#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nf6 n GLY 3 N 0.00 -3.20 3.99 0.00 0.00 -1.26 -4.99 105.19 99.73 1nf6 n GLY 3 Ca 0.00 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 1nf6 n GLY 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nf6 s ASN 4 N -2.05 4.22 0.12 1.61 4.22 -1.26 -4.80 114.94 117.00 1nf6 s ASN 4 Ca 0.00 -0.36 -0.33 0.00 -2.14 0.00 0.00 52.86 50.03 1nf6 s ASN 4 Cb 0.00 0.03 -0.12 0.00 1.28 0.00 0.00 41.25 42.44 1nf6 s ASN 4 CO 0.00 -1.95 1.56 0.03 -2.04 0.00 0.00 177.10 174.70 1nf6 h ARG 5 N -0.62 -0.58 -0.58 3.55 2.47 -1.98 0.27 114.38 116.91 1nf6 h ARG 5 Ca -0.36 0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.40 1nf6 h ARG 5 Cb 1.26 0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 29.69 1nf6 h ARG 5 CO 0.39 -0.39 0.35 0.93 0.56 0.00 0.00 179.97 181.82 1nf6 h GLU 6 N -0.60 0.77 -0.34 0.04 4.39 -1.99 0.16 114.58 117.01 1nf6 h GLU 6 Ca 0.03 -0.06 -0.15 0.00 0.34 0.00 0.00 59.36 59.53 1nf6 h GLU 6 Cb 0.69 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1nf6 h GLU 6 CO -0.40 0.53 -0.38 0.22 -1.16 0.00 0.00 179.01 177.82 1nf6 h ASP 7 N 0.79 0.87 -0.19 1.42 1.82 -1.70 -0.52 116.42 118.91 1nf6 h ASP 7 Ca 0.21 -0.39 0.01 0.00 -0.39 0.00 0.00 57.03 56.47 1nf6 h ASP 7 Cb -0.04 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 39.71 1nf6 h ASP 7 CO -0.04 1.15 0.10 0.03 -1.61 0.00 0.00 179.24 178.86 1nf6 h ARG 8 N 0.67 0.20 -0.08 0.28 3.08 0.40 -0.25 114.38 118.68 1nf6 h ARG 8 Ca 0.06 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.13 1nf6 h ARG 8 Cb 0.95 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.91 1nf6 h ARG 8 CO 0.09 0.13 -0.14 0.87 -1.07 0.00 0.00 179.97 179.85 1nf6 h LYS 9 N 0.20 -0.19 -0.52 0.04 1.57 -0.52 -2.78 116.57 114.38 1nf6 h LYS 9 Ca 0.07 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.94 1nf6 h LYS 9 Cb 0.01 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.31 1nf6 h LYS 9 CO -0.05 -0.13 0.19 0.00 -0.57 0.00 0.00 179.45 178.90 1nf6 h ALA 10 N 0.82 0.64 -0.32 3.86 0.00 -0.75 0.42 119.26 123.93 1nf6 h ALA 10 Ca 0.08 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1nf6 h ALA 10 Cb 0.30 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1nf6 h ALA 10 CO -0.20 -0.20 -0.10 0.87 0.00 0.00 0.00 179.25 179.62 1nf6 h LYS 11 N 0.37 0.54 -0.07 0.00 1.57 -0.91 -0.37 116.57 117.71 1nf6 h LYS 11 Ca 0.25 -0.15 -0.20 0.00 -1.87 0.00 0.00 60.65 58.67 1nf6 h LYS 11 Cb 0.27 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.53 1nf6 h LYS 11 CO -0.25 0.64 -0.75 0.28 -0.57 0.00 0.00 179.45 178.80 1nf6 h VAL 12 N 0.51 1.33 -0.58 0.50 2.07 -1.01 -2.69 116.25 116.37 1nf6 h VAL 12 Ca 0.10 -2.03 0.11 0.00 0.82 0.00 0.00 66.70 65.69 1nf6 h VAL 12 Cb 0.48 2.27 -0.03 0.00 -1.52 0.00 0.00 31.29 32.48 1nf6 h VAL 12 CO 0.03 0.62 0.39 0.40 0.02 0.00 0.00 177.57 179.03 1nf6 h ILE 13 N 0.27 0.86 -0.15 4.57 2.04 0.01 -0.35 117.51 124.76 1nf6 h ILE 13 Ca -0.07 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1nf6 h ILE 13 Cb 1.41 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1nf6 h ILE 13 CO 0.15 0.06 0.03 -0.08 0.00 0.00 0.00 178.15 178.31 1nf6 h GLU 14 N 0.32 0.24 0.00 2.37 4.81 -0.75 -2.18 114.58 119.39 1nf6 h GLU 14 Ca 0.27 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 1nf6 h GLU 14 Cb 0.64 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1nf6 h GLU 14 CO -0.06 0.40 -0.48 -0.39 -0.73 0.00 0.00 179.01 177.74 1nf6 h VAL 15 N 0.04 1.12 -0.31 0.32 -1.51 -1.16 -2.75 116.25 112.00 1nf6 h VAL 15 Ca 0.05 -1.79 -0.01 0.00 -1.23 0.00 0.00 66.70 63.72 1nf6 h VAL 15 Cb 0.27 2.03 -0.01 0.00 -2.13 0.00 0.00 31.29 31.44 1nf6 h VAL 15 CO 0.00 0.47 0.15 -0.07 -1.23 0.00 0.00 177.57 176.89 1nf6 h LEU 16 N 0.00 0.41 -0.88 4.19 3.38 -0.94 -1.72 115.31 119.74 1nf6 h LEU 16 Ca -0.00 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 1nf6 h LEU 16 Cb 0.99 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1nf6 h LEU 16 CO 0.06 0.42 -0.44 0.78 0.09 0.00 0.00 178.44 179.34 1nf6 h ASN 17 N 0.37 0.26 -0.41 -0.43 2.35 -1.37 0.28 115.58 116.62 1nf6 h ASN 17 Ca 0.11 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 1nf6 h ASN 17 Cb 0.12 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 1nf6 h ASN 17 CO -0.01 0.68 0.11 0.11 -1.65 0.00 0.00 177.43 176.66 1nf6 h LYS 18 N 0.20 0.65 -0.26 0.81 1.57 -1.31 0.19 116.57 118.43 1nf6 h LYS 18 Ca 0.01 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1nf6 h LYS 18 Cb 0.87 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 1nf6 h LYS 18 CO 0.07 0.66 0.12 0.00 -0.57 0.00 0.00 179.45 179.73 1nf6 h ALA 19 N 0.96 0.34 -0.78 3.86 0.00 -1.18 -2.45 119.26 120.02 1nf6 h ALA 19 Ca 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1nf6 h ALA 19 Cb 0.30 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1nf6 h ALA 19 CO -0.00 -0.08 0.45 -0.09 0.00 0.00 0.00 179.25 179.52 1nf6 h ARG 20 N 0.28 1.06 0.00 0.00 2.43 -0.22 -1.48 114.38 116.46 1nf6 h ARG 20 Ca 0.09 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1nf6 h ARG 20 Cb 0.14 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1nf6 h ARG 20 CO -0.01 0.76 -0.19 0.00 -1.51 0.00 0.00 179.97 179.02 1nf6 h ALA 21 N 1.42 1.54 -0.08 2.80 0.00 -0.41 -1.43 119.26 123.09 1nf6 h ALA 21 Ca 0.28 -0.17 -0.23 0.00 0.00 0.00 0.00 54.91 54.79 1nf6 h ALA 21 Cb -0.01 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1nf6 h ALA 21 CO -0.05 0.23 -0.87 0.52 0.00 0.00 0.00 179.25 179.09 1nf6 h MET 22 N 0.00 0.67 -0.42 0.00 2.86 -0.82 0.49 114.93 117.71 1nf6 h MET 22 Ca -0.00 -0.61 -0.04 0.00 -2.06 0.00 0.00 59.70 56.99 1nf6 h MET 22 Cb 0.36 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 1nf6 h MET 22 CO 0.02 1.22 0.12 0.93 1.06 0.00 0.00 176.91 180.26 1nf6 h GLU 23 N 0.43 0.65 -0.92 1.72 4.39 -0.87 -0.18 114.58 119.79 1nf6 h GLU 23 Ca -0.07 -0.15 0.10 0.00 0.34 0.00 0.00 59.36 59.57 1nf6 h GLU 23 Cb 1.49 -0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 