10 0.00 1.34 0.00 0.00 72.50 71.81 3hfp s THR 200 CO 0.41 -0.09 0.83 -2.65 -0.54 0.00 0.00 174.62 172.58 3hfp n PRO 201 N 0.33 0.99 -0.07 3.99 -0.02 -1.26 -1.09 135.00 137.87 3hfp n PRO 201 Ca -0.13 0.36 0.01 0.00 -2.02 0.00 0.00 63.50 61.72 3hfp n PRO 201 Cb 0.56 -1.88 0.04 0.00 -0.02 0.00 0.00 33.50 32.19 3hfp n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3hfp n PRO 202 N 0.08 1.30 -2.06 0.52 -0.04 -1.26 -5.01 135.00 128.54 3hfp n PRO 202 Ca 0.11 -0.29 -0.17 0.00 -0.04 0.00 0.00 63.50 63.11 3hfp n PRO 202 Cb 0.41 -1.39 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 3hfp n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hfp n LEU 203 N -0.07 -1.61 -4.75 1.53 4.77 -0.25 -4.88 117.00 111.73 3hfp n LEU 203 Ca 0.03 0.13 -0.41 0.00 -0.03 0.00 0.00 56.01 55.72 3hfp n LEU 203 Cb 0.24 -2.49 -0.02 0.00 -2.33 0.00 0.00 43.42 38.82 3hfp n LEU 203 CO 0.03 -0.41 1.12 -0.76 -1.33 0.00 0.00 177.39 176.04 3hfp s LEU 204 N -4.62 4.37 -1.28 2.23 1.43 -1.26 -4.37 118.68 115.17 3hfp s LEU 204 Ca 0.00 2.79 -0.06 0.00 -1.03 0.00 0.00 54.13 55.83 3hfp s LEU 204 Cb 0.00 -3.64 0.15 0.00 0.03 0.00 0.00 46.19 42.74 3hfp s LEU 204 CO 0.00 -0.75 2.18 -0.62 0.23 0.00 0.00 176.35 177.39 3hfp n GLU 205 N 1.79 4.40 -0.02 1.70 1.02 -1.26 -0.92 120.64 127.34 3hfp n GLU 205 Ca 0.05 -3.60 0.01 0.00 -0.02 0.00 0.00 57.16 53.60 3hfp n GLU 205 Cb 0.40 -2.69 0.02 0.00 -0.02 0.00 0.00 31.44 29.15 3hfp n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hfp s VAL 207 N -1.17 3.62 -0.36 0.00 1.01 -0.60 -0.18 120.40 122.73 3hfp s VAL 207 Ca 0.05 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.40 3hfp s VAL 207 Cb 0.03 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 3hfp s VAL 207 CO 0.01 0.57 0.26 -0.89 0.00 0.00 0.00 175.10 175.06 3hfp s THR 208 N -0.43 5.27 -0.14 3.92 2.01 0.16 0.18 115.64 126.62 3hfp s THR 208 Ca 0.06 -0.29 -0.18 0.00 0.31 0.00 0.00 61.69 61.59 3hfp s THR 208 Cb -0.12 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 3hfp s THR 208 CO 0.02 -0.08 0.47 0.26 -0.69 0.00 0.00 174.62 174.60 3hfp s TRP 209 N 1.74 3.48 -0.27 4.92 0.52 -0.46 -1.43 118.94 127.44 3hfp s TRP 209 Ca 0.06 0.84 0.02 0.00 0.02 0.00 0.00 56.10 57.04 3hfp s TRP 209 Cb -0.18 -2.55 0.07 0.00 -1.15 0.00 0.00 33.47 29.66 3hfp s TRP 209 CO 0.11 0.12 -0.03 0.42 0.02 0.00 0.00 176.95 177.58 3hfp s ILE 210 N 0.80 1.77 -0.28 2.03 1.01 0.33 -2.50 121.20 124.36 3hfp s ILE 210 Ca 0.25 -1.55 -0.04 0.00 0.00 0.00 0.00 60.65 59.30 3hfp s ILE 210 Cb -0.15 -2.07 0.02 0.00 0.01 0.00 0.00 42.46 40.27 3hfp s ILE 210 CO 0.10 -0.23 0.02 -0.69 0.00 0.00 0.00 174.94 174.14 3hfp s VAL 211 N 1.25 3.45 0.39 2.92 1.01 -0.32 0.81 120.40 129.90 3hfp s VAL 211 Ca -0.02 -0.90 -0.25 0.00 0.00 0.00 0.00 61.98 60.81 3hfp s VAL 211 Cb -0.19 -2.79 -0.09 0.00 0.00 0.00 0.00 36.38 33.31 3hfp s VAL 211 CO -0.08 0.10 1.12 -0.76 0.00 0.00 0.00 175.10 175.48 3hfp s LEU 212 N 1.41 4.19 0.05 3.92 1.43 -0.05 -1.28 118.68 128.35 3hfp s LEU 212 Ca 0.01 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 55.34 3hfp s LEU 212 Cb -0.17 -4.06 -0.26 0.00 0.03 0.00 0.00 46.19 41.73 3hfp s LEU 212 CO -0.01 -0.59 1.04 0.50 0.23 0.00 0.00 176.35 177.53 3hfp h LYS 213 N 2.64 0.17 -5.52 1.70 3.64 -1.75 -3.42 116.57 114.04 3hfp h LYS 213 Ca -0.48 -0.30 -0.62 0.00 -1.27 0.00 0.00 60.65 57.98 3hfp h LYS 213 Cb 1.23 0.11 -0.12 0.00 -0.41 0.00 0.00 32.23 33.04 3hfp h LYS 213 CO 0.63 1.07 0.17 -2.00 -2.27 0.00 0.00 179.45 177.04 3hfp s GLU 214 N -2.65 3.91 0.78 1.90 2.12 -1.26 -5.02 118.70 118.48 3hfp s GLU 214 Ca -0.04 0.32 -0.11 0.00 0.36 0.00 0.00 54.97 55.50 3hfp s GLU 214 Cb 0.08 -3.73 0.06 0.00 0.26 0.00 0.00 34.13 30.80 3hfp s GLU 214 CO 0.85 -0.58 1.08 -1.25 -0.54 0.00 0.00 175.26 174.83 3hfp s PRO 215 N 2.63 2.19 0.17 4.30 0.04 -1.26 -4.67 135.00 138.41 3hfp s PRO 215 Ca 0.26 0.98 -0.04 0.00 0.04 0.00 0.00 61.00 62.24 3hfp s PRO 215 Cb -0.15 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 3hfp s PRO 215 CO 0.12 -1.63 0.40 0.96 0.04 0.00 0.00 177.00 176.88 3hfp s ILE 216 N -2.97 5.16 -0.02 0.56 -4.36 -0.32 -4.86 121.20 114.39 3hfp s ILE 216 Ca 0.61 -0.05 -0.01 0.00 -0.26 0.00 0.00 60.65 60.94 3hfp s ILE 216 Cb -0.16 -3.66 -0.04 0.00 1.25 0.00 0.00 42.46 39.85 3hfp s ILE 216 CO 0.56 -0.05 0.10 -0.94 0.24 0.00 0.00 174.94 174.85 3hfp s SER 217 N -2.67 5.82 0.20 4.36 1.04 -1.26 -0.87 113.70 120.32 3hfp s SER 217 Ca 0.41 0.20 0.06 0.00 0.48 0.00 0.00 55.95 57.10 3hfp s SER 217 Cb -0.12 -1.71 -0.05 0.00 0.10 0.00 0.00 66.02 64.24 3hfp s SER 217 CO 0.26 0.28 -0.11 0.68 0.98 0.00 0.00 173.24 175.34 3hfp s VAL 218 N -1.19 1.49 0.65 5.02 -7.23 0.11 -3.59 120.40 115.66 3hfp s VAL 218 Ca 0.23 -2.14 -0.13 0.00 -1.81 0.00 0.00 61.98 58.13 3hfp s VAL 218 Cb -0.12 -2.06 -0.01 0.00 0.56 0.00 0.00 36.38 34.75 3hfp s VAL 218 CO 0.14 -0.58 1.05 -0.94 -0.31 0.00 0.00 175.10 174.46 3hfp s SER 219 N -3.29 5.60 0.37 4.85 1.04 -1.20 0.00 113.70 121.07 3hfp s SER 219 Ca 0.22 1.67 0.09 0.00 0.48 0.00 0.00 55.95 58.41 3hfp s SER 219 Cb 0.01 -2.51 0.82 0.00 0.10 0.00 0.00 66.02 64.45 3hfp s SER 219 CO 0.06 -1.29 1.90 -1.28 0.98 0.00 0.00 173.24 173.61 3hfp h SER 220 N -0.27 0.63 1.74 7.02 0.87 -1.93 -2.55 113.55 119.05 3hfp h SER 220 Ca -0.45 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.13 3hfp h SER 220 Cb 1.21 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 63.07 3hfp h SER 220 CO 0.57 0.35 -0.26 1.05 -0.53 