#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 0.58 -0.33 -4.53 5.85 -1.48 -1.89 115.31 113.50 1a3f h LEU 2 Ca 0.00 0.10 -0.15 0.00 0.84 0.00 0.00 57.88 58.67 1a3f h LEU 2 Cb 0.00 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1a3f h LEU 2 CO 0.00 0.13 -0.39 1.88 -0.34 0.00 0.00 178.44 179.72 1a3f h TYR 3 N 0.52 1.03 -0.27 1.25 0.05 -1.99 -2.26 116.97 115.30 1a3f h TYR 3 Ca 0.61 -0.32 -0.07 0.00 0.05 0.00 0.00 58.73 59.00 1a3f h TYR 3 Cb 1.30 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.81 1a3f h TYR 3 CO -0.00 1.13 -0.12 1.96 -1.05 0.00 0.00 178.16 180.07 1a3f h GLN 4 N 0.64 0.44 -0.19 4.88 4.20 -1.82 -1.51 115.11 121.75 1a3f h GLN 4 Ca 0.05 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 1a3f h GLN 4 Cb 0.98 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 1a3f h GLN 4 CO 0.09 0.57 -0.06 0.35 -0.67 0.00 0.00 178.83 179.11 1a3f h PHE 5 N 0.41 0.42 -0.98 2.96 3.57 -1.25 -2.13 116.94 119.95 1a3f h PHE 5 Ca 0.08 -0.09 0.13 0.00 3.53 0.00 0.00 57.97 61.62 1a3f h PHE 5 Cb 0.46 -0.10 -0.09 0.00 2.79 0.00 0.00 35.95 39.01 1a3f h PHE 5 CO 0.01 0.64 0.60 -0.22 -2.23 0.00 0.00 178.31 177.11 1a3f h LYS 6 N 0.09 0.88 0.00 1.11 3.64 -0.97 0.22 116.57 121.53 1a3f h LYS 6 Ca 0.05 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1a3f h LYS 6 Cb 0.51 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1a3f h LYS 6 CO 0.02 0.58 0.00 -0.91 -2.27 0.00 0.00 179.45 176.87 1a3f h ASN 7 N 0.91 0.00 0.11 4.20 2.35 -0.95 -2.54 115.58 119.66 1a3f h ASN 7 Ca 0.50 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 56.06 1a3f h ASN 7 Cb 0.57 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.96 1a3f h ASN 7 CO -0.29 0.00 -0.83 0.24 -1.65 0.00 0.00 177.43 174.90 1a3f h MET 8 N 0.00 0.36 0.00 0.81 2.86 -0.30 -2.68 114.93 115.98 1a3f h MET 8 Ca 0.00 -0.54 -0.03 0.00 -2.06 0.00 0.00 59.70 57.07 1a3f h MET 8 Cb 0.59 0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.43 1a3f h MET 8 CO 0.00 1.23 -0.13 0.82 1.06 0.00 0.00 176.91 179.89 1a3f h ILE 9 N -0.24 0.95 -0.31 -1.22 5.03 -1.37 -0.83 117.51 119.53 1a3f h ILE 9 Ca -0.14 -0.46 -0.15 0.00 -0.12 0.00 0.00 64.86 63.99 1a3f h ILE 9 Cb 1.61 1.26 -0.01 0.00 -3.03 0.00 0.00 36.82 36.65 1a3f h ILE 9 CO 0.16 0.13 -0.42 0.50 -0.68 0.00 0.00 178.15 177.83 1a3f h LYS 10 N 0.00 0.78 -0.06 2.37 1.63 -1.44 0.39 116.57 120.25 1a3f h LYS 10 Ca -0.00 -0.42 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 1a3f h LYS 10 Cb 0.25 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.90 1a3f h LYS 10 CO 0.02 1.05 0.04 0.00 -3.45 0.00 0.00 179.45 177.11 1a3f h THR 12 N 0.06 0.91 -2.11 0.00 1.35 -1.34 -3.35 112.91 108.42 1a3f h THR 12 Ca 0.02 -2.57 -0.55 0.00 -0.55 0.00 0.00 66.41 62.76 1a3f h THR 12 Cb 0.02 2.38 -0.41 0.00 -1.73 0.00 0.00 68.15 68.42 1a3f h THR 12 CO -0.00 0.52 -0.91 0.52 -0.25 0.00 0.00 175.52 175.39 1a3f n VAL 13 N -3.08 1.07 -0.22 6.82 0.31 0.14 -4.79 118.33 118.58 1a3f n VAL 13 Ca -0.09 -4.85 0.10 0.00 -0.01 0.00 0.00 64.34 59.49 1a3f n VAL 13 Cb 0.93 -1.31 0.39 0.00 -0.91 0.00 0.00 33.84 32.93 1a3f n VAL 13 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1a3f h PRO 14 N 3.46 0.65 0.00 5.55 0.13 -1.57 -0.74 132.00 139.48 1a3f h PRO 14 Ca 0.12 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.20 1a3f h PRO 14 Cb 0.76 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.75 1a3f h PRO 14 CO 0.64 0.43 -0.06 0.66 -0.23 0.00 0.00 178.00 