#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a3f h LEU 2 N 0.00 0.51 -0.46 -4.53 5.85 -1.55 -1.95 115.31 113.18 1a3f h LEU 2 Ca 0.00 0.04 -0.17 0.00 0.84 0.00 0.00 57.88 58.59 1a3f h LEU 2 Cb 0.00 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 1a3f h LEU 2 CO 0.00 0.25 -0.58 1.88 -0.34 0.00 0.00 178.44 179.65 1a3f h TYR 3 N 0.54 0.74 -0.03 1.25 0.05 -1.99 -2.55 116.97 114.98 1a3f h TYR 3 Ca 0.43 -0.27 -0.12 0.00 0.05 0.00 0.00 58.73 58.82 1a3f h TYR 3 Cb 0.87 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.46 1a3f h TYR 3 CO -0.00 1.02 -0.52 1.96 -1.05 0.00 0.00 178.16 179.57 1a3f h GLN 4 N 0.44 0.09 -0.09 4.88 4.20 -1.80 -1.91 115.11 120.92 1a3f h GLN 4 Ca 0.00 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1a3f h GLN 4 Cb 1.14 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.92 1a3f h GLN 4 CO 0.11 0.59 -0.02 0.35 -0.67 0.00 0.00 178.83 179.18 1a3f h PHE 5 N 0.07 0.20 -0.85 2.96 3.57 -1.31 -2.27 116.94 119.31 1a3f h PHE 5 Ca -0.00 -0.04 0.12 0.00 3.53 0.00 0.00 57.97 61.57 1a3f h PHE 5 Cb 0.94 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.57 1a3f h PHE 5 CO 0.01 0.49 0.55 -0.22 -2.23 0.00 0.00 178.31 176.91 1a3f h LYS 6 N -0.15 0.70 0.00 1.11 3.64 -1.21 -0.56 116.57 120.11 1a3f h LYS 6 Ca 0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1a3f h LYS 6 Cb 0.43 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1a3f h LYS 6 CO 0.01 0.47 0.00 -0.91 -2.27 0.00 0.00 179.45 176.75 1a3f h ASN 7 N 0.73 0.00 0.20 4.20 2.35 -1.08 -2.72 115.58 119.25 1a3f h ASN 7 Ca 0.41 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.89 1a3f h ASN 7 Cb 0.58 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.98 1a3f h ASN 7 CO -0.17 0.00 -1.19 0.24 -1.65 0.00 0.00 177.43 174.66 1a3f h MET 8 N 0.00 0.42 -0.08 0.81 2.86 -0.53 -2.92 114.93 115.50 1a3f h MET 8 Ca 0.00 -0.72 -0.01 0.00 -2.06 0.00 0.00 59.70 56.91 1a3f h MET 8 Cb 0.70 0.27 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 1a3f h MET 8 CO 0.00 1.34 -0.01 0.82 1.06 0.00 0.00 176.91 180.13 1a3f h ILE 9 N -0.11 1.06 -0.27 -1.22 2.04 -1.41 -0.78 117.51 116.82 1a3f h ILE 9 Ca -0.21 -0.23 -0.17 0.00 1.00 0.00 0.00 64.86 65.25 1a3f h ILE 9 Cb 1.92 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 39.01 1a3f h ILE 9 CO 0.21 0.07 -0.49 0.50 0.00 0.00 0.00 178.15 178.44 1a3f h LYS 10 N 0.11 0.76 0.19 2.37 1.63 -1.49 0.37 116.57 120.49 1a3f h LYS 10 Ca 0.03 -0.45 -0.01 0.00 -0.85 0.00 0.00 60.65 59.37 1a3f h LYS 10 Cb 0.09 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1a3f h LYS 10 CO 0.00 1.07 -0.09 0.00 -3.45 0.00 0.00 179.45 176.98 1a3f h THR 12 N -0.26 0.81 -2.09 0.00 1.35 -1.35 -3.35 112.91 108.02 1a3f h THR 12 Ca -0.03 -2.40 -0.56 0.00 -0.55 0.00 0.00 66.41 62.88 1a3f h THR 12 Cb 0.20 2.31 -0.40 0.00 -1.73 0.00 0.00 68.15 68.52 1a3f h THR 12 CO 0.04 0.46 -0.92 0.52 -0.25 0.00 0.00 175.52 175.37 1a3f n VAL 13 N -3.05 0.78 0.00 6.82 0.31 0.13 -4.79 118.33 118.53 1a3f n VAL 13 Ca -0.08 -4.69 0.05 0.00 -0.01 0.00 0.00 64.34 59.62 1a3f n VAL 13 Cb 0.88 -1.56 0.45 0.00 -0.91 0.00 0.00 33.84 32.71 1a3f n VAL 13 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1a3f h PRO 14 N 3.68 0.49 0.00 5.55 0.11 -1.53 -1.32 132.00 138.98 1a3f h PRO 14 Ca 0.12 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 1a3f h PRO 14 Cb 0.79 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.78 1a3f h PRO 14 CO 0.62 0.32 -0.06 0.66 -0.21 0.00 0.00 178.00 179.33 1a3f h SER 15 N 0.50 0.00 -3.08 -2.05 4.64 -1.92 -3.44 113.55 108.21 1a3f h SER 15 Ca 0.16 