0.00 0.00 176.83 178.01 3hfp h GLU 221 N 0.68 0.00 0.15 2.24 9.09 -1.95 -1.65 114.58 123.14 3hfp h GLU 221 Ca 0.40 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.80 3hfp h GLU 221 Cb 0.60 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.70 3hfp h GLU 221 CO -0.16 0.05 -0.07 1.96 0.05 0.00 0.00 179.01 180.83 3hfp h GLN 222 N 0.00 -0.20 -0.46 1.06 4.20 -1.84 -3.19 115.11 114.69 3hfp h GLN 222 Ca -0.00 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 3hfp h GLN 222 Cb 1.05 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.85 3hfp h GLN 222 CO 0.01 0.13 0.14 0.28 -0.67 0.00 0.00 178.83 178.72 3hfp h VAL 223 N -0.55 1.19 -0.64 -0.54 2.07 -1.48 -2.84 116.25 113.47 3hfp h VAL 223 Ca -0.02 -0.66 0.08 0.00 0.82 0.00 0.00 66.70 66.92 3hfp h VAL 223 Cb 0.42 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 3hfp h VAL 223 CO 0.03 0.25 0.29 -0.07 0.02 0.00 0.00 177.57 178.09 3hfp h LEU 224 N 0.67 0.36 -1.07 2.57 3.38 -1.39 -1.58 115.31 118.26 3hfp h LEU 224 Ca 0.16 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 58.09 3hfp h LEU 224 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3hfp h LEU 224 CO -0.01 0.22 -0.40 0.11 0.09 0.00 0.00 178.44 178.45 3hfp h LYS 225 N 0.52 0.13 -0.67 1.13 1.57 -1.49 -2.10 116.57 115.66 3hfp h LYS 225 Ca 0.31 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 59.08 3hfp h LYS 225 Cb 0.33 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.59 3hfp h LYS 225 CO -0.26 0.51 0.39 0.74 -0.57 0.00 0.00 179.45 180.26 3hfp h PHE 226 N 0.11 0.73 0.00 -1.35 -1.00 -1.22 -2.89 116.94 111.32 3hfp h PHE 226 Ca 0.01 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.81 3hfp h PHE 226 Cb 0.76 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 40.09 3hfp h PHE 226 CO 0.01 0.37 0.00 0.54 -1.61 0.00 0.00 178.31 177.62 3hfp n ARG 227 N -4.75 0.31 0.00 1.51 1.74 -0.65 -2.61 116.66 112.22 3hfp n ARG 227 Ca 0.08 0.10 0.12 0.00 -0.77 0.00 0.00 57.85 57.37 3hfp n ARG 227 Cb 0.14 -1.50 0.17 0.00 -1.02 0.00 0.00 32.46 30.25 3hfp n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3hfp n LYS 228 N -1.25 0.29 -1.79 5.56 5.02 -1.09 -4.49 118.16 120.41 3hfp n LYS 228 Ca 0.10 -0.20 -0.34 0.00 -2.02 0.00 0.00 58.31 55.85 3hfp n LYS 228 Cb 0.14 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.70 3hfp n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hfp s LEU 229 N -2.85 3.49 0.00 -0.35 1.02 -1.07 -4.85 118.68 114.06 3hfp s LEU 229 Ca 0.14 2.24 0.01 0.00 0.02 0.00 0.00 54.13 56.53 3hfp s LEU 229 Cb 0.18 -4.58 -0.04 0.00 0.02 0.00 0.00 46.19 41.77 3hfp s LEU 229 CO 0.69 -1.77 0.04 0.20 0.02 0.00 0.00 176.35 175.53 3hfp s ASN 230 N -2.04 5.38 0.11 2.29 0.02 0.16 0.37 114.94 121.23 