#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 0.47 -0.17 -4.53 5.85 -1.48 -1.35 115.31 114.11 1a3f h LEU 2 Ca 0.00 0.07 -0.22 0.00 0.84 0.00 0.00 57.88 58.57 1a3f h LEU 2 Cb 0.00 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.03 1a3f h LEU 2 CO 0.00 0.14 -0.77 1.88 -0.34 0.00 0.00 178.44 179.35 1a3f h TYR 3 N 0.44 1.09 -0.28 1.25 0.05 -1.99 -2.31 116.97 115.22 1a3f h TYR 3 Ca 0.55 -0.47 -0.09 0.00 0.05 0.00 0.00 58.73 58.77 1a3f h TYR 3 Cb 1.33 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.88 1a3f h TYR 3 CO -0.00 1.31 -0.20 1.96 -1.05 0.00 0.00 178.16 180.17 1a3f h GLN 4 N 0.56 0.51 -0.08 4.88 4.20 -1.70 -1.92 115.11 121.57 1a3f h GLN 4 Ca -0.05 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.47 1a3f h GLN 4 Cb 1.39 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.13 1a3f h GLN 4 CO 0.16 0.69 0.01 0.35 -0.67 0.00 0.00 178.83 179.37 1a3f h PHE 5 N 0.46 0.14 -1.00 2.96 3.57 -1.30 -2.10 116.94 119.67 1a3f h PHE 5 Ca 0.07 -0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.71 1a3f h PHE 5 Cb 0.61 -0.04 -0.10 0.00 2.79 0.00 0.00 35.95 39.22 1a3f h PHE 5 CO 0.02 0.35 0.62 -0.22 -2.23 0.00 0.00 178.31 176.85 1a3f h LYS 6 N -0.10 0.84 0.00 1.11 3.64 -1.16 0.08 116.57 120.98 1a3f h LYS 6 Ca 0.02 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1a3f h LYS 6 Cb 0.28 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1a3f h LYS 6 CO 0.00 0.56 0.00 -0.91 -2.27 0.00 0.00 179.45 176.83 1a3f h ASN 7 N 0.87 0.00 0.18 4.20 2.35 -1.09 -2.58 115.58 119.51 1a3f h ASN 7 Ca 0.54 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 56.02 1a3f h ASN 7 Cb 0.72 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.11 1a3f h ASN 7 CO -0.33 0.00 -1.23 0.24 -1.65 0.00 0.00 177.43 174.46 1a3f h MET 8 N 0.00 0.38 0.00 0.81 2.86 -0.30 -2.88 114.93 115.80 1a3f h MET 8 Ca 0.00 -0.65 -0.03 0.00 -2.06 0.00 0.00 59.70 56.96 1a3f h MET 8 Cb 0.58 0.24 -0.00 0.00 0.06 0.00 0.00 31.60 32.47 1a3f h MET 8 CO 0.00 1.31 -0.16 0.82 1.06 0.00 0.00 176.91 179.94 1a3f h ILE 9 N -0.15 0.92 -0.32 -1.22 5.03 -1.37 -0.80 117.51 119.61 1a3f h ILE 9 Ca -0.23 -0.60 -0.16 0.00 -0.12 0.00 0.00 64.86 63.75 1a3f h ILE 9 Cb 1.88 1.34 -0.01 0.00 -3.03 0.00 0.00 36.82 37.01 1a3f h ILE 9 CO 0.18 0.16 -0.45 0.50 -0.68 0.00 0.00 178.15 177.86 1a3f h LYS 10 N 0.00 0.82 0.00 2.37 1.63 -1.50 0.32 116.57 120.22 1a3f h LYS 10 Ca -0.00 -0.46 0.01 0.00 -0.85 0.00 0.00 60.65 59.35 1a3f h LYS 10 Cb 0.33 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 1a3f h LYS 10 CO 0.02 1.10 -0.04 0.00 -3.45 0.00 0.00 179.45 177.08 1a3f h THR 12 N -0.07 0.86 -2.11 0.00 1.35 -1.37 -3.34 112.91 108.23 1a3f h THR 12 Ca 0.02 -2.50 -0.56 0.00 -0.55 0.00 0.00 66.41 62.82 1a3f h THR 12 Cb 0.10 2.35 -0.41 0.00 -1.73 0.00 0.00 68.15 68.46 1a3f h THR 12 CO -0.04 0.49 -0.91 0.52 -0.25 0.00 0.00 175.52 175.33 1a3f n VAL 13 N -3.06 0.95 -0.18 6.82 0.31 0.11 -4.80 118.33 118.48 1a3f n VAL 13 Ca -0.09 -4.77 0.07 0.00 -0.01 0.00 0.00 64.34 59.54 1a3f n VAL 13 Cb 0.92 -1.49 0.35 0.00 -0.91 0.00 0.00 33.84 32.71 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 3.61 0.73 0.00 5.55 0.13 -1.51 -1.71 132.00 138.80 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 0.77 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 31.74 1a3f h PRO 14 CO 0.64 0.48 -0.02 0.66 -0.23 0.00 0.00 178.00 179.53 1a3f h SER 15 N 0.75 0.00 -2.73 1.44 4.64 -1.91 -3.44 113.55 112.31 1a3f h SER 15 Ca 0.32 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 61.05 1a3f h SER 15 Cb 0.27 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.26 1a3f h SER 15 CO -0.11 0.02 -0.64 -0.13 -0.87 0.00 0.00 176.83 175.11 1a3f s ARG 16 N -4.54 2.49 0.05 4.77 0.52 -0.64 -5.10 118.95 116.50 1a3f s ARG 16 Ca -0.05 -1.11 -0.23 0.00 -0.52 0.00 0.00 55.73 53.82 1a3f s ARG 16 Cb 0.15 -2.38 -0.06 0.00 0.52 0.00 0.00 34.95 33.17 1a3f s ARG 16 CO 0.55 0.44 0.69 0.45 0.02 0.00 0.00 175.30 177.46 1a3f s SER 17 N -3.11 7.16 0.65 0.23 0.15 -1.26 -4.89 113.70 112.62 1a3f s SER 17 Ca 0.29 1.38 0.33 0.00 0.70 0.00 0.00 55.95 58.65 1a3f s SER 17 Cb -0.09 -2.43 1.81 0.00 -1.71 0.00 0.00 66.02 63.60 1a3f s SER 17 CO 0.20 0.10 2.06 -0.25 1.20 0.00 0.00 173.24 176.55 1a3f h TRP 18 N 5.29 0.00 0.00 3.44 2.91 -1.93 0.45 115.95 126.11 1a3f h TRP 18 Ca -0.45 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.54 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 -0.14 -1.49 -1.03 0.00 0.00 178.44 176.44 1a3f h TRP 19 N 0.00 0.00 -0.11 2.65 4.06 -2.00 -2.96 115.95 117.59 1a3f h TRP 19 Ca 0.03 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.92 1a3f h TRP 19 Cb 0.52 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.67 1a3f h TRP 19 CO 0.00 0.14 -0.20 -0.44 -3.56 0.00 0.00 178.44 174.38 1a3f h ASP 20 N 0.00 0.17 -0.10 -3.49 3.32 -0.48 -2.61 116.42 113.23 1a3f h ASP 20 Ca -0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1a3f h ASP 20 Cb 0.77 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1a3f h ASP 20 CO 0.02 0.38 0.00 0.49 -1.72 0.00 0.00 179.24 178.41 1a3f n PHE 21 N -4.23 0.10 0.46 4.55 3.72 -1.12 -4.30 117.46 116.65 1a3f n PHE 21 Ca -0.01 -0.05 0.13 0.00 -0.05 0.00 0.00 57.45 57.46 1a3f n PHE 21 Cb 0.31 0.00 0.29 0.00 -0.94 0.00 0.00 39.48 39.14 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 4.54 0.96 -0.91 4.37 0.00 -1.41 -3.34 119.26 123.47 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 0.84 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.39 1a3f h ALA 22 CO 0.00 0.00 -0.74 -3.47 0.00 0.00 0.00 179.25 175.04 1a3f n ASP 23 N -2.56 -1.68 -4.00 0.00 -0.08 -1.23 -3.89 116.55 103.10 1a3f n ASP 23 Ca 0.05 -3.01 -0.22 0.00 -1.51 0.00 0.00 54.79 50.09 1a3f n ASP 23 Cb 0.47 0.80 -0.16 0.00 2.34 0.00 0.00 41.12 44.57 1a3f n ASP 23 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1a3f s TYR 24 N -0.03 1.12 0.00 -0.67 6.14 -1.09 -0.23 117.35 122.59 1a3f s TYR 24 Ca 0.33 -0.33 0.00 0.00 0.64 0.00 0.00 57.07 57.71 1a3f s TYR 24 Cb 0.19 -0.82 0.00 0.00 0.42 0.00 0.00 41.96 41.74 1a3f s TYR 24 CO -0.18 -0.16 0.00 0.41 0.64 0.00 0.00 175.55 176.25 1a3f n GLY 25 N 3.53 0.98 0.03 8.97 0.00 0.99 -1.74 105.19 117.94 1a3f n GLY 25 Ca -0.21 -0.69 0.11 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.94 0.00 -2.29 0.00 4.01 -1.25 -3.09 117.16 112.60 1a3f n TYR 27 Ca 0.02 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.33 1a3f n TYR 27 Cb 0.43 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.44 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 4.36 1.05 0.00 0.00 0.00 -1.25 -2.66 105.19 106.68 1a3f n GLY 29 Ca 0.16 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.99 -1.42 1.61 1.74 -1.26 -5.05 116.66 113.28 1a3f n ARG 30 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1a3f n ARG 30 