29.99 1nf6 h GLU 23 CO 0.17 0.66 0.59 -0.07 -1.16 0.00 0.00 179.01 179.20 1nf6 h LEU 24 N 0.53 0.84 -0.27 1.33 3.38 -1.28 0.31 115.31 120.16 1nf6 h LEU 24 Ca 0.13 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1nf6 h LEU 24 Cb 0.28 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1nf6 h LEU 24 CO -0.00 0.50 -0.03 -0.74 0.09 0.00 0.00 178.44 178.26 1nf6 h HIS 25 N 0.93 0.54 -0.84 1.13 2.76 -0.92 -3.02 115.15 115.73 1nf6 h HIS 25 Ca 0.43 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.50 1nf6 h HIS 25 Cb 0.39 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.17 1nf6 h HIS 25 CO -0.00 0.67 0.54 0.00 -1.30 0.00 0.00 177.93 177.84 1nf6 h ALA 26 N 0.80 1.07 -0.12 5.26 0.00 0.48 0.14 119.26 126.89 1nf6 h ALA 26 Ca 0.07 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1nf6 h ALA 26 Cb 0.47 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1nf6 h ALA 26 CO 0.02 0.50 -0.04 0.82 0.00 0.00 0.00 179.25 180.55 1nf6 h ILE 27 N 1.15 0.85 -0.53 0.00 2.04 -0.46 0.22 117.51 120.78 1nf6 h ILE 27 Ca 0.31 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 66.06 1nf6 h ILE 27 Cb -0.10 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1nf6 h ILE 27 CO -0.06 0.00 -0.08 0.45 0.00 0.00 0.00 178.15 178.46 1nf6 h HIS 28 N -0.02 1.10 0.10 1.37 3.86 -1.35 -1.00 115.15 119.21 1nf6 h HIS 28 Ca 0.06 -0.22 -0.01 0.00 -1.16 0.00 0.00 60.37 59.05 1nf6 h HIS 28 Cb 0.11 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.31 1nf6 h HIS 28 CO -0.17 1.02 -0.05 0.37 0.86 0.00 0.00 177.93 179.96 1nf6 h GLN 29 N 0.86 -0.14 -0.45 2.45 5.75 -0.38 -1.54 115.11 121.66 1nf6 h GLN 29 Ca 0.14 0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.57 1nf6 h GLN 29 Cb 0.63 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.20 1nf6 h GLN 29 CO 0.04 0.05 -0.02 1.88 -2.65 0.00 0.00 178.83 178.13 1nf6 h TYR 30 N -0.30 0.89 -0.08 3.99 0.99 -0.58 -2.34 116.97 119.54 1nf6 h TYR 30 Ca -0.01 -0.16 -0.03 0.00 2.00 0.00 0.00 58.73 60.52 1nf6 h TYR 30 Cb 0.25 -0.23 -0.01 0.00 1.00 0.00 0.00 36.73 37.74 1nf6 h TYR 30 CO -0.02 0.87 -0.11 0.52 -0.00 0.00 0.00 178.16 179.42 1nf6 h MET 31 N 0.65 0.11 -0.56 4.88 2.86 -1.16 0.19 114.93 121.90 1nf6 h MET 31 Ca 0.12 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.69 1nf6 h MET 31 Cb 0.53 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 1nf6 h MET 31 CO 0.03 0.23 0.15 -0.97 1.06 0.00 0.00 176.91 177.41 1nf6 h ASN 32 N 0.11 0.83 0.58 1.22 -0.73 -0.90 -1.72 115.58 114.97 1nf6 h ASN 32 Ca 0.02 -0.22 -0.10 0.00 1.87 0.00 0.00 56.30 57.87 1nf6 h ASN 32 Cb 0.27 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.63 1nf6 h ASN 32 CO 0.02 0.84 -0.48 1.56 -0.37 0.00 0.00 177.43 178.99 1nf6 h GLN 33 N 0.79 0.00 -0.64 6.67 4.20 -0.71 -2.47 115.11 122.95 1nf6 h GLN 33 Ca 0.18 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.84 1nf6 h GLN 33 Cb 0.32 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 1nf6 h GLN 33 CO -0.00 0.48 0.20 1.25 -0.67 0.00 0.00 178.83 180.09 1nf6 h HIS 34 N 0.00 1.03 -0.64 2.96 2.76 -0.75 -0.42 115.15 120.08 1nf6 h HIS 34 Ca -0.00 -0.10 -0.05 0.00 -2.20 0.00 0.00 60.37 58.01 1nf6 h HIS 34 Cb 0.90 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 29.54 1nf6 h HIS 34 CO 0.00 0.84 0.18 1.88 -1.30 0.00 0.00 177.93 179.53 1nf6 h TYR 35 N 0.92 1.02 0.12 5.26 0.99 -0.85 0.40 116.97 124.82 1nf6 h TYR 35 Ca 0.20 -0.10 -0.01 0.00 2.00 0.00 0.00 58.73 60.83 1nf6 h TYR 35 Cb 0.30 -0.30 0.00 0.00 1.00 0.00 0.00 36.73 37.73 1nf6 h TYR 35 CO 0.02 0.82 -0.06 0.77 -0.00 0.00 0.00 178.16 179.72 1nf6 h SER 36 N 0.95 -0.13 -0.81 3.88 0.02 -1.37 0.31 113.55 116.39 1nf6 h SER 36 Ca 0.21 -0.33 0.07 0.00 -0.84 0.00 0.00 61.79 60.90 1nf6 h SER 36 Cb 0.30 0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.81 1nf6 h SER 36 CO -0.00 0.28 0.49 -0.07 -1.14 0.00 0.00 176.83 176.38 1nf6 h LEU 37 N -0.57 0.74 -0.59 5.07 3.38 -0.94 0.35 115.31 122.75 1nf6 h LEU 37 Ca -0.02 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1nf6 h LEU 37 Cb 0.45 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1nf6 h LEU 37 CO 0.03 0.46 0.09 -0.78 0.09 0.00 0.00 178.44 178.33 1nf6 h ASP 38 N 0.87 0.94 -0.36 -0.43 3.58 -0.94 0.90 116.42 120.98 1nf6 h ASP 38 Ca 0.37 -0.26 -0.06 0.00 0.42 0.00 0.00 57.03 57.49 1nf6 h ASP 38 Cb 0.22 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 1nf6 h ASP 38 CO -0.19 0.96 0.01 -0.78 -2.88 0.00 0.00 179.24 176.36 1nf6 h ASP 39 N 0.88 0.68 0.33 2.28 3.58 0.17 -1.12 116.42 123.22 1nf6 h ASP 39 Ca 0.18 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1nf6 h ASP 39 Cb 0.42 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.30 1nf6 h ASP 39 CO 0.01 0.74 0.00 0.23 -2.88 0.00 0.00 179.24 177.34 1nf6 n MET 40 N -4.24 0.51 -3.12 0.28 2.81 0.11 -4.89 117.12 108.59 1nf6 n MET 40 Ca 0.02 0.03 -0.18 0.00 -1.81 0.00 0.00 57.70 55.77 1nf6 n MET 40 Cb 0.28 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.33 1nf6 n MET 40 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1nf6 n ASP 41 N -1.20 -5.25 -4.12 7.83 2.03 -0.42 -4.94 116.55 110.48 1nf6 n ASP 41 Ca 0.15 -0.33 -0.42 0.00 0.52 0.00 0.00 54.79 54.71 1nf6 n ASP 41 Cb 0.17 -3.96 -0.01 0.00 -0.72 0.00 0.00 41.12 36.60 1nf6 n ASP 41 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1nf6 n TYR 42 N -4.34 3.76 -0.02 -0.67 0.53 0.22 -2.65 117.16 113.99 1nf6 n TYR 42 Ca -0.04 -3.36 -0.10 0.00 -1.02 0.00 0.00 57.90 53.39 1nf6 n TYR 42 Cb 0.57 -1.39 -0.04 0.00 -1.03 0.00 0.00 39.34 37.45 1nf6 n TYR 42 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 1nf6 h GLY 43 N 5.91 -0.39 0.96 2.72 0.00 -1.66 0.11 103.07 110.72 1nf6 h GLY 43 Ca 0.19 0.39 0.01 0.00 0.00 0.00 0.00 47.33 47.92 1nf6 h GLY 43 CO 1.13 -0.22 0.34 -2.09 0.00 0.00 0.00 176.54 175.71 1nf6 h GLU 44 N -0.36 0.67 -0.62 4.80 4.81 -1.73 -0.38 114.58 121.77 1nf6 h GLU 44 Ca 0.11 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 1nf6 h GLU 44 Cb 0.54 