3hfp s ASN 230 Ca 0.73 0.06 -0.11 0.00 -1.02 0.00 0.00 52.86 52.52 3hfp s ASN 230 Cb -0.26 -1.47 -0.13 0.00 0.02 0.00 0.00 41.25 39.41 3hfp s ASN 230 CO 0.39 0.27 1.31 -0.26 0.02 0.00 0.00 177.10 178.83 3hfp h PHE 231 N 4.20 0.98 -4.06 2.20 0.05 -0.75 -3.37 116.94 116.19 3hfp h PHE 231 Ca -0.49 -0.45 -0.46 0.00 3.82 0.00 0.00 57.97 60.39 3hfp h PHE 231 Cb 1.18 -0.14 0.14 0.00 2.00 0.00 0.00 35.95 39.13 3hfp h PHE 231 CO 0.62 1.27 0.25 0.54 -0.18 0.00 0.00 178.31 180.81 3hfp s ASN 232 N -7.12 3.08 0.38 2.17 4.22 -1.25 -4.23 114.94 112.19 3hfp s ASN 232 Ca -0.09 1.09 0.02 0.00 -2.14 0.00 0.00 52.86 51.73 3hfp s ASN 232 Cb 0.09 -1.72 -0.02 0.00 1.28 0.00 0.00 41.25 40.88 3hfp s ASN 232 CO 0.90 -2.83 0.58 -0.83 -2.04 0.00 0.00 177.10 172.87 3hfp s GLY 233 N -3.73 1.46 0.16 0.45 0.00 -1.26 0.15 107.32 104.54 3hfp s GLY 233 Ca 0.64 -1.07 -0.33 0.00 0.00 0.00 0.00 44.72 43.96 3hfp s GLY 233 CO 0.56 -0.96 1.12 -2.21 0.00 0.00 0.00 173.10 171.60 3hfp n GLU 234 N -1.87 0.98 -1.32 2.90 2.13 -1.26 -2.18 120.64 120.02 3hfp n GLU 234 Ca -0.02 0.35 -0.07 0.00 0.66 0.00 0.00 57.16 58.08 3hfp n GLU 234 Cb 0.57 -1.82 -0.02 0.00 0.27 0.00 0.00 31.44 30.44 3hfp n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hfp n GLY 235 N 1.98 0.78 3.74 8.31 0.00 -1.26 -5.05 105.19 113.69 3hfp n GLY 235 Ca 0.16 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 3hfp n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hfp s GLU 236 N -2.80 2.58 -0.05 1.61 2.02 -0.93 -5.08 118.70 116.06 3hfp s GLU 236 Ca 0.00 -1.28 -0.39 0.00 0.02 0.00 0.00 54.97 53.31 3hfp s GLU 236 Cb 0.00 -2.34 -0.18 0.00 0.10 0.00 0.00 34.13 31.71 3hfp s GLU 236 CO 0.00 0.33 1.32 -2.30 0.02 0.00 0.00 175.26 174.63 3hfp n PRO 237 N -1.07 0.64 -2.10 0.39 -0.02 -1.26 -4.84 135.00 126.75 3hfp n PRO 237 Ca -0.06 0.23 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 3hfp n PRO 237 Cb 0.59 -1.82 -0.03 0.00 -0.02 0.00 0.00 33.50 32.23 3hfp n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3hfp s GLU 238 N 0.96 4.20 -0.24 -0.52 2.12 -1.26 -4.77 118.70 119.19 3hfp s GLU 238 Ca 0.90 2.08 0.01 0.00 0.36 0.00 0.00 54.97 58.33 3hfp s GLU 238 Cb -1.13 -3.89 0.04 0.00 0.26 0.00 0.00 34.13 29.40 3hfp s GLU 238 CO 0.56 -0.79 -0.11 -2.00 -0.54 0.00 0.00 175.26 172.37 3hfp s GLU 239 N 3.74 2.61 0.32 4.30 2.12 -1.26 -5.05 118.70 125.48 3hfp s GLU 239 Ca 0.69 -1.11 -0.28 0.00 0.36 0.00 0.00 54.97 54.64 3hfp s GLU 239 Cb -0.31 -2.85 -0.09 0.00 0.26 0.00 0.00 34.13 31.14 3hfp s GLU 239 CO 0.27 -0.43 1.10 -0.51 -0.54 0.00 0.00 175.26 175.15 3hfp s LEU 240 N 1.22 4.42 -1.03 2.70 1.43 -1.26 -0.13 118.68 126.04 3hfp s LEU 240 Ca -0.03 2.25 -0.22 0.00 -1.03 0.00 0.00 54.13 55.10 3hfp s LEU 