179.44 1a3f h SER 15 N 0.67 0.00 -3.02 1.44 4.64 -1.91 -3.44 113.55 111.93 1a3f h SER 15 Ca 0.38 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 61.08 1a3f h SER 15 Cb 0.55 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.53 1a3f h SER 15 CO -0.15 0.06 -0.65 -0.13 -0.87 0.00 0.00 176.83 175.09 1a3f s ARG 16 N -4.27 2.50 0.11 4.77 0.52 -0.28 -5.10 118.95 117.19 1a3f s ARG 16 Ca -0.03 -1.00 -0.25 0.00 -0.52 0.00 0.00 55.73 53.93 1a3f s ARG 16 Cb 0.13 -2.44 -0.07 0.00 0.52 0.00 0.00 34.95 33.09 1a3f s ARG 16 CO 0.55 0.48 0.77 0.45 0.02 0.00 0.00 175.30 177.57 1a3f s SER 17 N -2.76 7.31 0.63 0.23 0.15 -1.26 -4.88 113.70 113.13 1a3f s SER 17 Ca 0.27 1.56 0.35 0.00 0.70 0.00 0.00 55.95 58.83 1a3f s SER 17 Cb -0.10 -2.48 1.96 0.00 -1.71 0.00 0.00 66.02 63.68 1a3f s SER 17 CO 0.19 0.13 2.19 -0.25 1.20 0.00 0.00 173.24 176.70 1a3f h TRP 18 N 4.88 0.00 0.00 3.44 2.91 -1.94 0.34 115.95 125.58 1a3f h TRP 18 Ca -0.46 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.55 1a3f h TRP 18 Cb 1.21 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.85 1a3f h TRP 18 CO 0.65 0.00 -0.07 -1.49 -1.03 0.00 0.00 178.44 176.50 1a3f h TRP 19 N 0.00 0.00 -0.12 2.65 4.06 -2.00 -2.75 115.95 117.79 1a3f h TRP 19 Ca 0.03 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.89 1a3f h TRP 19 Cb 0.27 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.41 1a3f h TRP 19 CO 0.00 0.07 -0.33 -0.44 -3.56 0.00 0.00 178.44 174.18 1a3f h ASP 20 N 0.00 0.24 -0.09 -3.49 3.32 -0.71 -2.70 116.42 112.99 1a3f h ASP 20 Ca -0.00 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1a3f h ASP 20 Cb 0.59 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1a3f h ASP 20 CO 0.01 0.56 0.00 0.49 -1.72 0.00 0.00 179.24 178.58 1a3f n PHE 21 N -4.10 0.09 0.53 4.55 3.72 -1.05 -4.32 117.46 116.89 1a3f n PHE 21 Ca -0.01 -0.05 0.13 0.00 -0.05 0.00 0.00 57.45 57.47 1a3f n PHE 21 Cb 0.42 0.00 0.32 0.00 -0.94 0.00 0.00 39.48 39.27 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 4.41 0.92 -0.89 4.37 0.00 -1.41 -3.33 119.26 123.34 1a3f h ALA 22 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 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 -0.77 -3.47 0.00 0.00 0.00 179.25 175.01 1a3f n ASP 23 N -2.40 -1.50 -4.05 0.00 2.03 -1.23 -3.88 116.55 105.52 1a3f n ASP 23 Ca 0.05 -3.06 -0.24 0.00 0.52 0.00 0.00 54.79 52.06 1a3f n ASP 23 Cb 0.45 0.75 -0.16 0.00 -0.72 0.00 0.00 41.12 41.44 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 -0.19 1.41 0.00 -0.67 6.14 -1.02 -0.37 117.35 122.65 1a3f s TYR 24 Ca 0.33 -0.45 0.00 0.00 0.64 0.00 0.00 57.07 57.60 1a3f s TYR 24 Cb 0.21 -1.00 0.00 0.00 0.42 0.00 0.00 41.96 41.59 1a3f s TYR 24 CO -0.18 -0.20 0.00 0.41 0.64 0.00 0.00 175.55 176.22 1a3f n GLY 25 N 3.48 1.03 0.04 8.97 0.00 0.88 -1.51 105.19 118.07 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 -2.06 0.00 -2.31 0.00 4.02 -1.25 -3.15 117.16 112.40 1a3f n TYR 27 Ca 0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.47 1a3f n TYR 27 Cb 0.46 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.76 1a3f n TYR 27 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1a3f n GLY 29 N 4.47 0.83 0.00 0.00 0.00 -1.25 -2.44 105.19 106.80 1a3f n GLY 29 Ca 0.16 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 0.65 -1.40 1.61 3.00 -1.26 -5.04 116.66 114.22 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 4.92 -2.62 0.00 -0.13 0.00 -1.19 -4.61 105.19 