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1a3f n ARG 30 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a3f n GLY 31 N 5.00 -2.76 0.00 -0.13 0.00 -1.18 -4.62 105.19 101.51 1a3f n GLY 31 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.80 0.57 3.23 -0.02 0.00 -1.24 -4.77 105.19 101.15 1a3f n GLY 32 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 2.04 0.00 1.61 0.01 -1.26 -5.07 113.70 111.02 1a3f s SER 33 Ca 0.00 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.57 1a3f s SER 33 Cb 0.00 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.15 1a3f s SER 33 CO 0.00 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.21 1a3f n GLY 34 N 1.01 0.22 2.99 3.44 0.00 0.65 -4.45 105.19 109.04 1a3f n GLY 34 Ca -0.19 -1.99 -0.13 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.13 2.61 2.01 -1.26 -4.69 115.64 114.14 1a3f s THR 35 Ca 0.00 0.12 -0.41 0.00 0.31 0.00 0.00 61.69 61.71 1a3f s THR 35 Cb 0.00 -0.27 -0.19 0.00 0.01 0.00 0.00 72.50 72.05 1a3f s THR 35 CO 0.00 0.05 1.31 -2.65 -0.69 0.00 0.00 174.62 172.64 1a3f n PRO 36 N 3.86 0.31 0.19 4.92 -0.02 -1.26 -4.81 135.00 138.19 1a3f n PRO 36 Ca -0.22 0.11 0.07 0.00 -2.02 0.00 0.00 63.50 61.44 1a3f n PRO 36 Cb 0.54 -1.65 0.30 0.00 -0.02 0.00 0.00 33.50 32.67 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 3.75 0.65 -2.68 -1.45 -1.51 -1.95 -3.47 116.25 109.60 1a3f h VAL 37 Ca -0.48 -1.48 -0.05 0.00 -1.23 0.00 0.00 66.70 63.46 1a3f h VAL 37 Cb 1.39 1.99 -0.00 0.00 -2.13 0.00 0.00 31.29 32.53 1a3f h VAL 37 CO 0.78 0.30 0.10 -0.90 -1.23 0.00 0.00 177.57 176.62 1a3f n ASP 38 N -3.34 -1.14 0.15 4.19 5.68 -1.26 -5.02 116.55 115.81 1a3f n ASP 38 Ca 0.01 -1.91 -0.15 0.00 -0.50 0.00 0.00 54.79 52.24 1a3f n ASP 38 Cb 0.53 1.93 -0.07 0.00 -1.14 0.00 0.00 41.12 42.37 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 1.08 -1.09 -1.00 -1.12 3.32 -1.92 -1.48 116.42 114.22 1a3f h ASP 39 Ca -0.18 0.11 0.10 0.00 0.02 0.00 0.00 57.03 57.09 1a3f h ASP 39 Cb 0.67 0.40 -0.08 0.00 0.22 0.00 0.00 39.33 40.54 1a3f h ASP 39 CO 0.23 -0.48 0.64 0.25 -1.72 0.00 0.00 179.24 178.15 1a3f h LEU 40 N -0.67 0.97 -1.45 1.55 5.85 -1.89 0.34 115.31 120.01 1a3f h LEU 40 Ca 0.01 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1a3f h LEU 40 Cb 0.66 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1a3f h LEU 40 CO -0.17 0.56 -0.09 -0.78 -0.34 0.00 0.00 178.44 177.62 1a3f h ASP 41 N 1.07 0.23 -0.41 1.25 3.58 -1.85 -2.12 116.42 118.16 1a3f h ASP 41 Ca 0.47 -0.04 -0.11 0.00 0.42 0.00 0.00 57.03 57.77 1a3f h ASP 41 Cb 0.36 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 1a3f h ASP 41 CO -0.23 0.36 -0.19 -0.09 -2.88 0.00 0.00 179.24 176.22 1a3f h ARG 42 N 0.24 0.85 -0.38 0.28 9.65 0.12 -1.90 114.38 123.24 1a3f h ARG 42 Ca 0.05 -0.37 0.07 0.00 -1.10 0.00 0.00 59.98 58.64 1a3f h ARG 42 Cb 0.31 -0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 28.80 1a3f h ARG 42 CO 0.02 1.01 -0.03 0.00 2.80 0.00 0.00 179.97 183.77 1a3f h GLN 45 N 1.19 0.75 -0.63 0.00 4.15 -0.34 -1.56 115.11 118.68 1a3f h GLN 45 Ca 0.30 -0.12 -0.03 0.00 0.77 0.00 0.00 58.65 59.58 1a3f h GLN 45 Cb -0.00 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.53 1a3f h GLN 45 CO -0.05 0.63 0.29 0.28 -1.93 0.00 0.00 178.83 178.05 1a3f h VAL 46 N 0.69 1.22 -0.72 2.39 2.07 -0.30 -1.85 116.25 119.74 1a3f h VAL 46 Ca 0.18 -0.64 0.05 0.00 0.82 0.00 0.00 66.70 67.11 