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1nf6 h GLU 44 CO -0.39 0.44 0.11 -0.07 -0.73 0.00 0.00 179.01 178.37 1nf6 h LEU 45 N 0.69 0.97 -0.66 1.64 3.38 -1.78 -2.42 115.31 117.12 1nf6 h LEU 45 Ca 0.20 -0.26 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 1nf6 h LEU 45 Cb -0.04 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1nf6 h LEU 45 CO -0.06 0.98 -0.49 0.00 0.09 0.00 0.00 178.44 178.96 1nf6 h ALA 46 N 1.03 0.84 -0.08 1.53 0.00 -0.58 -2.80 119.26 119.21 1nf6 h ALA 46 Ca 0.19 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1nf6 h ALA 46 Cb 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1nf6 h ALA 46 CO 0.01 0.67 -0.16 0.00 0.00 0.00 0.00 179.25 179.77 1nf6 h ALA 47 N 1.12 0.13 -0.10 0.00 0.00 -0.97 -2.97 119.26 116.47 1nf6 h ALA 47 Ca 0.02 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1nf6 h ALA 47 Cb 0.99 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1nf6 h ALA 47 CO 0.09 0.04 -0.26 -0.91 0.00 0.00 0.00 179.25 178.21 1nf6 h ASN 48 N -0.22 0.17 -0.27 0.00 2.35 -1.49 -2.24 115.58 113.88 1nf6 h ASN 48 Ca 0.00 -0.05 -0.12 0.00 -0.55 0.00 0.00 56.30 55.59 1nf6 h ASN 48 Cb 0.74 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 1nf6 h ASN 48 CO 0.04 0.44 -0.23 -0.03 -1.65 0.00 0.00 177.43 176.00 1nf6 h MET 49 N 0.16 0.75 -0.31 0.81 4.05 -1.53 -0.35 114.93 118.52 1nf6 h MET 49 Ca 0.03 -0.31 -0.18 0.00 -0.28 0.00 0.00 59.70 58.96 1nf6 h MET 49 Cb 0.55 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.32 1nf6 h MET 49 CO 0.04 0.92 -0.51 -0.22 0.23 0.00 0.00 176.91 177.36 1nf6 h LYS 50 N 0.66 0.88 -0.77 0.39 3.64 -1.32 -1.81 116.57 118.24 1nf6 h LYS 50 Ca 0.09 -0.54 -0.05 0.00 -1.27 0.00 0.00 60.65 58.88 1nf6 h LYS 50 Cb 0.74 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 1nf6 h LYS 50 CO 0.06 1.18 0.28 -0.07 -2.27 0.00 0.00 179.45 178.62 1nf6 h LEU 51 N 0.69 1.09 -0.85 5.20 3.38 -1.21 0.54 115.31 124.14 1nf6 h LEU 51 Ca 0.03 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 1nf6 h LEU 51 Cb 1.11 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1nf6 h LEU 51 CO 0.12 0.98 -0.20 0.40 0.09 0.00 0.00 178.44 179.82 1nf6 h ILE 52 N 1.13 1.26 -0.27 1.22 2.04 -1.01 -1.61 117.51 120.27 1nf6 h ILE 52 Ca 0.25 -1.25 -0.05 0.00 1.00 0.00 0.00 64.86 64.81 1nf6 h ILE 52 Cb 0.26 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1nf6 h ILE 52 CO -0.02 0.41 -0.06 0.00 0.00 0.00 0.00 178.15 178.48 1nf6 h ALA 53 N 1.22 1.39 0.00 1.87 0.00 -0.49 -2.16 119.26 121.10 1nf6 h ALA 53 Ca 0.08 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1nf6 h ALA 53 Cb 0.66 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1nf6 h ALA 53 CO 0.05 0.42 -0.55 0.82 0.00 0.00 0.00 179.25 179.99 1nf6 h ILE 54 N 0.41 1.27 -0.01 0.00 2.04 -0.40 -1.26 117.51 119.56 1nf6 h ILE 54 Ca 0.08 -1.97 -0.00 0.00 1.00 0.00 0.00 64.86 63.98 1nf6 h ILE 54 Cb 0.37 2.10 -0.00 0.00 -0.74 0.00 0.00 36.82 38.55 1nf6 h ILE 54 CO 0.02 0.54 0.00 0.44 0.00 0.00 0.00 178.15 179.15 1nf6 h ASP 55 N 0.00 0.01 -0.92 1.72 3.32 -0.68 -2.21 116.42 117.66 1nf6 h ASP 55 Ca -0.01 -0.06 0.08 0.00 0.02 0.00 0.00 57.03 57.07 1nf6 h ASP 55 Cb 1.05 -0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.53 1nf6 h ASP 55 CO 0.07 0.07 0.57 -0.33 -1.72 0.00 0.00 179.24 177.90 1nf6 h GLU 56 N -0.05 0.95 -0.72 3.56 4.39 -1.31 0.44 114.58 121.84 1nf6 h GLU 56 Ca 0.00 -0.06 0.14 0.00 0.34 0.00 0.00 59.36 59.78 1nf6 h GLU 56 Cb 0.06 -0.22 -0.09 0.00 -0.10 0.00 0.00 28.75 28.40 1nf6 h GLU 56 CO -0.00 0.63 0.26 0.52 -1.16 0.00 0.00 179.01 179.26 1nf6 h MET 57 N 0.98 0.39 -0.36 2.33 2.86 -1.02 0.22 114.93 120.33 1nf6 h MET 57 Ca 0.42 -0.02 -0.17 0.00 -2.06 0.00 0.00 59.70 57.87 1nf6 h MET 57 Cb 0.29 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.86 1nf6 h MET 57 CO -0.21 0.26 -0.43 0.00 1.06 0.00 0.00 176.91 177.58 1nf6 h ARG 58 N 0.40 0.92 0.16 1.72 3.08 -0.38 -2.18 114.38 118.11 1nf6 h ARG 58 Ca 0.39 -0.52 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1nf6 h ARG 58 Cb 0.60 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1nf6 h ARG 58 CO -0.41 1.17 -0.14 0.45 -1.07 0.00 0.00 179.97 179.97 1nf6 h HIS 59 N 0.74 -0.36 -0.80 3.04 3.86 -0.35 0.86 115.15 122.14 1nf6 h HIS 59 Ca 0.05 0.00 0.16 0.00 -1.16 0.00 0.00 60.37 59.42 1nf6 h HIS 59 Cb 1.03 0.14 -0.10 0.00 1.06 0.00 0.00 27.41 29.54 1nf6 h HIS 59 CO 0.07 -0.21 0.34 0.00 0.86 0.00 0.00 177.93 178.98 1nf6 h ALA 60 N 0.50 1.17 -0.24 2.45 0.00 -0.52 0.46 119.26 123.09 1nf6 h ALA 60 Ca -0.00 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1nf6 h ALA 60 Cb 0.29 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1nf6 h ALA 60 CO -0.02 -0.22 -0.17 1.49 0.00 0.00 0.00 179.25 180.32 1nf6 h GLU 61 N 0.46 0.54 -0.62 0.00 4.81 -0.96 -0.22 114.58 118.58 1nf6 h GLU 61 Ca 0.45 -0.26 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 1nf6 h GLU 61 Cb 0.73 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.08 1nf6 h GLU 61 CO -0.43 0.83 0.20 -0.91 -0.73 0.00 0.00 179.01 177.97 1nf6 h ASN 62 N 0.25 0.87 -0.06 1.04 2.35 -0.06 -0.13 115.58 119.84 1nf6 h ASN 62 Ca 0.05 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1nf6 h ASN 62 Cb 0.70 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.84 1nf6 h ASN 62 CO 0.05 0.82 0.03 -0.26 -1.65 0.00 0.00 177.43 176.42 1nf6 h PHE 63 N 0.91 0.08 -0.82 1.19 0.05 -0.77 -1.00 116.94 116.58 1nf6 h PHE 63 Ca 0.21 -0.00 0.09 0.00 3.82 0.00 0.00 57.97 62.08 1nf6 h PHE 63 Cb 0.26 -0.03 -0.07 0.00 2.00 0.00 0.00 35.95 38.11 1nf6 h PHE 63 CO 0.02 0.13 0.48 0.00 -0.18 0.00 0.00 178.31 178.76 1nf6 h ALA 64 N 0.94 1.16 -0.44 2.45 0.00 -0.57 -0.73 119.26 122.07 1nf6 h ALA 64 Ca 0.02 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1nf6 h ALA 64 Cb 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1nf6 h ALA 64 CO -0.00 0.12 -0.16 0.93 0.00 0.00 0.00 179.25 180.14 1nf6 h GLU 65 N 0.81 0.88 -0.49 0.00 5.08 -0.80 -1.82 114.58 118.25 1nf6 h GLU 