101.56 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 -1.72 0.60 3.21 -0.02 0.00 -1.24 -4.74 105.19 101.28 1a3f n GLY 32 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 1.76 0.00 1.61 0.01 -1.26 -5.07 113.70 110.74 1a3f s SER 33 Ca 0.00 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.47 1a3f s SER 33 Cb 0.00 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.19 1a3f s SER 33 CO 0.00 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.08 1a3f n GLY 34 N 0.62 0.20 2.92 3.44 0.00 0.51 -4.51 105.19 108.37 1a3f n GLY 34 Ca -0.16 -1.96 -0.13 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.03 -0.07 2.61 2.01 -1.26 -4.71 115.64 114.19 1a3f s THR 35 Ca 0.00 0.12 -0.40 0.00 0.31 0.00 0.00 61.69 61.73 1a3f s THR 35 Cb 0.00 -0.18 -0.18 0.00 0.01 0.00 0.00 72.50 72.15 1a3f s THR 35 CO 0.00 0.05 1.33 -2.65 -0.69 0.00 0.00 174.62 172.66 1a3f n PRO 36 N 3.80 0.59 0.18 4.92 -0.02 -1.26 -4.80 135.00 138.40 1a3f n PRO 36 Ca -0.22 0.21 0.06 0.00 -2.02 0.00 0.00 63.50 61.54 1a3f n PRO 36 Cb 0.54 -1.79 0.23 0.00 -0.02 0.00 0.00 33.50 32.46 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 3.67 0.70 -2.76 -1.45 -1.51 -1.96 -3.47 116.25 109.47 1a3f h VAL 37 Ca -0.48 -1.66 -0.06 0.00 -1.23 0.00 0.00 66.70 63.27 1a3f h VAL 37 Cb 1.37 2.10 -0.01 0.00 -2.13 0.00 0.00 31.29 32.63 1a3f h VAL 37 CO 0.78 0.35 0.09 -0.90 -1.23 0.00 0.00 177.57 176.66 1a3f n ASP 38 N -3.32 -1.21 0.14 4.19 5.68 -1.26 -5.02 116.55 115.75 1a3f n ASP 38 Ca 0.01 -2.00 -0.14 0.00 -0.50 0.00 0.00 54.79 52.16 1a3f n ASP 38 Cb 0.58 2.07 -0.07 0.00 -1.14 0.00 0.00 41.12 42.56 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 1.18 -1.11 -0.93 -1.12 3.32 -1.91 -1.17 116.42 114.67 1a3f h ASP 39 Ca -0.19 0.12 0.12 0.00 0.02 0.00 0.00 57.03 57.10 1a3f h ASP 39 Cb 0.73 0.41 -0.08 0.00 0.22 0.00 0.00 39.33 40.61 1a3f h ASP 39 CO 0.24 -0.47 0.56 0.25 -1.72 0.00 0.00 179.24 178.10 1a3f h LEU 40 N -0.65 0.79 -1.68 1.55 5.85 -1.89 0.18 115.31 119.46 1a3f h LEU 40 Ca 0.02 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1a3f h LEU 40 Cb 0.66 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1a3f h LEU 40 CO -0.20 0.42 -0.19 -0.78 -0.34 0.00 0.00 178.44 177.35 1a3f h ASP 41 N 0.88 0.00 -0.27 1.25 3.58 -1.80 -1.33 116.42 118.72 1a3f h ASP 41 Ca 0.47 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.72 1a3f h ASP 41 Cb 0.49 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.54 1a3f h ASP 41 CO -0.28 0.19 -0.57 -0.09 -2.88 0.00 0.00 179.24 175.61 1a3f h ARG 42 N 0.00 0.88 -0.26 0.28 9.65 0.56 -2.27 114.38 123.22 1a3f h ARG 42 Ca -0.00 -0.57 0.05 0.00 -1.10 0.00 0.00 59.98 58.36 1a3f h ARG 42 Cb 0.36 0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.97 1a3f h ARG 42 CO 0.02 1.20 -0.08 0.00 2.80 0.00 0.00 179.97 183.92 1a3f h GLN 45 N 1.19 0.32 -0.86 0.00 4.15 -0.31 -0.90 115.11 118.69 1a3f h GLN 45 Ca 0.31 -0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.69 1a3f h GLN 45 Cb -0.05 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.54 1a3f h GLN 45 CO -0.06 0.39 0.56 0.28 -1.93 0.00 0.00 178.83 178.08 1a3f h VAL 46 N 0.19 1.17 -0.66 2.39 2.07 -0.22 -1.74 116.25 119.45 1a3f h VAL 46 Ca 0.07 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.23 1a3f h VAL 46 Cb 0.19 -0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 29.88 1a3f h VAL 46 CO -0.00 0.20 0.42 -0.74 0.02 0.00 0.00 177.57 177.47 1a3f h HIS 47 N 1.12 0.80 -0.18 