1a3f h VAL 46 Cb 0.14 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 1a3f h VAL 46 CO -0.02 0.26 0.43 -0.74 0.02 0.00 0.00 177.57 177.52 1a3f h HIS 47 N 0.86 0.81 -0.27 1.57 -0.00 -0.73 0.08 115.15 117.48 1a3f h HIS 47 Ca 0.21 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.61 1a3f h HIS 47 Cb 0.14 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.27 1a3f h HIS 47 CO 0.00 0.42 0.17 0.22 -0.00 0.00 0.00 177.93 178.74 1a3f h ASP 48 N 0.82 0.28 0.28 3.26 3.58 -0.97 0.75 116.42 124.43 1a3f h ASP 48 Ca 0.31 -0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.70 1a3f h ASP 48 Cb 0.11 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1a3f h ASP 48 CO -0.15 0.21 -0.24 0.78 -2.88 0.00 0.00 179.24 176.96 1a3f h ASN 49 N 0.34 0.00 -0.26 2.28 2.35 -0.75 -1.72 115.58 117.82 1a3f h ASN 49 Ca 0.10 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.70 1a3f h ASN 49 Cb -0.02 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 1a3f h ASN 49 CO -0.03 0.24 -0.42 0.00 -1.65 0.00 0.00 177.43 175.57 1a3f h TYR 51 N 0.48 1.15 -0.92 0.00 -1.99 -0.43 -2.32 116.97 112.94 1a3f h TYR 51 Ca 0.02 -0.09 0.09 0.00 2.00 0.00 0.00 58.73 60.75 1a3f h TYR 51 Cb 1.01 -0.34 -0.07 0.00 2.00 0.00 0.00 36.73 39.33 1a3f h TYR 51 CO 0.08 0.88 0.57 -0.91 -0.00 0.00 0.00 178.16 178.78 1a3f h ASN 52 N 1.09 0.85 -0.44 3.88 2.35 -1.13 -1.01 115.58 121.17 1a3f h ASN 52 Ca 0.25 0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.90 1a3f h ASN 52 Cb 0.24 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1a3f h ASN 52 CO -0.02 0.50 -0.25 -0.33 -1.65 0.00 0.00 177.43 175.68 1a3f h GLU 53 N 0.96 0.94 -0.00 0.81 3.07 -1.27 -3.03 114.58 116.06 1a3f h GLU 53 Ca 0.44 -0.43 -0.05 0.00 -0.50 0.00 0.00 59.36 58.82 1a3f h GLU 53 Cb 0.34 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 1a3f h GLU 53 CO -0.23 1.09 -0.24 0.00 -1.40 0.00 0.00 179.01 178.23 1a3f h ALA 54 N 0.83 1.60 0.00 3.43 0.00 -0.73 -2.22 119.26 122.17 1a3f h ALA 54 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1a3f h ALA 54 Cb 0.83 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1a3f h ALA 54 CO 0.07 0.30 0.00 0.93 0.00 0.00 0.00 179.25 180.56 1a3f h GLU 55 N 0.00 0.00 0.00 0.00 5.08 -1.10 -2.81 114.58 115.75 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 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 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 -2.47 0.03 -3.20 2.33 5.02 -0.83 -4.55 118.16 114.49 1a3f n LYS 56 Ca 0.02 0.24 -0.39 0.00 -2.02 0.00 0.00 58.31 56.16 1a3f n LYS 56 Cb 0.29 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.74 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 -2.94 5.09 -0.04 -0.18 1.01 -1.06 -5.00 121.20 118.07 1a3f s ILE 57 Ca 0.08 1.07 -0.33 0.00 0.00 0.00 0.00 60.65 61.47 1a3f s ILE 57 Cb 0.09 -3.89 -0.11 0.00 0.01 0.00 0.00 42.46 38.56 1a3f s ILE 57 CO 0.26 0.19 1.88 -0.24 0.00 0.00 0.00 174.94 177.02 1a3f n SER 58 N 4.60 3.58 0.00 3.58 2.88 -1.26 -1.53 113.62 125.47 1a3f n SER 58 Ca -0.04 0.97 0.00 0.00 -1.33 0.00 0.00 58.87 58.47 1a3f n SER 58 Cb 0.50 -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 4.36 0.61 3.44 0.46 0.00 -1.26 -5.04 105.19 107.77 1a3f n GLY 59 Ca 0.22 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 1.81 3.30 0.22 0.00 0.51 -1.26 -4.42 118.94 119.10 1a3f s TRP 61 Ca 0.07 -3.07 -0.05 0.00 -2.12 0.00 0.00 56.10 50.93 1a3f