65 Ca 0.39 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1nf6 h GLU 65 Cb 0.33 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1nf6 h GLU 65 CO -0.23 1.01 0.14 -0.09 -1.00 0.00 0.00 179.01 178.83 1nf6 h ARG 66 N 0.71 0.77 -0.70 2.33 9.65 -0.86 -1.10 114.38 125.20 1nf6 h ARG 66 Ca 0.10 -0.18 0.08 0.00 -1.10 0.00 0.00 59.98 58.89 1nf6 h ARG 66 Cb 0.72 -0.11 -0.07 0.00 -1.39 0.00 0.00 29.97 29.13 1nf6 h ARG 66 CO 0.05 0.74 0.36 0.82 2.80 0.00 0.00 179.97 184.75 1nf6 h ILE 67 N 0.67 0.89 -0.74 1.20 2.04 -1.00 -0.94 117.51 119.62 1nf6 h ILE 67 Ca 0.16 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 1nf6 h ILE 67 Cb 0.30 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 1nf6 h ILE 67 CO -0.00 0.12 0.28 0.11 0.00 0.00 0.00 178.15 178.66 1nf6 h LYS 68 N 0.63 1.11 -0.06 2.37 1.79 -1.01 -1.12 116.57 120.28 1nf6 h LYS 68 Ca 0.33 -0.20 -0.03 0.00 -2.18 0.00 0.00 60.65 58.58 1nf6 h LYS 68 Cb 0.30 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 1nf6 h LYS 68 CO -0.24 0.91 -0.08 0.93 -1.08 0.00 0.00 179.45 179.89 1nf6 h GLU 69 N 1.08 0.09 -0.11 3.15 5.08 -0.07 -2.34 114.58 121.46 1nf6 h GLU 69 Ca 0.25 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1nf6 h GLU 69 Cb 0.22 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1nf6 h GLU 69 CO -0.02 0.17 0.00 1.28 -1.00 0.00 0.00 179.01 179.45 1nf6 n LEU 70 N -4.39 1.20 0.00 1.33 4.77 -0.47 -4.92 117.00 114.51 1nf6 n LEU 70 Ca -0.02 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1nf6 n LEU 70 Cb 0.19 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1nf6 n LEU 70 CO 0.36 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1nf6 n GLY 71 N 1.05 0.74 1.23 -0.72 0.00 -0.88 -4.87 105.19 101.74 1nf6 n GLY 71 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 1nf6 n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nf6 n GLY 72 N -2.35 1.28 3.01 -0.02 0.00 -0.57 -4.99 105.19 101.55 1nf6 n GLY 72 Ca 0.00 -2.06 -0.30 0.00 0.00 0.00 0.00 46.02 43.66 1nf6 n GLY 72 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nf6 s GLU 73 N -3.06 2.21 0.07 1.61 2.56 -1.26 -4.29 118.70 116.54 1nf6 s GLU 73 Ca 0.20 -0.61 -0.32 0.00 0.00 0.00 0.00 54.97 54.24 1nf6 s GLU 73 Cb -0.01 -2.16 -0.11 0.00 2.00 0.00 0.00 34.13 33.85 1nf6 s GLU 73 CO 0.13 -0.28 1.84 -2.30 -0.56 0.00 0.00 175.26 174.09 1nf6 n PRO 74 N 4.76 2.58 -0.95 4.30 -0.02 -1.26 -4.95 135.00 139.47 1nf6 n PRO 74 Ca -0.16 0.94 -0.33 0.00 -2.02 0.00 0.00 63.50 61.93 1nf6 n PRO 74 Cb 0.49 -2.82 0.14 0.00 -0.02 0.00 0.00 33.50 31.29 1nf6 n PRO 74 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1nf6 n THR 75 N 4.77 1.15 -0.45 3.45 5.66 -1.26 -4.96 114.28 122.65 1nf6 n THR 75 Ca 0.19 -0.15 0.04 0.00 -3.05 0.00 0.00 64.05 61.07 1nf6 n THR 75 Cb 0.35 -1.04 0.05 0.00 -1.55 0.00 0.00 70.33 68.14 1nf6 n THR 75 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1nf6 n THR 76 N -3.57 1.29 -5.02 1.09 -2.24 -1.26 -4.95 114.28 99.61 1nf6 n THR 76 Ca 0.12 -1.43 -0.28 0.00 -2.27 0.00 0.00 64.05 60.20 1nf6 n THR 76 Cb 0.51 0.24 -0.15 0.00 -2.10 0.00 0.00 70.33 68.83 1nf6 n THR 76 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1nf6 s GLN 77 N -1.65 1.72 0.37 -0.78 -0.21 -1.26 -5.12 119.66 112.73 1nf6 s GLN 77 Ca 0.12 -0.79 -0.25 0.00 0.02 0.00 0.00 55.36 54.46 1nf6 s GLN 77 Cb 0.10 -1.68 -0.09 0.00 1.00 0.00 0.00 33.01 32.34 1nf6 s GLN 77 CO 0.01 0.46 1.01 -1.59 -2.12 0.00 0.00 175.29 173.06 1nf6 s LYS 78 N -0.58 4.33 -0.30 2.91 -2.85 -1.26 -4.50 119.74 117.48 1nf6 s LYS 78 Ca 0.08 1.45 -0.20 0.00 -1.00 0.00 0.00 55.97 56.30 1nf6 s LYS 78 Cb -0.08 -2.64 -0.01 0.00 -2.06 0.00 0.00 37.83 33.04 1nf6 s LYS 78 CO -0.01 0.02 0.60 -2.00 0.10 0.00 0.00 175.35 174.06 1nf6 s GLU 79 N -2.34 3.89 0.00 1.78 2.56 0.11 -4.88 118.70 119.82 1nf6 s GLU 79 Ca 0.55 0.26 0.00 0.00 0.00 0.00 0.00 54.97 55.78 1nf6 s GLU 79 Cb -0.21 -3.73 0.00 0.00 2.00 0.00 0.00 34.13 32.20 1nf6 s GLU 79 CO 0.26 -0.55 0.00 0.41 -0.56 0.00 0.00 175.26 174.82 1nf6 n GLY 80 N 4.46 0.10 3.80 -1.50 0.00 -1.26 -4.75 105.19 106.03 1nf6 n GLY 80 Ca -0.02 -1.99 -0.30 0.00 0.00 0.00 0.00 46.02 43.71 1nf6 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nf6 s LYS 81 N -1.07 2.96 -0.21 1.61 1.02 -1.26 -5.01 119.74 117.77 1nf6 s LYS 81 Ca 0.00 -0.66 -0.18 0.00 0.02 0.00 0.00 55.97 55.15 1nf6 s LYS 81 Cb 0.00 -2.77 -0.03 0.00 -0.52 0.00 0.00 37.83 34.51 1nf6 s LYS 81 CO 0.00 0.57 0.50 0.08 -0.92 0.00 0.00 175.35 175.58 1nf6 s VAL 82 N -1.41 5.11 -0.16 3.17 1.01 -1.26 -5.05 120.40 121.81 1nf6 s VAL 82 Ca 0.30 0.91 -0.23 0.00 0.00 0.00 0.00 61.98 62.96 1nf6 s VAL 82 Cb -0.12 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1nf6 s VAL 82 CO 0.23 0.17 0.70 -0.69 0.00 0.00 0.00 175.10 175.50 1nf6 s VAL 83 N 1.75 4.99 0.38 2.92 1.01 -1.26 -5.06 120.40 125.12 1nf6 s VAL 83 Ca 0.23 1.37 0.08 0.00 0.00 0.00 0.00 61.98 63.65 1nf6 s VAL 83 Cb -0.15 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1nf6 s VAL 83 CO 0.09 0.13 0.20 0.42 0.00 0.00 0.00 175.10 175.94 1nf6 s THR 84 N 1.69 2.76 -1.04 3.92 -4.23 -1.26 -4.67 115.64 112.81 1nf6 s THR 84 Ca 0.33 -1.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1nf6 s THR 84 Cb -0.16 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.68 1nf6 s THR 84 CO 0.13 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 1nf6 n GLY 85 N -1.26 0.73 3.73 3.99 0.00 -1.26 -4.99 105.19 106.13 1nf6 n GLY 85 Ca -0.01 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 1nf6 n GLY 85 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nf6 s GLN 86 N -3.50 4.58 0.78 1.61 -0.21 -1.26 -5.02 119.66 116.63 1nf6 s GLN 86 Ca 0.00 1.63 -0.12 0.00 0.02 0.00 0.00 55.36 56.89 1nf6 s GLN 86 Cb 0.00 -3.34 0.07 0.00 1.00 0.00 0.00 33.01 30.74 1nf6 s GLN 86 CO 0.00 0.02 1.14 0.00 -2.12 0.00 0.00 175.29 174.33 1nf6 s ALA 87 N 0.25 2.04 0.15 6.09 0.00 -1.26 -4.74 121.76 124.29 1nf6 s ALA 87 Ca 0.51 0.57 -0.23 0.00 0.00 0.00 0.00 51.96 52.81 1nf6 s ALA 87 Cb -0.27 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.49 1nf6 s ALA 87 CO 0.32 -1.99 1.63 0.28 0.00 0.00 0.00 175.76 176.00 1nf6 h VAL 88 N -0.91 0.40 -0.45 0.00 2.07 -1.99 0.17 116.25 115.54 1nf6 h VAL 88 Ca -0.45 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1nf6 h VAL 88 Cb 1.26 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1nf6 h VAL 88 CO 0.49 0.00 0.26 -0.65 0.02 0.00 0.00 177.57 177.69 1nf6 h PRO 89 N -0.26 0.61 0.00 1.57 0.11 -2.00 0.87 132.00 132.90 1nf6 h PRO 89 Ca 0.13 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.10 1nf6 h PRO 89 Cb 0.45 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 1nf6 h PRO 89 CO -0.37 0.44 -0.41 0.28 -0.21 0.00 0.00 178.00 177.72 1nf6 h VAL 90 N 0.62 0.93 -0.44 3.15 2.07 -1.70 -2.09 116.25 118.78 1nf6 h VAL 90 Ca 0.16 -1.