1.57 -0.00 -0.83 -0.02 115.15 117.61 1a3f h HIS 47 Ca 0.33 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.73 1a3f h HIS 47 Cb -0.05 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.08 1a3f h HIS 47 CO -0.02 0.48 0.09 0.22 -0.00 0.00 0.00 177.93 178.70 1a3f h ASP 48 N 0.85 0.14 0.28 3.26 1.82 -0.72 0.64 116.42 122.67 1a3f h ASP 48 Ca 0.25 0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.86 1a3f h ASP 48 Cb -0.04 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 39.95 1a3f h ASP 48 CO -0.08 0.11 -0.21 0.78 -1.61 0.00 0.00 179.24 178.22 1a3f h ASN 49 N 0.19 0.00 -0.22 2.28 2.35 -0.88 -1.87 115.58 117.44 1a3f h ASN 49 Ca 0.07 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 1a3f h ASN 49 Cb 0.01 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 1a3f h ASN 49 CO -0.05 0.21 -0.20 0.00 -1.65 0.00 0.00 177.43 175.74 1a3f h TYR 51 N 0.21 1.16 -0.72 0.00 -1.99 -0.52 -2.10 116.97 113.02 1a3f h TYR 51 Ca 0.04 -0.05 0.08 0.00 2.00 0.00 0.00 58.73 60.80 1a3f h TYR 51 Cb 0.75 -0.36 -0.07 0.00 2.00 0.00 0.00 36.73 39.05 1a3f h TYR 51 CO 0.08 0.83 0.39 -0.91 -0.00 0.00 0.00 178.16 178.55 1a3f h ASN 52 N 1.16 0.55 -0.47 3.88 2.35 -1.18 -1.48 115.58 120.38 1a3f h ASN 52 Ca 0.28 0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 56.02 1a3f h ASN 52 Cb 0.10 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1a3f h ASN 52 CO -0.04 0.33 0.06 -0.33 -1.65 0.00 0.00 177.43 175.80 1a3f h GLU 53 N 0.68 0.79 0.00 0.81 3.07 -1.25 -2.84 114.58 115.85 1a3f h GLU 53 Ca 0.34 -0.22 -0.03 0.00 -0.50 0.00 0.00 59.36 58.95 1a3f h GLU 53 Cb 0.30 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.11 1a3f h GLU 53 CO -0.23 0.81 -0.13 0.00 -1.40 0.00 0.00 179.01 178.05 1a3f h ALA 54 N 0.95 1.50 0.00 3.43 0.00 -0.66 -1.26 119.26 123.22 1a3f h ALA 54 Ca 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1a3f h ALA 54 Cb 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1a3f h ALA 54 CO 0.01 0.17 0.00 0.39 0.00 0.00 0.00 179.25 179.82 1a3f n GLU 55 N -3.97 0.23 0.00 0.00 1.02 -0.64 -2.44 120.64 114.83 1a3f n GLU 55 Ca -0.02 0.34 0.07 0.00 -0.02 0.00 0.00 57.16 57.53 1a3f n GLU 55 Cb 0.22 -1.85 0.33 0.00 -0.02 0.00 0.00 31.44 30.12 1a3f n GLU 55 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1a3f n LYS 56 N -2.26 0.02 -3.22 3.49 5.02 -0.48 -4.52 118.16 116.21 1a3f n LYS 56 Ca 0.04 0.23 -0.39 0.00 -2.02 0.00 0.00 58.31 56.16 1a3f n LYS 56 Cb 0.32 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.76 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 -2.96 5.10 -0.08 -0.18 1.01 -1.02 -5.00 121.20 118.07 1a3f s ILE 57 Ca 0.08 1.03 -0.33 0.00 0.00 0.00 0.00 60.65 61.43 1a3f s ILE 57 Cb 0.10 -3.87 -0.11 0.00 0.01 0.00 0.00 42.46 38.59 1a3f s ILE 57 CO 0.27 0.20 1.94 -0.24 0.00 0.00 0.00 174.94 177.11 1a3f n SER 58 N 4.56 3.56 0.00 3.58 2.88 -1.26 -1.39 113.62 125.55 1a3f n SER 58 Ca -0.04 0.89 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 1a3f n SER 58 Cb 0.51 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 1a3f n SER 58 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a3f n GLY 59 N 4.62 0.65 3.38 0.46 0.00 -1.26 -5.04 105.19 108.00 1a3f n GLY 59 Ca 0.23 -0.37 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 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 1.61 3.32 0.21 0.00 0.51 -1.26 -4.44 118.94 118.89 1a3f s TRP 61 Ca 0.04 -2.99 -0.01 0.00 -2.12 0.00 0.00 56.10 51.02 1a3f