s TRP 61 Cb -0.20 -2.90 0.39 0.00 -0.81 0.00 0.00 33.47 29.94 1a3f s TRP 61 CO 0.10 -0.79 1.18 -2.30 -0.51 0.00 0.00 176.95 174.63 1a3f n PRO 62 N 3.33 -0.07 0.04 4.98 -0.02 -1.26 -1.26 135.00 140.75 1a3f n PRO 62 Ca 0.05 1.17 0.12 0.00 -2.02 0.00 0.00 63.50 62.82 1a3f n PRO 62 Cb 0.34 -1.77 0.48 0.00 -0.02 0.00 0.00 33.50 32.54 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 -5.20 0.34 -0.06 6.00 4.01 -1.26 -3.40 117.16 117.60 1a3f n TYR 63 Ca 0.13 0.11 -0.02 0.00 -0.16 0.00 0.00 57.90 57.96 1a3f n TYR 63 Cb 0.41 -0.68 -0.14 0.00 -0.31 0.00 0.00 39.34 38.62 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 -1.79 0.00 -2.03 -0.72 3.72 -0.39 -1.38 117.46 114.88 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 0.31 -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 -2.75 3.91 -0.05 -1.08 2.47 -0.66 -4.66 119.74 116.93 1a3f s LYS 65 Ca -0.08 1.92 -0.25 0.00 -1.56 0.00 0.00 55.97 56.00 1a3f s LYS 65 Cb 0.08 -4.04 -0.04 0.00 -1.46 0.00 0.00 37.83 32.37 1a3f s LYS 65 CO 0.75 -1.16 0.77 0.99 0.16 0.00 0.00 175.35 176.86 1a3f s THR 66 N 4.93 4.99 0.35 3.43 2.01 -1.26 0.20 115.64 130.30 1a3f s THR 66 Ca 0.75 1.60 0.01 0.00 0.31 0.00 0.00 61.69 64.35 1a3f s THR 66 Cb -0.29 -4.11 -0.00 0.00 0.01 0.00 0.00 72.50 68.11 1a3f s THR 66 CO 0.30 0.23 0.02 0.00 -0.69 0.00 0.00 174.62 174.49 1a3f n TYR 67 N 3.77 0.70 -4.33 4.92 0.18 -1.26 -4.84 117.16 116.30 1a3f n TYR 67 Ca 0.00 -1.84 -0.33 0.00 1.88 0.00 0.00 57.90 57.61 1a3f n TYR 67 Cb 0.51 -0.19 -0.16 0.00 -0.38 0.00 0.00 39.34 39.12 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 -2.99 3.45 0.38 9.48 0.15 -1.26 -4.96 113.70 117.95 1a3f s SER 68 Ca 0.03 -0.55 -0.10 0.00 0.70 0.00 0.00 55.95 56.03 1a3f s SER 68 Cb 0.00 -1.53 0.04 0.00 -1.71 0.00 0.00 66.02 62.82 1a3f s SER 68 CO 0.02 0.04 0.69 -0.72 1.20 0.00 0.00 173.24 174.47 1a3f s TYR 69 N 1.07 0.49 -0.16 3.44 1.13 -1.26 -0.75 117.35 121.31 1a3f s TYR 69 Ca -0.01 -1.02 -0.15 0.00 -1.41 0.00 0.00 57.07 54.48 1a3f s TYR 69 Cb -0.14 0.52 0.04 0.00 -1.10 0.00 0.00 41.96 41.28 1a3f s TYR 69 CO -0.05 -1.45 0.43 -1.83 -2.51 0.00 0.00 175.55 170.13 1a3f s GLU 70 N -2.43 0.50 -0.22 -3.49 -1.05 -0.05 -4.89 118.70 107.07 1a3f s GLU 70 Ca 0.21 0.59 -0.05 0.00 -0.15 0.00 0.00 54.97 55.57 1a3f s GLU 70 Cb -0.04 0.24 -0.02 0.00 -0.44 0.00 0.00 34.13 33.88 1a3f s GLU 70 CO 0.15 -0.06 -0.00 0.00 0.95 0.00 0.00 175.26 176.30 1a3f s SER 72 N 1.40 3.83 -0.66 0.00 0.15 0.57 -4.92 113.70 114.06 1a3f s SER 72 Ca 0.05 -3.02 -0.04 0.00 0.70 0.00 0.00 55.95 53.63 1a3f s SER 72 Cb -0.15 -1.24 0.01 0.00 -1.71 0.00 0.00 66.02 62.93 1a3f s SER 72 CO -0.00 -0.21 0.67 0.00 1.20 0.00 0.00 173.24 174.90 1a3f n GLN 73 N 3.04 -1.60 -0.80 5.44 3.00 -1.26 -2.59 117.38 122.61 1a3f n GLN 73 Ca 0.12 1.63 0.00 0.00 -0.01 0.00 0.00 57.00 58.74 1a3f n GLN 73 Cb 0.35 -5.59 0.00 0.00 0.00 0.00 0.00 30.24 25.01 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 -1.38 0.51 3.25 1.08 0.00 -1.25 -4.97 105.19 102.42 1a3f n GLY 74 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.51 2.91 -0.04 2.61 2.01 -1.07 -4.73 115.64 114.81 1a3f s THR 75 Ca 0.00 -0.65 -0.04 0.00 0.31 0.00 0.00 61.69 61.30 1a3f s THR 75 Cb 0.00 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 1a3f s THR 75 CO 0.00 0.47 0.17 -0.76 -0.69 0.00 0.00 174.62 173.81 1a3f s LEU 76 N 1.36 4.38 -0.11 4.42 1.43 -1.26 -0.31 118.68 128.58 