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.86 1a3f h SER 15 Cb 0.04 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.00 1a3f h SER 15 CO -0.04 0.06 -0.70 -0.60 -0.87 0.00 0.00 176.83 174.69 1a3f s ARG 16 N -4.11 2.24 0.08 4.77 3.52 -0.50 -5.10 118.95 119.84 1a3f s ARG 16 Ca -0.03 -1.13 -0.22 0.00 -0.13 0.00 0.00 55.73 54.22 1a3f s ARG 16 Cb 0.12 -2.29 -0.07 0.00 -1.56 0.00 0.00 34.95 31.16 1a3f s ARG 16 CO 0.53 0.46 0.65 0.45 -0.81 0.00 0.00 175.30 176.59 1a3f s SER 17 N -2.73 7.15 0.53 -2.12 0.15 -1.26 -4.88 113.70 110.55 1a3f s SER 17 Ca 0.25 1.36 0.31 0.00 0.70 0.00 0.00 55.95 58.58 1a3f s SER 17 Cb -0.10 -2.41 1.47 0.00 -1.71 0.00 0.00 66.02 63.28 1a3f s SER 17 CO 0.16 0.19 1.89 -0.25 1.20 0.00 0.00 173.24 176.44 1a3f h TRP 18 N 4.84 0.02 0.00 3.44 2.91 -1.93 0.25 115.95 125.47 1a3f h TRP 18 Ca -0.47 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.52 1a3f h TRP 18 Cb 1.21 -0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 29.85 1a3f h TRP 18 CO 0.66 0.00 -0.11 -1.49 -1.03 0.00 0.00 178.44 176.47 1a3f h TRP 19 N 0.01 0.00 0.00 2.65 4.06 -2.00 -2.71 115.95 117.96 1a3f h TRP 19 Ca 0.43 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 61.30 1a3f h TRP 19 Cb 1.69 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.84 1a3f h TRP 19 CO -0.00 0.11 -0.35 -0.44 -3.56 0.00 0.00 178.44 174.20 1a3f h ASP 20 N 0.00 0.00 0.04 -3.49 3.32 -0.89 -2.78 116.42 112.62 1a3f h ASP 20 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1a3f h ASP 20 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1a3f h ASP 20 CO 0.01 0.35 -0.17 0.49 -1.72 0.00 0.00 179.24 178.21 1a3f n PHE 21 N -3.72 0.00 0.53 4.55 3.72 -1.03 -4.35 117.46 117.17 1a3f n PHE 21 Ca -0.01 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.52 1a3f n PHE 21 Cb 0.45 -0.03 0.30 0.00 -0.94 0.00 0.00 39.48 39.26 1a3f n PHE 21 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a3f h ALA 22 N 4.18 0.89 -0.85 4.37 0.00 -1.41 -3.33 119.26 123.11 1a3f h ALA 22 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.55 1a3f h ALA 22 Cb 0.69 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.23 1a3f h ALA 22 CO 0.00 0.00 -0.76 -3.47 0.00 0.00 0.00 179.25 175.02 1a3f n ASP 23 N -2.38 -1.48 -4.05 0.00 2.03 -1.22 -3.81 116.55 105.64 1a3f n ASP 23 Ca 0.05 -3.12 -0.24 0.00 0.52 0.00 0.00 54.79 52.00 1a3f n ASP 23 Cb 0.45 0.80 -0.16 0.00 -0.72 0.00 0.00 41.12 41.49 1a3f n ASP 23 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1a3f s TYR 24 N -0.26 1.39 0.00 -0.67 6.14 -1.01 -0.41 117.35 122.54 1a3f s TYR 24 Ca 0.33 -0.43 0.00 0.00 0.64 0.00 0.00 57.07 57.61 1a3f s TYR 24 Cb 0.23 -0.98 0.00 0.00 0.42 0.00 0.00 41.96 41.63 1a3f s TYR 24 CO -0.16 -0.19 0.00 0.41 0.64 0.00 0.00 175.55 176.25 1a3f n GLY 25 N 3.43 1.00 0.06 8.97 0.00 0.11 -1.69 105.19 117.08 1a3f n GLY 25 Ca -0.20 -0.63 0.11 0.00 0.00 0.00 0.00 46.02 45.30 1a3f n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a3f n TYR 27 N -2.32 0.00 -2.34 0.00 4.01 -1.25 -3.10 117.16 112.16 1a3f n TYR 27 Ca -0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 1a3f n TYR 27 Cb 0.52 -0.09 -0.02 0.00 -0.31 0.00 0.00 39.34 39.43 1a3f n TYR 27 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1a3f n GLY 29 N 4.32 1.24 0.00 0.00 0.00 -1.25 -2.40 105.19 107.10 1a3f n GLY 29 Ca 0.16 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1a3f n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a3f n ARG 30 N 0.00 0.36 -1.41 1.61 3.00 -1.26 -5.04 116.66 113.92 1a3f n ARG 30 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1a3f