s TRP 61 Cb -0.24 -2.97 0.46 0.00 -0.81 0.00 0.00 33.47 29.91 1a3f s TRP 61 CO 0.06 -0.80 1.11 -2.30 -0.51 0.00 0.00 176.95 174.51 1a3f n PRO 62 N 3.37 -0.06 0.04 4.98 -0.02 -1.26 -1.45 135.00 140.60 1a3f n PRO 62 Ca 0.06 1.08 0.12 0.00 -2.02 0.00 0.00 63.50 62.74 1a3f n PRO 62 Cb 0.35 -1.67 0.50 0.00 -0.02 0.00 0.00 33.50 32.66 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 -5.04 0.32 -0.04 6.00 4.01 -1.26 -3.44 117.16 117.71 1a3f n TYR 63 Ca 0.15 0.10 0.01 0.00 -0.16 0.00 0.00 57.90 57.99 1a3f n TYR 63 Cb 0.47 -0.67 -0.14 0.00 -0.31 0.00 0.00 39.34 38.70 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 -1.77 0.00 -2.03 -0.72 3.72 -0.53 -1.42 117.46 114.70 1a3f n PHE 64 Ca 0.06 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.03 1a3f n PHE 64 Cb 0.33 -0.62 -0.03 0.00 -0.94 0.00 0.00 39.48 38.22 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 -2.85 3.85 0.00 -1.08 2.47 -0.72 -4.69 119.74 116.71 1a3f s LYS 65 Ca -0.07 1.85 -0.24 0.00 -1.56 0.00 0.00 55.97 55.94 1a3f s LYS 65 Cb 0.08 -4.05 -0.05 0.00 -1.46 0.00 0.00 37.83 32.35 1a3f s LYS 65 CO 0.72 -1.24 0.74 0.99 0.16 0.00 0.00 175.35 176.73 1a3f s THR 66 N 5.14 4.86 0.38 3.43 2.01 -1.26 0.20 115.64 130.40 1a3f s THR 66 Ca 0.75 1.56 0.01 0.00 0.31 0.00 0.00 61.69 64.32 1a3f s THR 66 Cb -0.28 -4.09 -0.00 0.00 0.01 0.00 0.00 72.50 68.14 1a3f s THR 66 CO 0.30 0.32 0.04 0.00 -0.69 0.00 0.00 174.62 174.59 1a3f n TYR 67 N 3.19 0.64 -4.47 4.92 0.18 -1.26 -4.82 117.16 115.53 1a3f n TYR 67 Ca -0.02 -2.03 -0.33 0.00 1.88 0.00 0.00 57.90 57.40 1a3f n TYR 67 Cb 0.51 -0.17 -0.16 0.00 -0.38 0.00 0.00 39.34 39.14 1a3f n TYR 67 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1a3f s SER 68 N -3.14 3.52 0.36 9.48 0.15 -1.26 -4.95 113.70 117.86 1a3f s SER 68 Ca 0.06 -0.51 -0.12 0.00 0.70 0.00 0.00 55.95 56.07 1a3f s SER 68 Cb 0.00 -1.54 0.04 0.00 -1.71 0.00 0.00 66.02 62.81 1a3f s SER 68 CO 0.04 0.07 0.69 -0.72 1.20 0.00 0.00 173.24 174.52 1a3f s TYR 69 N 0.91 0.36 -0.14 3.44 1.13 -1.26 -1.20 117.35 120.60 1a3f s TYR 69 Ca -0.04 -0.90 -0.13 0.00 -1.41 0.00 0.00 57.07 54.60 1a3f s TYR 69 Cb -0.15 0.56 0.04 0.00 -1.10 0.00 0.00 41.96 41.31 1a3f s TYR 69 CO -0.02 -1.42 0.37 -1.83 -2.51 0.00 0.00 175.55 170.14 1a3f s GLU 70 N -2.67 0.42 -0.21 -3.49 -1.05 -0.01 -4.91 118.70 106.79 1a3f s GLU 70 Ca 0.19 0.52 -0.05 0.00 -0.15 0.00 0.00 54.97 55.48 1a3f s GLU 70 Cb -0.04 0.20 -0.02 0.00 -0.44 0.00 0.00 34.13 33.83 1a3f s GLU 70 CO 0.13 -0.05 0.01 0.00 0.95 0.00 0.00 175.26 176.30 1a3f s SER 72 N 1.11 3.52 -0.73 0.00 0.15 0.65 -4.92 113.70 113.48 1a3f s SER 72 Ca 0.03 -2.99 -0.01 0.00 0.70 0.00 0.00 55.95 53.68 1a3f s SER 72 Cb -0.14 -1.08 0.00 0.00 -1.71 0.00 0.00 66.02 63.09 1a3f s SER 72 CO 0.02 -0.21 0.68 0.00 1.20 0.00 0.00 173.24 174.93 1a3f n GLN 73 N 3.06 -1.41 -0.88 5.44 3.00 -1.26 -2.28 117.38 123.04 1a3f n GLN 73 Ca 0.15 1.48 0.00 0.00 -0.01 0.00 0.00 57.00 58.61 1a3f n GLN 73 Cb 0.37 -5.43 0.00 0.00 0.00 0.00 0.00 30.24 25.18 1a3f n GLN 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1a3f n GLY 74 N -1.65 0.37 3.18 1.08 0.00 -1.26 -4.98 105.19 101.94 1a3f n GLY 74 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.97 2.40 -0.07 2.61 2.01 -0.97 -4.75 115.64 114.89 1a3f s THR 75 Ca 0.00 -0.83 -0.10 0.00 0.31 0.00 0.00 61.69 61.07 1a3f s THR 75 Cb 0.00 -2.02 -0.05 0.00 0.01 0.00 0.00 72.50 70.44 1a3f s THR 75 CO 0.00 0.51 0.24 -0.76 -0.69 0.00 