1a3f s LEU 76 Ca 0.05 0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 53.47 1a3f s LEU 76 Cb -0.14 -2.44 0.04 0.00 0.03 0.00 0.00 46.19 43.68 1a3f s LEU 76 CO -0.06 0.31 0.28 -0.89 0.23 0.00 0.00 176.35 176.22 1a3f s THR 77 N -1.23 -0.02 -0.14 5.49 2.01 -0.59 -4.99 115.64 116.17 1a3f s THR 77 Ca 0.23 0.08 -0.12 0.00 0.31 0.00 0.00 61.69 62.19 1a3f s THR 77 Cb -0.12 -0.42 -0.05 0.00 0.01 0.00 0.00 72.50 71.92 1a3f s THR 77 CO 0.14 0.03 0.25 0.00 -0.69 0.00 0.00 174.62 174.35 1a3f s LYS 79 N -0.00 3.30 0.48 0.00 1.02 0.07 -4.95 119.74 119.66 1a3f s LYS 79 Ca 0.15 0.18 0.27 0.00 0.02 0.00 0.00 55.97 56.59 1a3f s LYS 79 Cb -0.13 -2.30 1.14 0.00 -0.52 0.00 0.00 37.83 36.02 1a3f s LYS 79 CO 0.04 -0.44 1.92 0.78 -0.92 0.00 0.00 175.35 176.73 1a3f h GLY 80 N 0.01 0.00 -4.10 -3.33 0.00 -1.98 -3.33 103.07 90.34 1a3f h GLY 80 Ca -0.46 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.72 1a3f h GLY 80 CO 0.61 0.00 -0.22 2.09 0.00 0.00 0.00 176.54 179.03 1a3f n ASP 81 N -3.38 4.33 -4.13 0.19 5.75 -1.26 -4.75 116.55 113.29 1a3f n ASP 81 Ca -0.00 -2.30 -0.20 0.00 -0.01 0.00 0.00 54.79 52.28 1a3f n ASP 81 Cb 0.36 -1.15 -0.14 0.00 -1.03 0.00 0.00 41.12 39.16 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 2.16 1.62 1.01 -1.12 0.01 -1.25 -4.75 114.94 112.62 1a3f s ASN 82 Ca 0.51 -0.41 -0.15 0.00 -0.71 0.00 0.00 52.86 52.10 1a3f s ASN 82 Cb 0.24 -0.12 0.20 0.00 0.41 0.00 0.00 41.25 41.99 1a3f s ASN 82 CO 0.00 0.05 1.16 -0.46 -1.51 0.00 0.00 177.10 176.34 1a3f n ASN 83 N 2.07 -0.00 -0.33 -1.22 6.94 -1.26 -4.64 115.26 116.81 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 -0.89 0.13 0.00 -2.36 0.00 0.00 39.78 37.21 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 -1.86 1.22 0.15 -2.53 0.00 -1.99 0.16 119.26 114.42 1a3f h ALA 84 Ca -0.38 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1a3f h ALA 84 Cb 1.04 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1a3f h ALA 84 CO 0.26 0.39 -0.07 0.00 0.00 0.00 0.00 179.25 179.83 1a3f h ALA 86 N 0.23 0.59 -0.61 0.00 0.00 -1.81 -1.20 119.26 116.46 1a3f h ALA 86 Ca -0.02 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1a3f h ALA 86 Cb 0.42 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1a3f h ALA 86 CO 0.03 -0.12 0.39 0.00 0.00 0.00 0.00 179.25 179.56 1a3f h ALA 87 N 1.25 0.78 -0.28 0.00 0.00 -0.60 -1.66 119.26 118.75 1a3f h ALA 87 Ca 0.20 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 1a3f h ALA 87 Cb 0.11 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1a3f h ALA 87 CO -0.14 0.15 -0.51 0.77 0.00 0.00 0.00 179.25 179.53 1a3f h SER 88 N 0.77 0.86 -0.38 0.00 0.02 -0.82 -2.84 113.55 111.17 1a3f h SER 88 Ca 0.23 -0.44 -0.11 0.00 -0.84 0.00 0.00 61.79 60.63 1a3f h SER 88 Cb -0.03 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 1a3f h SER 88 CO -0.08 1.21 -0.21 0.58 -1.14 0.00 0.00 176.83 177.20 1a3f h VAL 89 N 0.61 1.28 -0.95 2.27 2.07 -1.06 -2.49 116.25 117.99 1a3f h VAL 89 Ca 0.02 -1.35 0.01 0.00 0.82 0.00 0.00 66.70 66.21 1a3f h VAL 89 Cb 1.09 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 32.14 1a3f h VAL 89 CO 0.11 0.45 0.63 0.00 0.02 0.00 0.00 177.57 178.77 1a3f h ASP 91 N 1.27 0.91 -0.30 0.00 3.58 -1.39 0.22 116.42 120.71 1a3f h ASP 91 Ca 0.35 -0.23 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 1a3f h ASP 91 Cb -0.12 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.67 