n ARG 30 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1a3f n ARG 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a3f n GLY 31 N 5.00 -2.64 0.00 -0.13 0.00 -1.18 -4.62 105.19 101.61 1a3f n GLY 31 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1a3f n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a3f n GLY 32 N -1.70 0.57 3.38 -0.02 0.00 -1.24 -4.75 105.19 101.43 1a3f n GLY 32 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1a3f n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a3f s SER 33 N 0.00 2.93 0.00 1.61 0.01 -1.26 -5.07 113.70 111.92 1a3f s SER 33 Ca 0.00 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.27 1a3f s SER 33 Cb 0.00 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.04 1a3f s SER 33 CO 0.00 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.19 1a3f n GLY 34 N -0.30 0.16 2.94 3.44 0.00 0.78 -4.54 105.19 107.67 1a3f n GLY 34 Ca -0.08 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 43.91 1a3f n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a3f s THR 35 N 0.00 -0.02 0.11 2.61 2.01 -1.26 -4.68 115.64 114.41 1a3f s THR 35 Ca 0.00 0.09 -0.35 0.00 0.31 0.00 0.00 61.69 61.74 1a3f s THR 35 Cb 0.00 -0.18 -0.15 0.00 0.01 0.00 0.00 72.50 72.18 1a3f s THR 35 CO 0.00 0.04 1.50 -2.65 -0.69 0.00 0.00 174.62 172.82 1a3f n PRO 36 N 3.59 1.74 0.17 4.92 -0.02 -1.26 -4.80 135.00 139.33 1a3f n PRO 36 Ca -0.19 0.63 0.02 0.00 -2.02 0.00 0.00 63.50 61.94 1a3f n PRO 36 Cb 0.55 -2.35 0.28 0.00 -0.02 0.00 0.00 33.50 31.96 1a3f n PRO 36 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1a3f h VAL 37 N 3.63 1.18 -2.69 -1.45 -1.51 -1.95 -3.47 116.25 109.99 1a3f h VAL 37 Ca -0.46 -1.72 -0.05 0.00 -1.23 0.00 0.00 66.70 63.24 1a3f h VAL 37 Cb 1.29 1.97 -0.00 0.00 -2.13 0.00 0.00 31.29 32.41 1a3f h VAL 37 CO 0.85 0.47 0.10 -0.90 -1.23 0.00 0.00 177.57 176.86 1a3f n ASP 38 N -3.74 -1.19 0.04 4.19 5.68 -1.26 -5.02 116.55 115.24 1a3f n ASP 38 Ca -0.01 -1.94 -0.11 0.00 -0.50 0.00 0.00 54.79 52.23 1a3f n ASP 38 Cb 0.53 2.01 -0.04 0.00 -1.14 0.00 0.00 41.12 42.48 1a3f n ASP 38 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1a3f h ASP 39 N 1.12 -0.68 -0.99 -1.12 3.32 -1.91 -1.37 116.42 114.78 1a3f h ASP 39 Ca -0.18 0.10 0.06 0.00 0.02 0.00 0.00 57.03 57.03 1a3f h ASP 39 Cb 0.69 0.29 -0.06 0.00 0.22 0.00 0.00 39.33 40.47 1a3f h ASP 39 CO 0.23 -0.29 0.64 0.25 -1.72 0.00 0.00 179.24 178.36 1a3f h LEU 40 N -0.33 1.04 -1.50 1.55 5.85 -1.90 0.01 115.31 120.04 1a3f h LEU 40 Ca 0.08 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1a3f h LEU 40 Cb 0.44 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1a3f h LEU 40 CO -0.24 0.68 -0.23 -0.78 -0.34 0.00 0.00 178.44 177.54 1a3f h ASP 41 N 1.19 0.03 -0.18 1.25 3.58 -1.83 -1.60 116.42 118.86 1a3f h ASP 41 Ca 0.42 -0.01 -0.16 0.00 0.42 0.00 0.00 57.03 57.70 1a3f h ASP 41 Cb 0.12 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 1a3f h ASP 41 CO -0.15 0.26 -0.48 -0.09 -2.88 0.00 0.00 179.24 175.90 1a3f h ARG 42 N 0.03 0.75 -0.39 0.28 9.65 0.10 -1.94 114.38 122.86 1a3f h ARG 42 Ca 0.00 -0.44 0.06 0.00 -1.10 0.00 0.00 59.98 58.50 1a3f h ARG 42 Cb 0.42 0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.99 1a3f h ARG 42 CO 0.03 1.06 0.10 0.00 2.80 0.00 0.00 179.97 183.96 1a3f h GLN 45 N 1.16 -0.29 -0.70 0.00 4.15 -0.18 -1.37 115.11 117.88 1a3f h GLN 45 Ca 0.29 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.77 1a3f h GLN 45 Cb 0.05 0.07 -0.05 0.00 0.21 0.00 0.00 27.48 27.76 1a3f h GLN 45 CO -0.04 -0.19 0.43 0.28 -1.93 0.00 0.00 178.83 