0.00 174.62 173.92 1a3f s LEU 76 N 1.21 4.42 -0.09 4.42 1.43 -1.26 -0.26 118.68 128.56 1a3f s LEU 76 Ca 0.03 0.65 -0.05 0.00 -1.03 0.00 0.00 54.13 53.72 1a3f s LEU 76 Cb -0.14 -2.27 0.04 0.00 0.03 0.00 0.00 46.19 43.85 1a3f s LEU 76 CO -0.08 0.38 0.22 -0.89 0.23 0.00 0.00 176.35 176.20 1a3f s THR 77 N -1.06 -0.03 -0.13 5.49 2.01 -0.54 -4.99 115.64 116.40 1a3f s THR 77 Ca 0.18 0.11 -0.13 0.00 0.31 0.00 0.00 61.69 62.16 1a3f s THR 77 Cb -0.14 -0.33 -0.05 0.00 0.01 0.00 0.00 72.50 71.99 1a3f s THR 77 CO 0.08 0.04 0.30 0.00 -0.69 0.00 0.00 174.62 174.35 1a3f s LYS 79 N 0.05 3.39 0.40 0.00 1.02 -0.34 -4.96 119.74 119.30 1a3f s LYS 79 Ca 0.18 0.16 0.20 0.00 0.02 0.00 0.00 55.97 56.53 1a3f s LYS 79 Cb -0.14 -2.34 0.82 0.00 -0.52 0.00 0.00 37.83 35.65 1a3f s LYS 79 CO 0.06 -0.34 1.80 0.78 -0.92 0.00 0.00 175.35 176.73 1a3f h GLY 80 N 0.11 0.00 -4.22 -3.33 0.00 -1.98 -3.33 103.07 90.32 1a3f h GLY 80 Ca -0.46 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.75 1a3f h GLY 80 CO 0.61 0.00 -0.11 2.09 0.00 0.00 0.00 176.54 179.14 1a3f n ASP 81 N -3.57 3.64 -4.14 0.19 5.75 -1.26 -4.76 116.55 112.40 1a3f n ASP 81 Ca -0.01 -2.16 -0.21 0.00 -0.01 0.00 0.00 54.79 52.40 1a3f n ASP 81 Cb 0.45 -0.97 -0.14 0.00 -1.03 0.00 0.00 41.12 39.44 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 2.28 1.71 0.98 -1.12 0.01 -1.25 -4.74 114.94 112.81 1a3f s ASN 82 Ca 0.42 -0.40 -0.13 0.00 -0.71 0.00 0.00 52.86 52.05 1a3f s ASN 82 Cb 0.20 -0.14 0.18 0.00 0.41 0.00 0.00 41.25 41.90 1a3f s ASN 82 CO 0.00 0.08 1.05 -0.46 -1.51 0.00 0.00 177.10 176.26 1a3f n ASN 83 N 2.14 0.13 -0.25 -1.22 6.94 -1.26 -4.63 115.26 117.11 1a3f n ASN 83 Ca -0.17 -1.41 -0.00 0.00 -0.02 0.00 0.00 54.58 52.98 1a3f n ASN 83 Cb 0.55 -0.80 0.12 0.00 -2.36 0.00 0.00 39.78 37.29 1a3f n ASN 83 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1a3f h ALA 84 N -1.78 0.98 0.21 -2.53 0.00 -1.99 0.14 119.26 114.30 1a3f h ALA 84 Ca -0.34 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1a3f h ALA 84 Cb 0.95 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1a3f h ALA 84 CO 0.24 0.09 -0.10 0.00 0.00 0.00 0.00 179.25 179.48 1a3f h ALA 86 N 0.21 0.90 -0.43 0.00 0.00 -1.82 -1.08 119.26 117.04 1a3f h ALA 86 Ca -0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1a3f h ALA 86 Cb 0.39 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1a3f h ALA 86 CO 0.05 0.13 0.24 0.00 0.00 0.00 0.00 179.25 179.66 1a3f h ALA 87 N 1.32 0.55 -0.30 0.00 0.00 -0.64 -1.02 119.26 119.18 1a3f h ALA 87 Ca 0.29 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 1a3f h ALA 87 Cb 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1a3f h ALA 87 CO -0.14 0.08 -0.38 0.77 0.00 0.00 0.00 179.25 179.57 1a3f h SER 88 N 0.57 0.74 -0.18 0.00 0.02 -0.85 -2.60 113.55 111.25 1a3f h SER 88 Ca 0.15 -0.33 -0.14 0.00 -0.84 0.00 0.00 61.79 60.64 1a3f h SER 88 Cb 0.05 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.38 1a3f h SER 88 CO -0.03 1.04 -0.44 0.58 -1.14 0.00 0.00 176.83 176.84 1a3f h VAL 89 N 0.58 1.33 -0.75 2.27 2.07 -1.03 -2.63 116.25 118.09 1a3f h VAL 89 Ca 0.05 -1.69 0.07 0.00 0.82 0.00 0.00 66.70 65.95 1a3f h VAL 89 Cb 0.91 1.92 -0.06 0.00 -1.52 0.00 0.00 31.29 32.54 1a3f h VAL 89 CO 0.08 0.52 0.43 0.00 0.02 0.00 0.00 177.57 178.63 1a3f h ASP 91 N 0.78 0.84 -0.28 0.00 3.58 -1.40 0.36 116.42 120.29 1a3f h ASP 91 Ca 0.34 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.76 1a3f h ASP 91 