1a3f h ASP 91 CO -0.08 0.91 0.18 0.00 -2.88 0.00 0.00 179.24 177.36 1a3f h ASP 93 N 0.38 -0.01 -0.74 0.00 3.32 -0.99 -2.04 116.42 116.34 1a3f h ASP 93 Ca 0.11 -0.27 0.10 0.00 0.02 0.00 0.00 57.03 56.99 1a3f h ASP 93 Cb 0.04 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.51 1a3f h ASP 93 CO -0.02 0.26 0.38 -0.09 -1.72 0.00 0.00 179.24 178.05 1a3f h ARG 94 N -0.27 0.61 -0.08 3.56 2.43 -0.56 -0.89 114.38 119.18 1a3f h ARG 94 Ca -0.00 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.02 1a3f h ARG 94 Cb 0.27 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1a3f h ARG 94 CO 0.00 0.41 -0.46 -0.07 -1.51 0.00 0.00 179.97 178.33 1a3f h LEU 95 N 0.63 0.21 -0.49 3.80 3.38 -1.34 -2.85 115.31 118.65 1a3f h LEU 95 Ca 0.37 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 58.07 1a3f h LEU 95 Cb 0.39 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1a3f h LEU 95 CO -0.27 0.65 -0.64 0.00 0.09 0.00 0.00 178.44 178.26 1a3f h ALA 96 N 1.36 0.68 -0.41 1.53 0.00 -0.48 -1.96 119.26 119.98 1a3f h ALA 96 Ca 0.01 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 1a3f h ALA 96 Cb 0.88 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1a3f h ALA 96 CO 0.07 0.73 0.05 0.00 0.00 0.00 0.00 179.25 180.10 1a3f h ALA 97 N 1.00 0.55 -0.56 0.00 0.00 -1.11 0.56 119.26 119.69 1a3f h ALA 97 Ca -0.01 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1a3f h ALA 97 Cb 1.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1a3f h ALA 97 CO 0.11 0.29 -0.00 0.82 0.00 0.00 0.00 179.25 180.47 1a3f h ILE 98 N 0.54 1.26 0.18 0.00 2.04 -1.47 -2.13 117.51 117.93 1a3f h ILE 98 Ca 0.12 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 1a3f h ILE 98 Cb 0.41 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1a3f h ILE 98 CO 0.01 0.40 -0.09 0.00 0.00 0.00 0.00 178.15 178.48 1a3f h PHE 100 N -0.27 1.02 0.00 0.00 -1.00 -0.72 -2.05 116.94 113.91 1a3f h PHE 100 Ca -0.02 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.75 1a3f h PHE 100 Cb 0.21 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.45 1a3f h PHE 100 CO -0.06 0.29 -0.20 0.00 -1.61 0.00 0.00 178.31 176.74 1a3f h ALA 101 N 1.61 1.65 -0.29 2.45 0.00 -0.67 -2.96 119.26 121.05 1a3f h ALA 101 Ca 0.54 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1a3f h ALA 101 Cb 0.80 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1a3f h ALA 101 CO -0.31 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.59 1a3f n GLY 102 N -0.95 1.61 3.58 0.00 0.00 -0.82 -4.93 105.19 103.67 1a3f n GLY 102 Ca -0.02 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.12 3.32 0.50 4.61 0.00 -0.94 -5.07 121.76 123.07 1a3f s ALA 103 Ca 0.26 -0.85 -0.23 0.00 0.00 0.00 0.00 51.96 51.14 1a3f s ALA 103 Cb 0.15 -1.95 -0.06 0.00 0.00 0.00 0.00 23.12 21.26 1a3f s ALA 103 CO 0.21 0.01 1.32 -1.25 0.00 0.00 0.00 175.76 176.04 1a3f s PRO 104 N 0.70 3.41 -0.39 0.00 0.04 -1.26 -4.86 135.00 132.64 1a3f s PRO 104 Ca 0.03 2.15 -0.11 0.00 0.04 0.00 0.00 61.00 63.11 1a3f s PRO 104 Cb -0.13 -2.38 0.04 0.00 0.04 0.00 0.00 34.50 32.07 1a3f s PRO 104 CO 0.02 -0.94 0.23 -0.47 0.04 0.00 0.00 177.00 175.88 1a3f s TYR 105 N -1.34 3.27 -0.37 0.56 6.14 -1.26 -4.46 117.35 119.88 1a3f s TYR 105 Ca 0.67 -1.10 -0.17 0.00 0.64 0.00 0.00 57.07 57.11 1a3f s TYR 105 Cb -0.38 -2.62 0.00 0.00 0.42 0.00 0.00 41.96 39.38 1a3f s TYR 105 CO 0.46 -0.71 0.46 1.21 0.64 0.00 0.00 175.55 