177.37 1a3f h VAL 46 N -0.30 1.05 -0.90 2.39 2.07 -0.50 -2.06 116.25 117.99 1a3f h VAL 46 Ca -0.02 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1a3f h VAL 46 Cb 0.25 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 1a3f h VAL 46 CO 0.01 0.15 0.52 -0.74 0.02 0.00 0.00 177.57 177.53 1a3f h HIS 47 N 0.81 1.22 0.21 1.57 -0.00 -0.83 -0.59 115.15 117.54 1a3f h HIS 47 Ca 0.30 -0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.66 1a3f h HIS 47 Cb 0.09 -0.39 -0.03 0.00 -0.00 0.00 0.00 27.41 27.07 1a3f h HIS 47 CO -0.05 0.83 -0.36 0.22 -0.00 0.00 0.00 177.93 178.57 1a3f h ASP 48 N 1.26 -1.01 -0.10 3.26 3.58 -0.90 0.60 116.42 123.10 1a3f h ASP 48 Ca 0.32 0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.87 1a3f h ASP 48 Cb -0.00 0.37 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 1a3f h ASP 48 CO -0.06 -0.46 0.05 0.78 -2.88 0.00 0.00 179.24 176.67 1a3f h ASN 49 N -0.65 0.16 -0.24 2.28 2.35 -1.04 -1.62 115.58 116.82 1a3f h ASN 49 Ca 0.01 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 1a3f h ASN 49 Cb 0.64 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.96 1a3f h ASN 49 CO -0.15 0.15 -0.31 0.00 -1.65 0.00 0.00 177.43 175.47 1a3f h TYR 51 N 0.36 0.59 -0.59 0.00 -1.99 -0.20 -2.28 116.97 112.86 1a3f h TYR 51 Ca 0.03 -0.05 0.05 0.00 2.00 0.00 0.00 58.73 60.76 1a3f h TYR 51 Cb 0.89 -0.17 -0.05 0.00 2.00 0.00 0.00 36.73 39.40 1a3f h TYR 51 CO 0.08 0.55 0.30 -0.91 -0.00 0.00 0.00 178.16 178.18 1a3f h ASN 52 N 0.55 0.44 0.26 3.88 4.21 -1.13 -1.41 115.58 122.38 1a3f h ASN 52 Ca 0.12 0.03 -0.16 0.00 1.21 0.00 0.00 56.30 57.51 1a3f h ASN 52 Cb 0.30 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.44 1a3f h ASN 52 CO 0.01 0.29 -0.62 -0.08 -1.29 0.00 0.00 177.43 175.74 1a3f h GLU 53 N 0.57 0.35 0.00 0.81 4.57 -1.28 -2.96 114.58 116.64 1a3f h GLU 53 Ca 0.26 -0.24 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 1a3f h GLU 53 Cb 0.18 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1a3f h GLU 53 CO -0.18 0.86 -0.24 0.00 -1.18 0.00 0.00 179.01 178.27 1a3f h ALA 54 N 1.09 1.20 0.00 2.92 0.00 -0.80 -2.08 119.26 121.58 1a3f h ALA 54 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1a3f h ALA 54 Cb 1.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1a3f h ALA 54 CO 0.10 0.29 0.00 0.93 0.00 0.00 0.00 179.25 180.58 1a3f h GLU 55 N 0.00 0.00 0.00 0.00 5.08 -1.11 -2.66 114.58 115.88 1a3f h GLU 55 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1a3f h GLU 55 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1a3f h GLU 55 CO 0.03 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.67 1a3f n LYS 56 N -2.74 0.29 -3.18 2.33 5.02 -0.78 -4.51 118.16 114.59 1a3f n LYS 56 Ca 0.02 0.10 -0.40 0.00 -2.02 0.00 0.00 58.31 56.02 1a3f n LYS 56 Cb 0.32 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.77 1a3f n LYS 56 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1a3f s ILE 57 N -2.50 5.05 -0.03 -0.18 1.01 -1.01 -5.01 121.20 118.55 1a3f s ILE 57 Ca 0.18 1.07 -0.33 0.00 0.00 0.00 0.00 60.65 61.56 1a3f s ILE 57 Cb 0.12 -3.89 -0.12 0.00 0.01 0.00 0.00 42.46 38.58 1a3f s ILE 57 CO 0.26 0.13 1.86 -1.54 0.00 0.00 0.00 174.94 175.65 1a3f n SER 58 N 5.03 3.55 0.00 3.58 3.41 -1.26 -1.45 113.62 126.48 1a3f n SER 58 Ca -0.03 0.98 0.00 0.00 -0.26 0.00 0.00 58.87 59.56 1a3f n SER 58 Cb 0.50 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 1a3f n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a3f n GLY 59 N 4.30 0.60 3.41 5.00 0.00 -1.26 -5.03 105.19 112.20 1a3f n GLY 59 Ca 0.21 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 