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.00 1nf6 h VAL 90 Cb -0.01 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1nf6 h VAL 90 CO -0.03 0.41 0.18 0.40 0.02 0.00 0.00 177.57 178.55 1nf6 h ILE 91 N 0.00 1.20 0.00 4.57 2.04 0.18 -2.60 117.51 122.90 1nf6 h ILE 91 Ca -0.00 -0.60 -0.11 0.00 1.00 0.00 0.00 64.86 65.15 1nf6 h ILE 91 Cb 0.97 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1nf6 h ILE 91 CO 0.05 0.22 -0.90 1.88 0.00 0.00 0.00 178.15 179.41 1nf6 h TYR 92 N 0.57 0.00 0.15 1.37 -1.99 -1.42 -2.63 116.97 113.02 1nf6 h TYR 92 Ca 0.15 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.87 1nf6 h TYR 92 Cb 0.18 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.91 1nf6 h TYR 92 CO -0.00 0.41 -0.07 1.49 -0.00 0.00 0.00 178.16 179.99 1nf6 h GLU 93 N 0.00 -0.20 -0.14 4.88 4.81 -1.40 -2.78 114.58 119.76 1nf6 h GLU 93 Ca -0.07 0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.02 1nf6 h GLU 93 Cb 1.37 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.79 1nf6 h GLU 93 CO 0.04 0.07 -0.58 0.66 -0.73 0.00 0.00 179.01 178.47 1nf6 h SER 94 N -0.46 0.50 -0.16 1.04 4.64 -1.54 -2.15 113.55 115.43 1nf6 h SER 94 Ca -0.02 -0.28 -0.11 0.00 -0.47 0.00 0.00 61.79 60.91 1nf6 h SER 94 Cb 0.36 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 1nf6 h SER 94 CO 0.03 0.97 -0.28 0.44 -0.87 0.00 0.00 176.83 177.12 1nf6 h ASP 95 N 0.34 0.65 -0.48 4.97 5.19 -1.54 0.78 116.42 126.32 1nf6 h ASP 95 Ca -0.00 -0.24 -0.05 0.00 -0.62 0.00 0.00 57.03 56.11 1nf6 h ASP 95 Cb 1.11 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.42 1nf6 h ASP 95 CO 0.10 0.90 0.11 0.00 -3.12 0.00 0.00 179.24 177.23 1nf6 h ALA 96 N 1.15 1.20 -0.16 3.45 0.00 -1.42 0.20 119.26 123.68 1nf6 h ALA 96 Ca 0.07 -0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.57 1nf6 h ALA 96 Cb 0.76 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1nf6 h ALA 96 CO 0.06 0.55 -0.69 -0.44 0.00 0.00 0.00 179.25 178.73 1nf6 h ASP 97 N 0.79 0.75 -0.32 0.00 3.32 -0.63 -2.04 116.42 118.30 1nf6 h ASP 97 Ca 0.17 -0.46 -0.04 0.00 0.02 0.00 0.00 57.03 56.72 1nf6 h ASP 97 Cb 0.31 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1nf6 h ASP 97 CO 0.00 1.23 0.04 -0.61 -1.72 0.00 0.00 179.24 178.18 1nf6 h GLN 98 N 0.46 0.54 -0.55 3.56 4.15 0.78 -1.50 115.11 122.55 1nf6 h GLN 98 Ca -0.03 -0.15 -0.11 0.00 0.77 0.00 0.00 58.65 59.13 1nf6 h GLN 98 Cb 1.28 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.90 1nf6 h GLN 98 CO 0.13 0.65 -0.08 0.93 -1.93 0.00 0.00 178.83 178.53 1nf6 h GLU 99 N 0.36 1.02 -0.20 1.69 4.39 -0.59 -0.43 114.58 120.81 1nf6 h GLU 99 Ca 0.10 -0.36 0.01 0.00 0.34 0.00 0.00 59.36 59.45 1nf6 h GLU 99 Cb 0.38 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1nf6 h GLU 99 CO 0.01 1.04 0.11 0.22 -1.16 0.00 0.00 179.01 179.23 1nf6 h ASP 100 N 0.91 0.17 -0.28 1.42 1.82 -1.32 -0.51 116.42 118.62 1nf6 h ASP 100 Ca 0.15 0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.76 1nf6 h ASP 100 Cb 0.64 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.61 1nf6 h ASP 100 CO 0.04 0.13 0.07 0.00 -1.61 0.00 0.00 179.24 177.87 1nf6 h ALA 101 N 1.10 1.45 -0.33 -0.78 0.00 -1.09 -1.56 119.26 118.05 1nf6 h ALA 101 Ca 0.08 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1nf6 h ALA 101 Cb 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1nf6 h ALA 101 CO -0.05 0.40 -0.11 1.15 0.00 0.00 0.00 179.25 180.64 1nf6 h THR 102 N 0.53 1.28 -0.66 0.00 2.02 -0.53 -1.58 112.91 113.98 1nf6 h THR 102 Ca 0.12 -1.19 0.01 0.00 0.77 0.00 0.00 66.41 66.12 1nf6 h THR 102 Cb 0.23 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 1nf6 h THR 102 CO -0.00 0.38 0.43 0.40 0.37 0.00 0.00 175.52 177.10 1nf6 h ILE 103 N 0.43 1.17 -0.18 3.11 2.04 -0.71 0.06 117.51 123.41 1nf6 h ILE 103 Ca 0.08 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 1nf6 h ILE 103 Cb 0.62 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1nf6 h ILE 103 CO 0.04 0.17 0.03 -0.33 0.00 0.00 0.00 178.15 178.06 1nf6 h GLU 104 N 0.89 0.30 0.04 2.37 4.39 -1.05 -2.35 114.58 119.16 1nf6 h GLU 104 Ca 0.24 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 1nf6 h GLU 104 Cb -0.10 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1nf6 h GLU 104 CO -0.05 0.46 -0.02 0.00 -1.16 0.00 0.00 179.01 178.24 1nf6 h ALA 105 N 0.83 -0.05 -0.81 3.43 0.00 -0.88 -3.06 119.26 118.72 1nf6 h ALA 105 Ca 0.06 -0.19 0.20 0.00 0.00 0.00 0.00 54.91 54.97 1nf6 h ALA 105 Cb 0.30 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1nf6 h ALA 105 CO 0.00 -0.33 0.55 1.88 0.00 0.00 0.00 179.25 181.35 1nf6 h TYR 106 N -0.43 0.31 -0.33 0.00 -1.99 -1.04 0.11 116.97 113.59 1nf6 h TYR 106 Ca -0.00 0.01 -0.11 0.00 2.00 0.00 0.00 58.73 60.62 1nf6 h TYR 106 Cb 0.40 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 39.02 1nf6 h TYR 106 CO 0.05 0.09 -0.25 0.77 -0.00 0.00 0.00 178.16 178.83 1nf6 h SER 107 N 0.24 0.67 -0.11 3.88 0.02 -1.32 0.71 113.55 117.63 1nf6 h SER 107 Ca 0.40 -0.24 -0.16 0.00 -0.84 0.00 0.00 61.79 60.96 1nf6 h SER 107 Cb 1.20 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 1nf6 h SER 107 CO -0.10 