240 Cb -0.17 -3.79 0.06 0.00 0.03 0.00 0.00 46.19 42.32 3hfp s LEU 240 CO -0.07 -0.29 1.43 -0.32 0.23 0.00 0.00 176.35 177.34 3hfp s MET 241 N -1.77 3.61 0.08 1.70 -2.45 0.16 -4.46 119.30 116.17 3hfp s MET 241 Ca 0.49 -1.22 -0.04 0.00 -1.25 0.00 0.00 55.69 53.67 3hfp s MET 241 Cb -0.30 -5.33 -0.03 0.00 1.25 0.00 0.00 34.83 30.43 3hfp s MET 241 CO 0.38 -2.17 0.07 0.14 1.05 0.00 0.00 175.02 174.49 3hfp s VAL 242 N 4.72 0.17 -1.53 10.11 -7.23 -1.26 -4.50 120.40 120.88 3hfp s VAL 242 Ca 0.45 -1.62 -0.07 0.00 -1.81 0.00 0.00 61.98 58.93 3hfp s VAL 242 Cb -0.00 -1.58 0.06 0.00 0.56 0.00 0.00 36.38 35.42 3hfp s VAL 242 CO -0.09 -0.76 0.55 0.47 -0.31 0.00 0.00 175.10 174.96 3hfp n ASP 243 N 0.00 -1.50 -2.47 4.85 10.43 -0.58 -4.88 116.55 122.40 3hfp n ASP 243 Ca -0.12 -1.02 -0.26 0.00 2.57 0.00 0.00 54.79 55.96 3hfp n ASP 243 Cb 0.62 -2.89 -0.06 0.00 1.84 0.00 0.00 41.12 40.62 3hfp n ASP 243 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 3hfp n ASN 244 N -2.85 6.40 -4.34 -2.24 0.23 -1.11 -4.89 115.26 106.46 3hfp n ASN 244 Ca -0.16 -3.16 -0.29 0.00 -0.53 0.00 0.00 54.58 50.44 3hfp n ASN 244 Cb 0.61 -1.25 -0.14 0.00 -2.08 0.00 0.00 39.78 36.92 3hfp n ASN 244 CO 0.00 0.00 0.00 -1.66 -0.93 0.00 0.00 177.26 174.67 3hfp s TRP 245 N -1.54 2.22 0.02 -2.53 1.48 -1.26 -4.58 118.94 112.75 3hfp s TRP 245 Ca 0.59 -0.40 -0.17 0.00 -1.06 0.00 0.00 56.10 55.06 3hfp s TRP 245 Cb 0.38 -1.28 -0.06 0.00 -1.16 0.00 0.00 33.47 31.34 3hfp s TRP 245 CO -0.21 0.19 0.49 0.50 -4.06 0.00 0.00 176.95 173.85 3hfp s ARG 246 N -1.50 4.08 0.77 3.25 3.52 -1.26 -4.94 118.95 122.87 3hfp s ARG 246 Ca 0.11 0.56 -0.11 0.00 -0.13 0.00 0.00 55.73 56.17 3hfp s ARG 246 Cb -0.10 -3.25 0.06 0.00 -1.56 0.00 0.00 34.95 30.10 3hfp s ARG 246 CO 0.03 0.62 1.08 -2.14 -0.81 0.00 0.00 175.30 174.09 3hfp s PRO 247 N -0.94 2.28 0.32 5.12 0.02 -1.26 -4.61 135.00 135.93 3hfp s PRO 247 Ca 0.26 0.91 -0.29 0.00 0.02 0.00 0.00 61.00 61.91 3hfp s PRO 247 Cb -0.18 -1.92 -0.13 0.00 0.02 0.00 0.00 34.50 32.30 3hfp s PRO 247 CO 0.16 -1.55 1.30 0.00 -0.33 0.00 0.00 177.00 176.57 3hfp n ALA 248 N -3.43 1.22 -2.53 -1.55 0.00 -1.26 -4.30 120.51 108.66 3hfp n ALA 248 Ca 0.08 0.37 -0.22 0.00 0.00 0.00 0.00 53.44 53.67 3hfp n ALA 248 Cb 0.54 -2.25 -0.05 0.00 0.00 0.00 0.00 19.45 17.69 3hfp n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3hfp s GLN 249 N -1.59 2.56 0.32 0.00 -1.52 0.25 -4.90 119.66 114.77 3hfp s GLN 249 Ca 0.58 -1.40 -0.29 0.00 -1.95 0.00 0.00 55.36 52.30 3hfp s GLN 249 Cb -0.59 -2.33 -0.11 0.00 -0.22 0.00 0.00 33.01 29.76 3hfp s GLN 249 CO 0.60 0.13 1.49 -2.14 -0.25 0.00 0.00 175.29 175.11 3hfp s PRO 250 N -3.91 4.18 0.09 2.91 0.02 -1.26 -4.47 135.00 132.55 3hfp s PRO 