1a3f n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a3f s TRP 61 N 1.63 3.23 0.19 0.00 0.51 -1.26 -4.45 118.94 118.79 1a3f s TRP 61 Ca 0.04 -3.09 -0.06 0.00 -2.12 0.00 0.00 56.10 50.87 1a3f s TRP 61 Cb -0.22 -2.90 0.30 0.00 -0.81 0.00 0.00 33.47 29.84 1a3f s TRP 61 CO 0.08 -0.76 1.07 -2.30 -0.51 0.00 0.00 176.95 174.53 1a3f n PRO 62 N 3.17 -0.07 0.03 4.98 -0.02 -1.26 -0.92 135.00 140.90 1a3f n PRO 62 Ca 0.06 1.07 0.12 0.00 -2.02 0.00 0.00 63.50 62.72 1a3f n PRO 62 Cb 0.33 -1.59 0.50 0.00 -0.02 0.00 0.00 33.50 32.71 1a3f n PRO 62 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1a3f n TYR 63 N -5.10 0.23 -0.06 6.00 4.01 -1.26 -3.37 117.16 117.60 1a3f n TYR 63 Ca 0.11 0.07 -0.02 0.00 -0.16 0.00 0.00 57.90 57.89 1a3f n TYR 63 Cb 0.34 -0.62 -0.14 0.00 -0.31 0.00 0.00 39.34 38.60 1a3f n TYR 63 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1a3f n PHE 64 N -1.69 0.00 -2.09 -0.72 3.72 -0.10 -1.62 117.46 114.96 1a3f n PHE 64 Ca 0.05 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.03 1a3f n PHE 64 Cb 0.30 -0.72 -0.03 0.00 -0.94 0.00 0.00 39.48 38.10 1a3f n PHE 64 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1a3f s LYS 65 N -2.74 3.90 -0.02 -1.08 2.47 -0.75 -4.67 119.74 116.84 1a3f s LYS 65 Ca -0.08 1.80 -0.23 0.00 -1.56 0.00 0.00 55.97 55.90 1a3f s LYS 65 Cb 0.08 -4.02 -0.05 0.00 -1.46 0.00 0.00 37.83 32.39 1a3f s LYS 65 CO 0.75 -1.17 0.68 0.99 0.16 0.00 0.00 175.35 176.76 1a3f s THR 66 N 4.89 4.93 0.51 3.43 2.01 -1.26 0.19 115.64 130.34 1a3f s THR 66 Ca 0.72 1.43 0.01 0.00 0.31 0.00 0.00 61.69 64.15 1a3f s THR 66 Cb -0.27 -4.03 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 1a3f s THR 66 CO 0.29 0.33 0.02 -0.72 -0.69 0.00 0.00 174.62 173.84 1a3f s TYR 67 N 0.32 1.79 -0.19 4.92 -0.85 -1.26 -4.84 117.35 117.24 1a3f s TYR 67 Ca 0.36 -1.04 -0.01 0.00 -0.52 0.00 0.00 57.07 55.86 1a3f s TYR 67 Cb -0.18 -1.53 -0.00 0.00 0.38 0.00 0.00 41.96 40.62 1a3f s TYR 67 CO 0.19 0.13 -0.12 0.45 -1.52 0.00 0.00 175.55 174.68 1a3f s SER 68 N -3.86 3.82 0.32 -0.18 0.15 -1.26 -4.95 113.70 107.74 1a3f s SER 68 Ca 0.05 -0.47 -0.15 0.00 0.70 0.00 0.00 55.95 56.08 1a3f s SER 68 Cb 0.01 -1.62 0.03 0.00 -1.71 0.00 0.00 66.02 62.72 1a3f s SER 68 CO 0.03 0.03 0.66 -0.72 1.20 0.00 0.00 173.24 174.44 1a3f s TYR 69 N 1.16 0.23 -0.08 3.44 1.13 -1.26 -0.80 117.35 121.16 1a3f s TYR 69 Ca 0.01 -0.71 -0.09 0.00 -1.41 0.00 0.00 57.07 54.87 1a3f s TYR 69 Cb -0.14 0.53 0.02 0.00 -1.10 0.00 0.00 41.96 41.27 1a3f s TYR 69 CO -0.04 -1.30 0.24 -1.83 -2.51 0.00 0.00 175.55 170.11 1a3f s GLU 70 N -3.20 0.31 -0.23 -3.49 -1.05 -0.04 -4.91 118.70 106.09 1a3f s GLU 70 Ca 0.18 0.27 -0.06 0.00 -0.15 0.00 0.00 54.97 55.21 1a3f s GLU 70 Cb -0.04 0.15 -0.02 0.00 -0.44 0.00 0.00 34.13 33.78 1a3f s GLU 70 CO 0.11 -0.05 0.03 0.00 0.95 0.00 0.00 175.26 176.30 1a3f s SER 72 N 1.44 3.96 -0.60 0.00 0.15 0.41 -4.91 113.70 114.14 1a3f s SER 72 Ca 0.05 -3.07 -0.14 0.00 0.70 0.00 0.00 55.95 53.50 1a3f s SER 72 Cb -0.15 -1.32 0.02 0.00 -1.71 0.00 0.00 66.02 62.86 1a3f s SER 72 CO 0.01 -0.21 0.64 0.00 1.20 0.00 0.00 173.24 174.89 1a3f n GLN 73 N 2.99 -1.82 -0.75 5.44 1.13 -1.26 -2.25 117.38 120.86 1a3f n GLN 73 Ca 0.12 1.51 0.00 0.00 -1.94 0.00 0.00 57.00 56.69 1a3f n GLN 73 Cb 0.35 -4.17 0.00 0.00 0.11 0.00 0.00 30.24 26.53 1a3f n GLN 73 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1a3f n GLY 74 N -0.96 0.81 3.19 1.08 0.00 -1.26 -4.97 105.19 103.09 1a3f n GLY 74 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1a3f