0.90 -0.47 1.56 -1.14 0.00 0.00 176.83 177.58 1nf6 h GLN 108 N 0.58 0.68 -0.74 3.45 4.20 -0.81 -2.21 115.11 120.25 1nf6 h GLN 108 Ca 0.08 -0.39 -0.02 0.00 0.06 0.00 0.00 58.65 58.38 1nf6 h GLN 108 Cb 0.73 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.50 1nf6 h GLN 108 CO 0.06 1.00 0.37 0.74 -0.67 0.00 0.00 178.83 180.33 1nf6 h PHE 109 N 0.54 1.05 -0.67 2.96 0.05 -0.79 -2.45 116.94 117.63 1nf6 h PHE 109 Ca 0.03 -0.04 0.06 0.00 3.82 0.00 0.00 57.97 61.84 1nf6 h PHE 109 Cb 1.02 -0.33 -0.06 0.00 2.00 0.00 0.00 35.95 38.59 1nf6 h PHE 109 CO 0.05 0.75 0.37 1.25 -0.18 0.00 0.00 178.31 180.55 1nf6 h LEU 110 N 1.05 0.53 -0.69 1.54 6.46 -0.26 -2.24 115.31 121.69 1nf6 h LEU 110 Ca 0.26 0.03 0.03 0.00 -0.12 0.00 0.00 57.88 58.08 1nf6 h LEU 110 Cb 0.09 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 39.91 1nf6 h LEU 110 CO -0.04 0.34 0.44 0.11 -0.62 0.00 0.00 178.44 178.67 1nf6 h LYS 111 N 0.67 0.84 -0.78 1.25 1.57 -1.06 -1.64 116.57 117.41 1nf6 h LYS 111 Ca 0.31 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 59.06 1nf6 h LYS 111 Cb 0.21 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.29 1nf6 h LYS 111 CO -0.20 0.55 0.50 0.28 -0.57 0.00 0.00 179.45 180.02 1nf6 h VAL 112 N 0.86 1.14 -0.35 0.50 2.07 -1.18 0.28 116.25 119.56 1nf6 h VAL 112 Ca 0.28 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.51 1nf6 h VAL 112 Cb 0.00 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 29.78 1nf6 h VAL 112 CO -0.10 0.18 0.06 0.00 0.02 0.00 0.00 177.57 177.73 1nf6 h LYS 114 N 0.18 0.67 -0.23 0.00 1.57 -0.51 0.91 116.57 119.15 1nf6 h LYS 114 Ca 0.17 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 1nf6 h LYS 114 Cb 0.20 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1nf6 h LYS 114 CO -0.23 0.58 -0.21 0.93 -0.57 0.00 0.00 179.45 179.95 1nf6 h GLU 115 N 0.59 0.42 -0.42 3.15 5.08 0.04 -1.31 114.58 122.13 1nf6 h GLU 115 Ca 0.15 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1nf6 h GLU 115 Cb 0.15 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1nf6 h GLU 115 CO -0.02 0.62 0.00 1.04 -1.00 0.00 0.00 179.01 179.65 1nf6 n GLN 116 N -4.16 1.90 -3.80 2.33 1.13 0.25 -4.49 117.38 110.56 1nf6 n GLN 116 Ca -0.00 -1.16 -0.27 0.00 -1.94 0.00 0.00 57.00 53.63 1nf6 n GLN 116 Cb 0.37 -1.36 0.04 0.00 0.11 0.00 0.00 30.24 29.40 1nf6 n GLN 116 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nf6 n GLY 117 N 0.84 -0.49 3.13 1.08 0.00 -0.49 -4.91 105.19 104.35 1nf6 n GLY 117 Ca 0.11 0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.95 1nf6 n GLY 117 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nf6 s ASP 118 N -3.45 5.73 0.12 1.61 -1.08 0.30 -4.93 116.67 114.98 1nf6 s ASP 118 Ca 0.56 -3.21 -0.17 0.00 -0.52 0.00 0.00 52.55 49.21 1nf6 s ASP 118 Cb -0.27 -1.92 -0.03 0.00 -1.46 0.00 0.00 42.92 39.24 1nf6 s ASP 118 CO 0.80 -0.31 1.70 0.40 0.52 0.00 0.00 175.17 178.27 1nf6 h ILE 119 N 4.70 1.16 -0.40 4.11 1.08 -1.92 -0.16 117.51 126.08 1nf6 h ILE 119 Ca 0.07 -0.47 -0.00 0.00 -0.39 0.00 0.00 64.86 64.07 1nf6 h ILE 119 Cb 0.90 0.86 -0.02 0.00 -3.07 0.00 0.00 36.82 35.49 1nf6 h ILE 119 CO 0.78 0.17 0.25 0.58 -0.69 0.00 0.00 178.15 179.24 1nf6 h VAL 120 N 0.40 1.12 -0.15 1.67 2.07 -1.97 -0.47 116.25 118.93 1nf6 h VAL 120 Ca 0.11 -0.26 -0.15 0.00 0.82 0.00 0.00 66.70 67.22 1nf6 h VAL 120 Cb 0.13 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1nf6 h VAL 120 CO -0.01 0.12 -0.56 0.74 0.02 0.00 0.00 177.57 177.88 1nf6 h THR 121 N 0.53 1.34 -0.87 2.57 2.02 -1.94 -1.65 112.91 114.90 1nf6 h THR 121 Ca 0.14 -1.83 0.07 0.00 0.77 0.00 0.00 66.41 65.56 1nf6 h THR 121 Cb -0.02 1.83 -0.06 0.00 -1.74 0.00 0.00 68.15 68.15 1nf6 h THR 121 CO -0.03 0.56 0.53 0.00 0.37 0.00 0.00 175.52 176.96 1nf6 h ALA 122 N 1.04 1.21 -0.33 6.16 0.00 -0.55 -1.31 119.26 125.48 1nf6 h ALA 122 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1nf6 h ALA 122 Cb 1.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1nf6 h ALA 122 CO 0.10 0.25 -0.22 0.07 0.00 0.00 0.00 179.25 179.46 1nf6 h ARG 123 N 0.95 0.64 -0.14 0.00 -0.00 -0.89 -2.22 114.38 112.73 1nf6 h ARG 123 Ca 0.39 -0.24 0.04 0.00 -0.00 0.00 0.00 59.98 60.16 1nf6 h ARG 123 Cb 0.22 -0.04 -0.04 0.00 -0.00 0.00 0.00 29.97 30.11 1nf6 h ARG 123 CO -0.19 0.81 -0.10 1.25 -0.00 0.00 0.00 179.97 181.74 1nf6 h LEU 124 N 0.57 -0.31 -1.78 0.08 5.85 -0.27 -1.19 115.31 118.25 1nf6 h LEU 124 Ca 0.08 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1nf6 h LEU 124 Cb 0.68 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1nf6 h LEU 124 CO 0.05 -0.13 0.12 -0.26 -0.34 0.00 0.00 178.44 177.88 1nf6 h PHE 125 N -0.10 0.25 -0.32 1.25 -1.00 -1.26 -2.81 116.94 112.95 1nf6 h PHE 125 Ca 0.09 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.82 1nf6 h PHE 125 Cb 0.23 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 39.69 1nf6 h PHE 125 CO -0.23 0.17 -0.01 0.93 -1.61 0.00 0.00 178.31 177.56 1nf6 h GLU 126 N 0.27 0.57 -0.20 1.51 5.08 -0.60 -1.14 114.58 120.06 1nf6 h GLU 126 Ca 0.07 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1nf6 h GLU 126 Cb -0.01 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1nf6 h GLU 126 CO -0.01 0.71 0.04 0.00 -1.00 0.00 0.00 179.01 178.75 1nf6 h ARG 127 N 0.36 0.32 -0.16 2.33 3.08 -1.30 -2.92 114.38 116.10 1nf6 h ARG 127 Ca 0.09 -0.08 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 1nf6 h ARG 127 Cb 0.46 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1nf6 h ARG 127 CO 0.02 0.46 -0.35 0.82 -1.07 0.00 0.00 179.97 179.85 1nf6 h ILE 128 N 0.13 1.29 0.00 2.04 2.04 -1.50 -2.26 117.51 119.25 1nf6 h ILE 128 Ca 0.06 -1.40 -0.06 0.00 1.00 0.00 0.00 64.86 64.47 1nf6 h ILE 128 Cb 0.28 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1nf6 h ILE 128 CO 0.00 0.43 -0.27 0.40 0.00 0.00 0.00 178.15 178.71 1nf6 h ILE 129 N 0.28 0.85 -0.29 -0.67 2.04 -1.14 -0.95 117.51 117.63 1nf6 h ILE 129 Ca 0.03 -1.08 -0.17 0.00 1.00 0.00 0.00 64.86 64.65 1nf6 h ILE 129 Cb 