250 Ca 0.39 2.48 -0.18 0.00 0.02 0.00 0.00 61.00 63.71 3hfp s PRO 250 Cb -0.04 -3.03 -0.08 0.00 0.02 0.00 0.00 34.50 31.37 3hfp s PRO 250 CO 0.24 -0.50 1.50 1.25 -0.33 0.00 0.00 177.00 179.17 3hfp h LEU 251 N 4.01 0.51 -2.57 -5.54 5.85 -1.95 -3.44 115.31 112.19 3hfp h LEU 251 Ca -0.48 -0.34 -0.25 0.00 0.84 0.00 0.00 57.88 57.64 3hfp h LEU 251 Cb 1.23 -0.14 0.15 0.00 0.37 0.00 0.00 40.66 42.27 3hfp h LEU 251 CO 0.72 0.73 -0.76 0.29 -0.34 0.00 0.00 178.44 179.08 3hfp n LYS 252 N -4.55 -1.96 0.00 1.25 5.02 -1.26 -3.28 118.16 113.37 3hfp n LYS 252 Ca -0.03 0.89 0.00 0.00 -2.02 0.00 0.00 58.31 57.15 3hfp n LYS 252 Cb 0.29 -5.53 0.00 0.00 -0.02 0.00 0.00 35.03 29.76 3hfp n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3hfp n ASN 253 N -2.94 0.00 -4.37 4.39 4.05 -1.26 -4.99 115.26 110.14 3hfp n ASN 253 Ca -0.07 0.00 -0.34 0.00 0.45 0.00 0.00 54.58 54.62 3hfp n ASN 253 Cb 0.60 0.00 0.09 0.00 1.23 0.00 0.00 39.78 41.70 3hfp n ASN 253 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3hfp n ARG 254 N 0.00 -0.07 -4.52 1.20 1.74 -1.21 -5.02 116.66 108.78 3hfp n ARG 254 Ca 0.00 0.02 -0.25 0.00 -0.77 0.00 0.00 57.85 56.84 3hfp n ARG 254 Cb 0.00 -1.71 -0.17 0.00 -1.02 0.00 0.00 32.46 29.56 3hfp n ARG 254 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 3hfp s GLN 255 N -3.10 1.78 -0.18 5.56 -2.07 -1.26 -5.04 119.66 115.35 3hfp s GLN 255 Ca 0.57 -0.43 -0.17 0.00 -1.82 0.00 0.00 55.36 53.52 3hfp s GLN 255 Cb -0.25 -1.50 -0.04 0.00 -1.09 0.00 0.00 33.01 30.13 3hfp s GLN 255 CO 0.67 -0.01 0.42 0.42 -1.32 0.00 0.00 175.29 175.47 3hfp s ILE 256 N 0.80 5.20 -0.05 3.63 1.01 -1.26 -4.62 121.20 125.90 3hfp s ILE 256 Ca -0.12 0.78 -0.00 0.00 0.00 0.00 0.00 60.65 61.31 3hfp s ILE 256 Cb -0.15 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 3hfp s ILE 256 CO 0.02 0.28 -0.00 -0.54 0.00 0.00 0.00 174.94 174.70 3hfp s LYS 257 N 1.08 2.88 -0.06 2.79 1.02 0.20 -2.12 119.74 125.53 3hfp s LYS 257 Ca 0.21 -0.51 -0.04 0.00 0.02 0.00 0.00 55.97 55.66 3hfp s LYS 257 Cb -0.15 -2.73 -0.04 0.00 -0.52 0.00 0.00 37.83 34.40 3hfp s LYS 257 CO 0.08 0.67 0.11 0.00 -0.92 0.00 0.00 175.35 175.29 3hfp s ALA 258 N -0.97 3.73 -1.09 5.17 0.00 0.29 -0.02 121.76 128.86 3hfp s ALA 258 Ca 0.16 -0.75 0.27 0.00 0.00 0.00 0.00 51.96 51.63 3hfp s ALA 258 Cb -0.11 -1.77 0.81 0.00 0.00 0.00 0.00 23.12 22.04 3hfp s ALA 258 CO 0.06 0.66 1.62 -1.13 0.00 0.00 0.00 175.76 176.97 3hfp n SER 259 N 1.56 0.36 -0.11 0.00 3.41 0.39 -0.80 113.62 118.44 3hfp n SER 259 Ca -0.16 -0.07 0.01 0.00 -0.26 0.00 0.00 58.87 58.40 3hfp n SER 259 Cb 0.54 -0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.48 3hfp n SER 259 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10