n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a3f s THR 75 N -2.96 2.43 0.01 2.61 2.01 -0.95 -4.75 115.64 114.03 1a3f s THR 75 Ca 0.00 -0.83 -0.10 0.00 0.31 0.00 0.00 61.69 61.08 1a3f s THR 75 Cb 0.00 -2.04 -0.05 0.00 0.01 0.00 0.00 72.50 70.42 1a3f s THR 75 CO 0.00 0.51 0.32 -0.76 -0.69 0.00 0.00 174.62 174.01 1a3f s LEU 76 N 1.18 4.40 -0.14 4.42 1.43 -1.26 -0.45 118.68 128.26 1a3f s LEU 76 Ca 0.02 0.72 -0.06 0.00 -1.03 0.00 0.00 54.13 53.78 1a3f s LEU 76 Cb -0.14 -2.65 0.06 0.00 0.03 0.00 0.00 46.19 43.49 1a3f s LEU 76 CO -0.07 0.27 0.31 -0.89 0.23 0.00 0.00 176.35 176.20 1a3f s THR 77 N -1.23 -0.18 -0.03 5.49 2.01 -0.62 -4.99 115.64 116.09 1a3f s THR 77 Ca 0.26 0.16 -0.17 0.00 0.31 0.00 0.00 61.69 62.26 1a3f s THR 77 Cb -0.14 -0.48 -0.05 0.00 0.01 0.00 0.00 72.50 71.83 1a3f s THR 77 CO 0.14 0.07 0.47 0.00 -0.69 0.00 0.00 174.62 174.61 1a3f s LYS 79 N -0.44 3.56 0.45 0.00 1.02 0.02 -4.96 119.74 119.39 1a3f s LYS 79 Ca 0.26 0.31 0.23 0.00 0.02 0.00 0.00 55.97 56.79 1a3f s LYS 79 Cb -0.17 -2.32 1.07 0.00 -0.52 0.00 0.00 37.83 35.89 1a3f s LYS 79 CO 0.14 -0.27 1.91 0.78 -0.92 0.00 0.00 175.35 176.98 1a3f h GLY 80 N 0.15 0.00 -4.15 -3.33 0.00 -1.98 -3.33 103.07 90.44 1a3f h GLY 80 Ca -0.46 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.69 1a3f h GLY 80 CO 0.62 0.00 -0.19 2.09 0.00 0.00 0.00 176.54 179.06 1a3f n ASP 81 N -3.58 4.67 -4.13 0.19 5.75 -1.26 -4.77 116.55 113.41 1a3f n ASP 81 Ca -0.01 -2.36 -0.21 0.00 -0.01 0.00 0.00 54.79 52.19 1a3f n ASP 81 Cb 0.37 -1.25 -0.14 0.00 -1.03 0.00 0.00 41.12 39.06 1a3f n ASP 81 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1a3f s ASN 82 N 2.13 1.68 1.05 -1.12 0.01 -1.25 -4.74 114.94 112.70 1a3f s ASN 82 Ca 0.59 -0.34 -0.17 0.00 -0.71 0.00 0.00 52.86 52.22 1a3f s ASN 82 Cb 0.28 -0.15 0.23 0.00 0.41 0.00 0.00 41.25 42.02 1a3f s ASN 82 CO -0.00 0.11 1.23 -0.46 -1.51 0.00 0.00 177.10 176.47 1a3f n ASN 83 N 2.36 -0.37 -0.11 -1.22 0.23 -1.26 -4.60 115.26 110.29 1a3f n ASN 83 Ca -0.16 -1.39 -0.06 0.00 -0.53 0.00 0.00 54.58 52.44 1a3f n ASN 83 Cb 0.55 -0.98 0.01 0.00 -2.08 0.00 0.00 39.78 37.28 1a3f n ASN 83 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1a3f h ALA 84 N -2.00 0.11 -0.01 -2.53 0.00 -1.99 0.20 119.26 113.04 1a3f h ALA 84 Ca -0.41 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1a3f h ALA 84 Cb 1.15 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 1a3f h ALA 84 CO 0.28 -0.55 0.00 0.00 0.00 0.00 0.00 179.25 178.99 1a3f h ALA 86 N 0.78 1.04 -0.39 0.00 0.00 -1.83 -1.75 119.26 117.11 1a3f h ALA 86 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1a3f h ALA 86 Cb 0.23 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1a3f h ALA 86 CO 0.00 0.35 0.20 0.00 0.00 0.00 0.00 179.25 179.80 1a3f h ALA 87 N 1.32 0.51 -0.40 0.00 0.00 -0.51 -1.49 119.26 118.68 1a3f h ALA 87 Ca 0.31 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1a3f h ALA 87 Cb -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1a3f h ALA 87 CO -0.10 0.06 -0.03 0.77 0.00 0.00 0.00 179.25 179.95 1a3f h SER 88 N 0.50 0.72 -0.32 0.00 0.02 -1.07 -2.72 113.55 110.68 1a3f h SER 88 Ca 0.14 -0.32 -0.05 0.00 -0.84 0.00 0.00 61.79 60.72 1a3f h SER 88 Cb 0.10 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1a3f h SER 88 CO -0.02 0.87 0.01 0.58 -1.14 0.00 0.00 176.83 177.13 1a3f h VAL 89 N 0.55 1.25 -0.99 2.27 2.07 -1.25 -2.33 116.25 117.82 1a3f h VAL 89 Ca 0.11 -0.92 0.02 0.00 0.82 0.00 0.00 66.70 66.73 1a3f h VAL 89 Cb 0.52 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 1a3f h VAL 89 CO 0.03 0.30 0.65 0.00 0.02 0.00 