Cb 0.22 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 1a3f h ASP 91 CO -0.19 0.60 0.14 0.00 -2.88 0.00 0.00 179.24 176.91 1a3f h ASP 93 N 0.33 -0.08 -0.77 0.00 5.19 -0.81 -1.58 116.42 118.71 1a3f h ASP 93 Ca 0.10 -0.23 0.12 0.00 -0.62 0.00 0.00 57.03 56.40 1a3f h ASP 93 Cb 0.09 0.02 -0.09 0.00 0.18 0.00 0.00 39.33 39.54 1a3f h ASP 93 CO -0.01 0.19 0.37 -0.09 -3.12 0.00 0.00 179.24 176.57 1a3f h ARG 94 N -0.34 0.55 0.00 3.56 2.43 -0.28 -1.32 114.38 118.98 1a3f h ARG 94 Ca -0.01 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.02 1a3f h ARG 94 Cb 0.30 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1a3f h ARG 94 CO 0.02 0.36 -0.53 -0.07 -1.51 0.00 0.00 179.97 178.24 1a3f h LEU 95 N 0.57 0.00 -0.31 3.80 3.38 -1.23 -2.86 115.31 118.66 1a3f h LEU 95 Ca 0.40 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.18 1a3f h LEU 95 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1a3f h LEU 95 CO -0.34 0.53 -0.61 0.00 0.09 0.00 0.00 178.44 178.11 1a3f h ALA 96 N 1.47 0.48 -0.50 1.53 0.00 -0.24 -1.58 119.26 120.42 1a3f h ALA 96 Ca -0.01 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1a3f h ALA 96 Cb 0.98 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1a3f h ALA 96 CO 0.07 0.69 0.22 0.00 0.00 0.00 0.00 179.25 180.23 1a3f h ALA 97 N 0.72 0.64 -0.61 0.00 0.00 -1.25 0.55 119.26 119.32 1a3f h ALA 97 Ca -0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1a3f h ALA 97 Cb 1.21 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1a3f h ALA 97 CO 0.13 0.23 0.05 0.82 0.00 0.00 0.00 179.25 180.48 1a3f h ILE 98 N 0.66 1.26 -0.12 0.00 2.04 -1.48 -2.08 117.51 117.79 1a3f h ILE 98 Ca 0.17 -1.08 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 1a3f h ILE 98 Cb 0.16 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1a3f h ILE 98 CO -0.02 0.39 0.08 0.00 0.00 0.00 0.00 178.15 178.60 1a3f h PHE 100 N 0.14 0.84 0.00 0.00 -1.00 -0.70 -2.35 116.94 113.87 1a3f h PHE 100 Ca 0.04 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.85 1a3f h PHE 100 Cb 0.01 -0.25 -0.00 0.00 3.61 0.00 0.00 35.95 39.32 1a3f h PHE 100 CO -0.06 0.29 -0.05 0.00 -1.61 0.00 0.00 178.31 176.88 1a3f h ALA 101 N 1.50 1.76 -0.10 2.45 0.00 -0.99 -2.79 119.26 121.08 1a3f h ALA 101 Ca 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1a3f h ALA 101 Cb 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1a3f h ALA 101 CO -0.29 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.43 1a3f n GLY 102 N -1.31 0.51 3.66 0.00 0.00 -0.93 -4.94 105.19 102.19 1a3f n GLY 102 Ca -0.03 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.19 3.53 0.51 4.61 0.00 -0.95 -5.08 121.76 123.19 1a3f s ALA 103 Ca 0.20 -0.78 -0.22 0.00 0.00 0.00 0.00 51.96 51.15 1a3f s ALA 103 Cb 0.13 -2.11 -0.06 0.00 0.00 0.00 0.00 23.12 21.08 1a3f s ALA 103 CO 0.19 0.05 1.31 -1.25 0.00 0.00 0.00 175.76 176.05 1a3f s PRO 104 N 0.60 3.39 -0.37 0.00 0.04 -1.26 -4.86 135.00 132.53 1a3f s PRO 104 Ca 0.06 2.12 -0.10 0.00 0.04 0.00 0.00 61.00 63.11 1a3f s PRO 104 Cb -0.12 -2.35 0.03 0.00 0.04 0.00 0.00 34.50 32.10 1a3f s PRO 104 CO 0.01 -0.96 0.20 -0.47 0.04 0.00 0.00 177.00 175.82 1a3f s TYR 105 N -1.36 3.25 -0.36 0.56 6.14 -1.26 -4.47 117.35 119.85 1a3f s TYR 105 Ca 0.68 -1.05 -0.16 0.00 0.64 0.00 0.00 57.07 57.18 1a3f s TYR 105 Cb -0.37 -2.44 -0.00 0.00 0.42 0.00 0.00 41.96 39.57 1a3f s TYR 105 CO 0.45 -0.67 0.41 1.21 0.64 0.00 0.00 175.55 177.59 1a3f s ASN 106 N 1.55 