0.75 1.65 -0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1nf6 h ILE 129 CO 0.06 0.27 -0.49 -0.33 0.00 0.00 0.00 178.15 177.65 1nf6 h GLU 130 N 0.00 0.79 -0.59 2.37 5.08 -1.23 -2.49 114.58 118.51 1nf6 h GLU 130 Ca -0.00 -0.47 -0.08 0.00 -1.00 0.00 0.00 59.36 57.81 1nf6 h GLU 130 Cb 0.63 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1nf6 h GLU 130 CO 0.04 1.10 0.04 0.93 -1.00 0.00 0.00 179.01 180.11 1nf6 h GLU 131 N 0.62 1.01 -0.99 2.33 5.08 -1.04 -2.79 114.58 118.80 1nf6 h GLU 131 Ca 0.03 -0.30 0.03 0.00 -1.00 0.00 0.00 59.36 58.11 1nf6 h GLU 131 Cb 1.07 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.17 1nf6 h GLU 131 CO 0.11 0.98 0.65 0.93 -1.00 0.00 0.00 179.01 180.68 1nf6 h GLU 132 N 0.90 1.23 -0.53 2.33 4.39 -1.11 0.63 114.58 122.43 1nf6 h GLU 132 Ca 0.17 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 1nf6 h GLU 132 Cb 0.50 -0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1nf6 h GLU 132 CO 0.02 0.82 0.15 0.37 -1.16 0.00 0.00 179.01 179.21 1nf6 h GLN 133 N 1.27 0.79 -0.70 2.33 5.75 -1.37 0.46 115.11 123.65 1nf6 h GLN 133 Ca 0.39 -0.15 -0.04 0.00 -0.15 0.00 0.00 58.65 58.70 1nf6 h GLN 133 Cb -0.03 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.36 1nf6 h GLN 133 CO -0.11 0.70 0.27 0.00 -2.65 0.00 0.00 178.83 177.03 1nf6 h ALA 134 N 1.40 0.91 -0.25 3.38 0.00 -0.69 0.63 119.26 124.63 1nf6 h ALA 134 Ca 0.18 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1nf6 h ALA 134 Cb 0.25 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1nf6 h ALA 134 CO -0.01 0.54 0.15 0.45 0.00 0.00 0.00 179.25 180.38 1nf6 h HIS 135 N 1.00 0.34 -0.33 0.00 3.86 -0.16 -2.31 115.15 117.54 1nf6 h HIS 135 Ca 0.23 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.47 1nf6 h HIS 135 Cb 0.23 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.56 1nf6 h HIS 135 CO 0.02 0.26 0.14 1.25 0.86 0.00 0.00 177.93 180.46 1nf6 h LEU 136 N 0.31 0.18 -0.81 2.43 5.85 0.37 -0.76 115.31 122.89 1nf6 h LEU 136 Ca 0.09 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1nf6 h LEU 136 Cb 0.03 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1nf6 h LEU 136 CO -0.02 0.14 0.53 0.74 -0.34 0.00 0.00 178.44 179.50 1nf6 h THR 137 N 0.30 1.21 0.07 1.05 2.02 -0.82 -0.72 112.91 116.02 1nf6 h THR 137 Ca 0.14 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 1nf6 h THR 137 Cb 0.09 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.52 1nf6 h THR 137 CO -0.13 0.21 -0.05 0.22 0.37 0.00 0.00 175.52 176.15 1nf6 h TYR 138 N 1.11 -0.12 -0.47 3.16 3.20 -0.77 0.29 116.97 123.36 1nf6 h TYR 138 Ca 0.30 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.11 1nf6 h TYR 138 Cb -0.11 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 1nf6 h TYR 138 CO -0.01 -0.07 0.07 1.88 -1.64 0.00 0.00 178.16 178.39 1nf6 h TYR 139 N -0.11 0.76 -0.45 -3.82 0.99 -0.97 -1.95 116.97 111.41 1nf6 h TYR 139 Ca -0.00 -0.08 -0.07 0.00 2.00 0.00 0.00 58.73 60.58 1nf6 h TYR 139 Cb 0.10 -0.22 -0.02 0.00 1.00 0.00 0.00 36.73 37.59 1nf6 h TYR 139 CO -0.08 0.67 0.00 0.93 -0.00 0.00 0.00 178.16 179.68 1nf6 h GLU 140 N 0.71 0.73 -0.22 4.88 5.08 -0.77 -2.30 114.58 122.69 1nf6 h GLU 140 Ca 0.15 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1nf6 h GLU 140 Cb 0.33 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1nf6 h GLU 140 CO 0.00 0.74 -0.03 -0.91 -1.00 0.00 0.00 179.01 177.82 1nf6 h ASN 141 N 0.69 0.41 -0.31 1.42 2.35 -0.19 -1.51 115.58 118.45 1nf6 h ASN 141 Ca 0.14 -0.34 -0.06 0.00 -0.55 0.00 0.00 56.30 55.49 1nf6 h ASN 141 Cb 0.42 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1nf6 h ASN 141 CO 0.02 0.66 -0.03 0.40 -1.65 0.00 0.00 177.43 176.83 1nf6 h ILE 142 N 0.16 1.27 -0.95 2.81 1.08 -1.49 -1.97 117.51 118.41 1nf6 h ILE 142 Ca 0.06 -1.01 0.18 0.00 -0.39 0.00 0.00 64.86 63.70 1nf6 h ILE 142 Cb 0.46 1.31 -0.09 0.00 -3.07 0.00 0.00 36.82 35.44 1nf6 h ILE 142 CO 0.02 0.33 0.61 1.23 -0.69 0.00 0.00 178.15 179.64 1nf6 h GLY 143 N 0.35 1.37 1.03 5.37 0.00 -1.36 -0.22 103.07 109.61 1nf6 h GLY 143 Ca 0.08 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.03 1nf6 h GLY 143 CO 0.02 0.01 -0.04 0.23 0.00 0.00 0.00 176.54 176.76 1nf6 h SER 144 N 0.66 0.89 -0.19 0.19 0.87 -0.81 -2.69 113.55 112.48 1nf6 h SER 144 Ca 0.51 -0.32 -0.09 0.00 -1.23 0.00 0.00 61.79 60.66 1nf6 h SER 144 Cb 0.92 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1nf6 h SER 144 CO -0.27 1.00 -0.24 0.45 -0.53 0.00 0.00 176.83 177.24 1nf6 h HIS 145 N 0.76 0.60 -0.56 2.24 -0.00 -0.35 0.08 115.15 117.93 1nf6 h HIS 145 Ca 0.14 -0.19 0.06 0.00 -0.00 0.00 0.00 60.37 60.37 1nf6 h HIS 145 Cb 0.57 -0.12 -0.05 0.00 -0.00 0.00 0.00 27.41 27.80 1nf6 h HIS 145 CO 0.04 0.88 0.27 0.82 -0.00 0.00 0.00 177.93 179.94 1nf6 h ILE 146 N 0.15 0.91 -0.59 2.45 2.04 -1.24 1.36 117.51 122.59 1nf6 h ILE 146 Ca 0.02 -0.17 -0.09 0.00 1.00 0.00 0.00 64.86 65.62 1nf6 h ILE 146 Cb 0.80 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1nf6 h ILE 146 CO 0.06 0.09 0.04 0.50 0.00 0.00 0.00 178.15 178.83 1nf6 h LYS 147 N 0.50 1.02 0.05 2.37 1.63 -1.42 0.67 116.57 121.40 1nf6 h LYS 147 Ca 0.26 -0.31 -0.27 0.00 -0.85 0.00 0.00 60.65 59.48 1nf6 h LYS 147 Cb 0.20 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.70 1nf6 h LYS 147 CO -0.20 0.99 -1.42 -0.91 -3.45 0.00 0.00 179.45 174.47 1nf6 h ASN 148 N 0.92 0.16 0.00 4.20 -0.26 -0.32 -3.40 115.58 116.88 1nf6 h ASN 148 Ca 0.17 -0.23 -0.00 0.00 -0.56 0.00 0.00 56.30 55.68 1nf6 h ASN 148 Cb 0.51 -0.05 -0.00 0.00 -1.06 0.00 0.00 38.32 37.71 1nf6 h ASN 148 CO 0.02 1.19 -1.02 0.18 -1.06 0.00 0.00 177.43 176.75 1nf6 n LEU 149 N -3.31 0.00 0.00 1.61 4.77 0.46 -5.06 117.00 115.47 1nf6 n LEU 149 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1nf6 n LEU 149 Cb 1.