0.00 177.57 178.57 1a3f h ASP 91 N 1.30 0.52 -0.34 0.00 3.58 -1.30 0.19 116.42 120.37 1a3f h ASP 91 Ca 0.38 -0.18 -0.03 0.00 0.42 0.00 0.00 57.03 57.62 1a3f h ASP 91 Cb -0.07 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.82 1a3f h ASP 91 CO -0.10 0.78 0.11 0.00 -2.88 0.00 0.00 179.24 177.15 1a3f h ASP 93 N 0.39 -0.06 -0.71 0.00 3.32 -1.02 -1.81 116.42 116.53 1a3f h ASP 93 Ca 0.11 -0.19 0.10 0.00 0.02 0.00 0.00 57.03 57.07 1a3f h ASP 93 Cb 0.23 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.73 1a3f h ASP 93 CO -0.00 0.15 0.35 -0.09 -1.72 0.00 0.00 179.24 177.93 1a3f h ARG 94 N -0.27 0.56 0.00 3.56 2.43 -0.57 -0.63 114.38 119.47 1a3f h ARG 94 Ca -0.01 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 1a3f h ARG 94 Cb 0.24 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1a3f h ARG 94 CO 0.01 0.37 -0.50 -0.07 -1.51 0.00 0.00 179.97 178.28 1a3f h LEU 95 N 0.58 0.00 -0.32 3.80 3.38 -1.16 -2.97 115.31 118.62 1a3f h LEU 95 Ca 0.36 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.13 1a3f h LEU 95 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1a3f h LEU 95 CO -0.29 0.50 -0.75 0.00 0.09 0.00 0.00 178.44 177.99 1a3f h ALA 96 N 1.50 0.50 -0.65 1.53 0.00 -0.27 -1.89 119.26 119.98 1a3f h ALA 96 Ca -0.00 -0.60 -0.08 0.00 0.00 0.00 0.00 54.91 54.22 1a3f h ALA 96 Cb 0.99 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1a3f h ALA 96 CO 0.06 0.74 0.08 0.00 0.00 0.00 0.00 179.25 180.13 1a3f h ALA 97 N 0.81 0.91 -0.41 0.00 0.00 -1.20 0.63 119.26 119.99 1a3f h ALA 97 Ca -0.04 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 1a3f h ALA 97 Cb 1.34 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1a3f h ALA 97 CO 0.14 0.67 -0.09 0.82 0.00 0.00 0.00 179.25 180.78 1a3f h ILE 98 N 1.02 1.27 -0.22 0.00 2.04 -1.49 -2.29 117.51 117.84 1a3f h ILE 98 Ca 0.20 -1.18 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 1a3f h ILE 98 Cb 0.47 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1a3f h ILE 98 CO 0.02 0.40 0.10 0.00 0.00 0.00 0.00 178.15 178.67 1a3f h PHE 100 N 0.22 0.99 0.00 0.00 0.04 -0.76 -2.54 116.94 114.88 1a3f h PHE 100 Ca 0.07 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.84 1a3f h PHE 100 Cb 0.14 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 37.97 1a3f h PHE 100 CO -0.02 0.39 -0.17 0.00 -0.60 0.00 0.00 178.31 177.92 1a3f h ALA 101 N 1.57 1.42 -0.15 2.45 0.00 -0.88 -2.97 119.26 120.70 1a3f h ALA 101 Ca 0.47 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1a3f h ALA 101 Cb 0.57 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1a3f h ALA 101 CO -0.23 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.64 1a3f n GLY 102 N -0.76 0.82 3.69 0.00 0.00 -0.99 -4.94 105.19 103.01 1a3f n GLY 102 Ca -0.02 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 1a3f n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a3f s ALA 103 N -1.10 3.56 0.47 4.61 0.00 -1.02 -5.08 121.76 123.19 1a3f s ALA 103 Ca 0.20 -0.71 -0.22 0.00 0.00 0.00 0.00 51.96 51.22 1a3f s ALA 103 Cb 0.13 -2.04 -0.08 0.00 0.00 0.00 0.00 23.12 21.13 1a3f s ALA 103 CO 0.18 0.19 1.12 -1.25 0.00 0.00 0.00 175.76 175.99 1a3f s PRO 104 N 0.31 3.78 -0.39 0.00 0.04 -1.26 -4.88 135.00 132.60 1a3f s PRO 104 Ca 0.06 1.64 -0.14 0.00 0.04 0.00 0.00 61.00 62.60 1a3f s PRO 104 Cb -0.12 -2.32 0.02 0.00 0.04 0.00 0.00 34.50 32.12 1a3f s PRO 104 CO -0.01 -0.50 0.26 -0.47 0.04 0.00 0.00 177.00 176.32 1a3f s TYR 105 N -1.67 3.24 -0.37 0.56 6.14 -1.26 -4.50 117.35 119.50 1a3f s TYR 105 Ca 0.64 -0.64 -0.17 0.00 0.64 0.00 0.00 57.07 57.54 1a3f s