177.60 1a3f s ASN 106 N 1.77 6.24 0.27 4.32 3.84 -1.26 -4.98 114.94 125.15 1a3f s ASN 106 Ca 0.02 -0.27 0.00 0.00 0.21 0.00 0.00 52.86 52.83 1a3f s ASN 106 Cb -0.21 -2.24 0.63 0.00 -0.55 0.00 0.00 41.25 38.89 1a3f s ASN 106 CO 0.06 -0.48 1.67 0.44 -2.79 0.00 0.00 177.10 176.00 1a3f h ASP 107 N 8.55 0.08 0.61 -4.21 3.32 -1.98 0.15 116.42 122.96 1a3f h ASP 107 Ca -0.28 0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1a3f h ASP 107 Cb 1.13 0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.89 1a3f h ASP 107 CO 0.76 -0.08 0.00 0.78 -1.72 0.00 0.00 179.24 178.98 1a3f h ASN 108 N 0.28 0.00 -0.48 6.45 2.35 -2.02 -2.15 115.58 120.01 1a3f h ASN 108 Ca 0.51 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.26 1a3f h ASN 108 Cb 0.97 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.34 1a3f h ASN 108 CO -0.58 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 175.79 1a3f n ASN 109 N -2.55 2.70 -4.72 5.81 5.03 0.04 -4.77 115.26 116.80 1a3f n ASN 109 Ca 0.01 -2.05 -0.38 0.00 0.87 0.00 0.00 54.58 53.03 1a3f n ASN 109 Cb 0.20 -0.35 -0.06 0.00 -1.02 0.00 0.00 39.78 38.55 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 -1.41 3.51 -1.22 3.10 5.04 -0.81 -0.01 117.35 125.54 1a3f s TYR 110 Ca 0.33 0.85 -0.06 0.00 -2.44 0.00 0.00 57.07 55.74 1a3f s TYR 110 Cb 0.18 -2.52 -0.01 0.00 0.35 0.00 0.00 41.96 39.95 1a3f s TYR 110 CO 0.21 0.18 0.76 -1.71 -1.34 0.00 0.00 175.55 173.65 1a3f n ASN 111 N 3.66 -3.09 -4.74 4.32 2.85 0.68 -4.95 115.26 113.97 1a3f n ASN 111 Ca -0.08 -0.85 -0.24 0.00 -0.11 0.00 0.00 54.58 53.30 1a3f n ASN 111 Cb 0.52 -4.08 0.09 0.00 1.24 0.00 0.00 39.78 37.55 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 -3.57 2.27 -0.63 -1.44 -4.36 -1.26 -5.01 121.20 107.19 1a3f s ILE 112 Ca 0.20 -0.44 -0.26 0.00 -0.26 0.00 0.00 60.65 59.89 1a3f s ILE 112 Cb -0.05 -2.83 0.04 0.00 1.25 0.00 0.00 42.46 40.87 1a3f s ILE 112 CO 0.81 0.00 1.10 -0.62 0.24 0.00 0.00 174.94 176.47 1a3f s ASP 113 N -4.63 6.29 0.10 4.36 -1.08 -1.26 -4.90 116.67 115.56 1a3f s ASP 113 Ca 0.64 -0.37 -0.28 0.00 -0.52 0.00 0.00 52.55 52.02 1a3f s ASP 113 Cb -0.08 -2.50 -0.11 0.00 -1.46 0.00 0.00 42.92 38.78 1a3f s ASP 113 CO 0.44 -1.49 1.64 -0.07 0.52 0.00 0.00 175.17 176.21 1a3f h LEU 114 N 11.83 -0.70 -0.21 -1.34 3.38 -1.95 0.95 115.31 127.27 1a3f h LEU 114 Ca -0.27 0.07 0.06 0.00 0.09 0.00 0.00 57.88 57.83 1a3f h LEU 114 Cb 1.06 0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.99 1a3f h LEU 114 CO 1.18 -0.36 -0.28 0.11 0.09 0.00 0.00 178.44 179.18 1a3f h LYS 115 N -0.51 -0.29 -0.73 1.13 1.57 -1.90 0.53 116.57 116.36 1a3f h LYS 115 Ca 0.01 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1a3f h LYS 115 Cb 0.50 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 1a3f h LYS 115 CO -0.09 -0.20 0.30 0.00 -0.57 0.00 0.00 179.45 178.89 1a3f h ALA 116 N 0.65 0.95 -0.01 3.86 0.00 -1.94 -3.32 119.26 119.45 1a3f h ALA 116 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1a3f h ALA 116 Cb 0.50 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1a3f h ALA 116 CO -0.38 0.57 -0.51 0.54 0.00 0.00 0.00 179.25 179.47 1a3f n ARG 117 N -4.34 1.34 -4.64 0.00 5.12 0.31 -4.95 116.66 109.50 1a3f n ARG 117 Ca 0.06 -0.72 -0.26 0.00 -1.93 0.00 0.00 57.85 55.00 1a3f n ARG 117 Cb 0.18 -1.38 -0.17 0.00 -1.16 0.00 0.00 32.46 29.93 1a3f n ARG 117 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70