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 1nf6 n LEU 149 CO 0.48 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1nf6 n GLY 150 N 2.65 2.70 0.37 -0.72 0.00 0.23 -2.84 105.19 107.60 1nf6 n GLY 150 Ca -0.00 -0.35 0.19 0.00 0.00 0.00 0.00 46.02 45.86 1nf6 n GLY 150 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nf6 h ASP 151 N 8.29 0.00 -0.38 1.61 3.32 -1.94 1.07 116.42 128.39 1nf6 h ASP 151 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1nf6 h ASP 151 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1nf6 h ASP 151 CO 0.00 0.00 0.04 0.74 -1.72 0.00 0.00 179.24 178.30 1nf6 h THR 152 N 0.00 1.23 -0.02 0.35 2.02 -1.93 -1.45 112.91 113.11 1nf6 h THR 152 Ca 0.15 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 1nf6 h THR 152 Cb 0.97 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1nf6 h THR 152 CO -0.00 0.32 -0.03 0.22 0.37 0.00 0.00 175.52 176.40 1nf6 h TYR 153 N 0.70 0.06 -0.67 3.16 3.20 0.11 -3.19 116.97 120.34 1nf6 h TYR 153 Ca 0.15 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 1nf6 h TYR 153 Cb 0.37 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 1nf6 h TYR 153 CO 0.02 0.59 0.35 -0.07 -1.64 0.00 0.00 178.16 177.41 1nf6 h LEU 154 N -0.49 0.83 -1.97 2.82 3.38 -1.46 -1.54 115.31 116.87 1nf6 h LEU 154 Ca 0.00 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1nf6 h LEU 154 Cb 0.58 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1nf6 h LEU 154 CO 0.01 0.68 0.12 0.00 0.09 0.00 0.00 178.44 179.34 1nf6 h ALA 155 N 1.46 2.13 -0.09 1.53 0.00 -1.29 0.16 119.26 123.15 1nf6 h ALA 155 Ca 0.24 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 1nf6 h ALA 155 Cb 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1nf6 h ALA 155 CO -0.04 -0.17 -0.57 -0.22 0.00 0.00 0.00 179.25 178.25 1nf6 h LYS 156 N 0.03 0.28 0.00 0.00 3.64 -1.26 -3.25 116.57 116.00 1nf6 h LYS 156 Ca 0.08 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1nf6 h LYS 156 Cb 0.29 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1nf6 h LYS 156 CO -0.00 0.77 -0.74 0.82 -2.27 0.00 0.00 179.45 178.03 1nf6 h ILE 157 N 0.21 0.08 -2.46 2.00 1.08 -0.68 -3.45 117.51 114.29 1nf6 h ILE 157 Ca -0.00 -1.13 -0.53 0.00 -0.39 0.00 0.00 64.86 62.80 1nf6 h ILE 157 Cb 1.07 1.72 0.01 0.00 -3.07 0.00 0.00 36.82 36.55 1nf6 h ILE 157 CO 0.09 0.04 1.18 0.00 -0.69 0.00 0.00 178.15 178.77 1nf6 s ALA 158 N -3.27 3.61 0.00 1.87 0.00 -0.01 -1.86 121.76 122.10 1nf6 s ALA 158 Ca 0.02 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1nf6 s ALA 158 Cb 0.08 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1nf6 s ALA 158 CO 0.76 -1.48 0.00 0.41 0.00 0.00 0.00 175.76 175.45 1nf6 n GLY 159 N 4.39 0.89 3.80 0.00 0.00 -1.08 -5.01 105.19 108.17 1nf6 n GLY 159 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1nf6 n GLY 159 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nf6 s THR 160 N -2.51 3.68 0.67 2.61 -4.23 -0.77 -4.95 115.64 110.13 1nf6 s THR 160 Ca 0.00 0.85 -0.17 0.00 -1.18 0.00 0.00 61.69 61.18 1nf6 s THR 160 Cb 0.00 -3.35 -0.00 0.00 1.34 0.00 0.00 72.50 70.49 1nf6 s THR 160 CO 0.00 -0.42 1.21 -2.65 -0.54 0.00 0.00 174.62 172.22 1nf6 n PRO 161 N -1.88 0.90 -0.10 3.99 -0.02 -1.26 -3.65 135.00 132.99 1nf6 n PRO 161 Ca 0.09 0.37 0.05 0.00 -2.02 0.00 0.00 63.50 61.99 1nf6 n PRO 161 Cb 0.53 -2.44 0.10 0.00 -0.02 0.00 0.00 33.50 31.66 1nf6 n PRO 161 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1nf6 n SER 162 N -1.92 2.44 -4.72 2.55 3.41 -1.26 -3.14 113.62 110.98 1nf6 n SER 162 Ca 0.15 -1.77 -0.42 0.00 -0.26 0.00 0.00 58.87 56.57 1nf6 n SER 162 Cb 0.48 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 1nf6 n SER 162 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1nf6 n SER 163 N 0.46 4.01 -0.80 4.04 2.88 -1.26 -4.42 113.62 118.53 1nf6 n SER 163 Ca 0.09 1.07 0.07 0.00 -1.33 0.00 0.00 58.87 58.77 1nf6 n SER 163 Cb 0.35 -1.58 0.18 0.00 -0.75 0.00 0.00 64.21 62.40 1nf6 n SER 163 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1nf6 n THR 164 N 3.71 0.82 0.00 2.46 -2.24 -1.26 -4.92 114.28 112.85 1nf6 n THR 164 Ca 0.15 -0.91 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1nf6 n THR 164 Cb 0.35 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 1nf6 n THR 164 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nf6 n GLY 165 N 0.84 0.36 3.77 3.38 0.00 -1.26 -5.04 105.19 107.23 1nf6 n GLY 165 Ca 0.14 -2.19 -0.34 0.00 0.00 0.00 0.00 46.02 43.63 1nf6 n GLY 165 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nf6 s THR 166 N 0.00 3.10 0.51 2.61 -1.32 -1.26 -4.96 115.64 114.32 1nf6 s THR 166 Ca 0.00 0.58 -0.22 0.00 -1.21 0.00 0.00 61.69 60.84 1nf6 s THR 166 Cb 0.00 -3.13 -0.06 0.00 -1.51 0.00 0.00 72.50 67.80 1nf6 s THR 166 CO 0.00 -0.26 1.26 0.00 -2.21 0.00 0.00 174.62 173.41 1nf6 s ALA 167 N -2.10 2.87 -0.22 11.08 0.00 -1.26 -4.88 121.76 127.26 1nf6 s ALA 167 Ca 0.70 1.12 -0.20 0.00 0.00 0.00 0.00 51.96 53.59 1nf6 s ALA 167 Cb -0.23 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 19.33 1nf6 s ALA 167 CO 0.37 -1.03 0.88 -1.13 0.00 0.00 0.00 175.76 174.85 1nf6 n SER 168 N -0.83 0.38 -4.62 0.00 3.41 -1.26 -4.85 113.62 105.86 1nf6 n SER 168 Ca 0.09 0.36 -0.43 0.00 -0.26 0.00 0.00 58.87 58.63 1nf6 n SER 168 Cb 0.47 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 1nf6 n SER 168 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1nf6 s LYS 169 N 2.29 3.63 0.00 4.33 -2.85 -1.26 -4.93 119.74 120.95 1nf6 s LYS 169 Ca 0.51 1.57 0.00 0.00 -1.00 0.00 0.00 55.97 57.05 1nf6 s LYS 169 Cb -0.66 -4.09 0.00 0.00 -2.06 0.00 0.00 37.83 31.02 1nf6 s LYS 169 CO 0.31 -1.50 0.00 0.41 0.10 0.00 0.00 175.35 174.67 1nf6 n GLY 170 N 4.95 4.75 0.11 0.59 0.00 -1.26 -5.07 105.19 109.25 1nf6 n GLY 170 Ca 0.20 -2.06 -0.20 0.00 0.00 0.00 0.00 46.02 43.96 1nf6 n GLY 170 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1nf6 h PHE 171 N 0.11 0.37 0.00 1.61 3.57 -2.05 -3.56 116.94 116.99 1nf6 h PHE 171 Ca 0.00 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1nf6 h PHE 171 Cb 0.00 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1nf6 h PHE 171 CO 0.00 1.39 0.00 1.33 -2.23 0.00 0.00 178.31 178.80