6.21 0.30 4.32 3.84 -1.26 -4.98 114.94 124.92 1a3f s ASN 106 Ca 0.01 -0.32 0.05 0.00 0.21 0.00 0.00 52.86 52.82 1a3f s ASN 106 Cb -0.19 -2.22 0.77 0.00 -0.55 0.00 0.00 41.25 39.06 1a3f s ASN 106 CO 0.06 -0.43 1.71 0.44 -2.79 0.00 0.00 177.10 176.09 1a3f h ASP 107 N 8.54 0.47 0.90 -4.21 3.32 -1.97 -0.17 116.42 123.29 1a3f h ASP 107 Ca -0.29 0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1a3f h ASP 107 Cb 1.13 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1a3f h ASP 107 CO 0.74 0.05 0.00 0.78 -1.72 0.00 0.00 179.24 179.09 1a3f h ASN 108 N 0.48 0.00 -0.35 6.45 2.35 -2.02 -2.37 115.58 120.12 1a3f h ASN 108 Ca 0.58 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.33 1a3f h ASN 108 Cb 1.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.46 1a3f h ASN 108 CO -0.50 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 175.87 1a3f n ASN 109 N -2.79 2.03 -4.71 5.81 4.13 -0.07 -4.77 115.26 114.88 1a3f n ASN 109 Ca 0.01 -1.95 -0.38 0.00 1.68 0.00 0.00 54.58 53.94 1a3f n ASN 109 Cb 0.27 -0.23 -0.06 0.00 -1.54 0.00 0.00 39.78 38.22 1a3f n ASN 109 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1a3f s TYR 110 N -1.53 3.50 -1.21 3.10 5.04 -0.89 -0.08 117.35 125.27 1a3f s TYR 110 Ca 0.27 0.92 -0.03 0.00 -2.44 0.00 0.00 57.07 55.80 1a3f s TYR 110 Cb 0.14 -2.60 -0.01 0.00 0.35 0.00 0.00 41.96 39.84 1a3f s TYR 110 CO 0.19 0.12 0.85 -1.71 -1.34 0.00 0.00 175.55 173.66 1a3f n ASN 111 N 3.83 -2.74 -4.63 4.32 2.85 0.50 -4.96 115.26 114.43 1a3f n ASN 111 Ca -0.06 -0.75 -0.25 0.00 -0.11 0.00 0.00 54.58 53.41 1a3f n ASN 111 Cb 0.51 -4.57 0.11 0.00 1.24 0.00 0.00 39.78 37.07 1a3f n ASN 111 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1a3f s ILE 112 N -3.50 2.18 -0.58 -1.44 -4.36 -1.26 -5.00 121.20 107.23 1a3f s ILE 112 Ca 0.12 -0.37 -0.26 0.00 -0.26 0.00 0.00 60.65 59.88 1a3f s ILE 112 Cb -0.02 -2.81 0.04 0.00 1.25 0.00 0.00 42.46 40.91 1a3f s ILE 112 CO 0.78 0.00 1.08 -0.62 0.24 0.00 0.00 174.94 176.41 1a3f s ASP 113 N -4.69 6.37 0.08 4.36 -1.08 -1.26 -4.90 116.67 115.54 1a3f s ASP 113 Ca 0.66 -0.18 -0.31 0.00 -0.52 0.00 0.00 52.55 52.20 1a3f s ASP 113 Cb -0.07 -2.50 -0.17 0.00 -1.46 0.00 0.00 42.92 38.73 1a3f s ASP 113 CO 0.46 -1.39 1.64 -0.07 0.52 0.00 0.00 175.17 176.33 1a3f h LEU 114 N 11.55 -0.73 -0.17 -1.34 3.38 -1.94 0.12 115.31 126.18 1a3f h LEU 114 Ca -0.26 0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.79 1a3f h LEU 114 Cb 1.06 0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.95 1a3f h LEU 114 CO 1.15 -0.48 -0.46 0.11 0.09 0.00 0.00 178.44 178.85 1a3f h LYS 115 N -0.77 -0.48 -0.96 1.13 1.57 -1.91 1.13 116.57 116.28 1a3f h LYS 115 Ca -0.07 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1a3f h LYS 115 Cb 0.62 0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.98 1a3f h LYS 115 CO 0.08 -0.32 0.63 0.00 -0.57 0.00 0.00 179.45 179.27 1a3f h ALA 116 N 0.03 1.25 0.00 3.86 0.00 -1.95 -3.25 119.26 119.19 1a3f h ALA 116 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1a3f h ALA 116 Cb 0.64 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1a3f h ALA 116 CO -0.43 0.55 -0.95 0.54 0.00 0.00 0.00 179.25 178.97 1a3f n ARG 117 N -4.45 0.84 -4.54 0.00 5.12 0.42 -4.95 116.66 109.11 1a3f n ARG 117 Ca 0.12 -0.01 -0.29 0.00 -1.93 0.00 0.00 57.85 55.74 1a3f n ARG 117 Cb 0.06 -1.38 -0.17 0.00 -1.16 0.00 0.00 32.46 29.81 1a3f n ARG 117 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70