TYR 105 Cb -0.25 -2.53 0.00 0.00 0.42 0.00 0.00 41.96 39.60 1a3f s TYR 105 CO 0.30 -0.57 0.47 1.21 0.64 0.00 0.00 175.55 177.60 1a3f s ASN 106 N 1.65 6.26 0.34 4.32 3.84 -1.26 -4.98 114.94 125.12 1a3f s ASN 106 Ca 0.04 -0.22 0.10 0.00 0.21 0.00 0.00 52.86 52.99 1a3f s ASN 106 Cb -0.19 -2.25 0.86 0.00 -0.55 0.00 0.00 41.25 39.13 1a3f s ASN 106 CO 0.09 -0.48 1.80 0.44 -2.79 0.00 0.00 177.10 176.16 1a3f h ASP 107 N 8.54 0.66 0.77 -4.21 3.32 -1.97 -0.05 116.42 123.47 1a3f h ASP 107 Ca -0.28 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1a3f h ASP 107 Cb 1.12 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1a3f h ASP 107 CO 0.76 0.24 0.00 0.78 -1.72 0.00 0.00 179.24 179.30 1a3f h ASN 108 N 0.64 0.00 -0.45 6.45 2.35 -2.02 -1.81 115.58 120.75 1a3f h ASN 108 Ca 0.55 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.30 1a3f h ASN 108 Cb 1.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.38 1a3f h ASN 108 CO -0.31 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.06 1a3f n ASN 109 N -2.58 2.69 -4.72 5.81 5.03 -0.03 -4.78 115.26 116.67 1a3f n ASN 109 Ca 0.01 -1.96 -0.38 0.00 0.87 0.00 0.00 54.58 53.13 1a3f n ASN 109 Cb 0.24 -0.30 -0.06 0.00 -1.02 0.00 0.00 39.78 38.64 1a3f n ASN 109 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1a3f s TYR 110 N -1.40 3.50 -1.18 3.10 5.04 -0.68 0.09 117.35 125.81 1a3f s TYR 110 Ca 0.35 0.85 -0.07 0.00 -2.44 0.00 0.00 57.07 55.76 1a3f s TYR 110 Cb 0.18 -2.54 -0.02 0.00 0.35 0.00 0.00 41.96 39.93 1a3f s TYR 110 CO 0.25 0.16 0.81 -1.71 -1.34 0.00 0.00 175.55 173.72 1a3f n ASN 111 N 3.74 -3.82 -4.78 4.32 4.05 0.45 -4.96 115.26 114.27 1a3f n ASN 111 Ca -0.07 -0.82 -0.24 0.00 0.45 0.00 0.00 54.58 53.89 1a3f n ASN 111 Cb 0.52 -4.31 0.08 0.00 1.23 0.00 0.00 39.78 37.30 1a3f n ASN 111 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 1a3f s ILE 112 N -3.51 2.30 -0.70 -1.44 -4.36 -1.26 -5.01 121.20 107.22 1a3f s ILE 112 Ca 0.25 -0.45 -0.27 0.00 -0.26 0.00 0.00 60.65 59.92 1a3f s ILE 112 Cb -0.06 -2.85 0.03 0.00 1.25 0.00 0.00 42.46 40.84 1a3f s ILE 112 CO 0.80 0.00 1.22 -0.62 0.24 0.00 0.00 174.94 176.58 1a3f s ASP 113 N -4.60 6.21 0.11 4.36 2.15 -1.26 -4.89 116.67 118.75 1a3f s ASP 113 Ca 0.63 -0.41 -0.29 0.00 0.43 0.00 0.00 52.55 52.90 1a3f s ASP 113 Cb -0.08 -2.54 -0.09 0.00 -0.30 0.00 0.00 42.92 39.91 1a3f s ASP 113 CO 0.44 -1.72 1.61 -0.07 -0.17 0.00 0.00 175.17 175.26 1a3f h LEU 114 N 12.60 -0.97 -0.12 -1.34 3.38 -1.94 0.69 115.31 127.60 1a3f h LEU 114 Ca -0.28 0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.85 1a3f h LEU 114 Cb 1.05 0.36 -0.06 0.00 0.09 0.00 0.00 40.66 42.10 1a3f h LEU 114 CO 1.25 -0.43 -0.34 0.11 0.09 0.00 0.00 178.44 179.12 1a3f h LYS 115 N -0.59 -0.40 -0.45 1.13 1.57 -1.90 0.77 116.57 116.69 1a3f h LYS 115 Ca 0.02 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1a3f h LYS 115 Cb 0.60 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 1a3f h LYS 115 CO -0.18 -0.27 0.29 0.00 -0.57 0.00 0.00 179.45 178.73 1a3f h ALA 116 N 0.35 0.57 -0.01 3.86 0.00 -1.94 -3.29 119.26 118.80 1a3f h ALA 116 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1a3f h ALA 116 Cb 0.56 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1a3f h ALA 116 CO -0.36 0.01 -0.56 0.54 0.00 0.00 0.00 179.25 178.88 1a3f n ARG 117 N -4.78 0.99 -4.53 0.00 1.74 0.22 -4.95 116.66 105.35 1a3f n ARG 117 Ca 0.02 -0.82 -0.26 0.00 -0.77 0.00 0.00 57.85 56.02 1a3f n ARG 117 Cb 0.03 -1.48 -0.17 0.00 -1.02 0.00 0.00 32.46 29.82 1a3f n ARG 117 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11