#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nf6 h ARG 5 N 0.00 -0.47 -0.85 1.20 2.47 -2.00 -0.29 114.38 114.44 1nf6 h ARG 5 Ca 0.00 0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.76 1nf6 h ARG 5 Cb 0.00 0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 28.39 1nf6 h ARG 5 CO 0.00 -0.31 0.56 0.93 0.56 0.00 0.00 179.97 181.70 1nf6 h GLU 6 N -0.49 1.12 -0.67 0.04 3.07 -2.00 -2.38 114.58 113.27 1nf6 h GLU 6 Ca 0.06 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 58.80 1nf6 h GLU 6 Cb 0.64 -0.25 -0.03 0.00 -0.84 0.00 0.00 28.75 28.27 1nf6 h GLU 6 CO -0.49 0.75 0.21 -0.44 -1.40 0.00 0.00 179.01 177.64 1nf6 h ASP 7 N 1.16 0.95 -0.26 1.42 3.32 -1.85 -1.27 116.42 119.88 1nf6 h ASP 7 Ca 0.31 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 1nf6 h ASP 7 Cb -0.12 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.16 1nf6 h ASP 7 CO -0.07 0.89 0.08 0.03 -1.72 0.00 0.00 179.24 178.45 1nf6 h ARG 8 N 0.99 0.48 0.10 3.56 3.08 -0.64 -2.47 114.38 119.48 1nf6 h ARG 8 Ca 0.22 -0.07 -0.28 0.00 0.07 0.00 0.00 59.98 59.92 1nf6 h ARG 8 Cb 0.28 -0.09 0.02 0.00 0.08 0.00 0.00 29.97 30.26 1nf6 h ARG 8 CO -0.01 0.45 -1.18 0.87 -1.07 0.00 0.00 179.97 179.03 1nf6 h LYS 9 N 0.48 0.46 -0.68 0.04 1.57 -0.87 -3.15 116.57 114.41 1nf6 h LYS 9 Ca 0.11 -0.63 -0.04 0.00 -1.87 0.00 0.00 60.65 58.22 1nf6 h LYS 9 Cb 0.19 0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 1nf6 h LYS 9 CO -0.00 1.26 0.25 0.00 -0.57 0.00 0.00 179.45 180.39 1nf6 h ALA 10 N 0.49 1.16 -0.11 3.86 0.00 -1.04 -0.64 119.26 122.98 1nf6 h ALA 10 Ca -0.15 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.40 1nf6 h ALA 10 Cb 1.86 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 1nf6 h ALA 10 CO 0.21 0.60 -0.68 0.87 0.00 0.00 0.00 179.25 180.25 1nf6 h LYS 11 N 0.99 0.44 0.05 0.00 1.57 -1.54 -2.45 116.57 115.63 1nf6 h LYS 11 Ca 0.23 -0.33 -0.27 0.00 -1.87 0.00 0.00 60.65 58.40 1nf6 h LYS 11 Cb 0.22 0.06 0.02 0.00 0.08 0.00 0.00 32.23 32.61 1nf6 h LYS 11 CO -0.02 0.96 -1.10 0.28 -0.57 0.00 0.00 179.45 179.00 1nf6 h VAL 12 N 0.31 1.31 -0.84 0.50 2.07 -1.47 -2.93 116.25 115.21 1nf6 h VAL 12 Ca -0.02 -2.39 0.08 0.00 0.82 0.00 0.00 66.70 65.19 1nf6 h VAL 12 Cb 1.24 2.51 -0.07 0.00 -1.52 0.00 0.00 31.29 33.46 1nf6 h VAL 12 CO 0.12 0.73 0.50 0.40 0.02 0.00 0.00 177.57 179.34 1nf6 h ILE 13 N 0.31 0.96 -0.54 4.57 2.04 -1.14 0.24 117.51 123.96 1nf6 h ILE 13 Ca -0.14 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 65.46 1nf6 h ILE 13 Cb 1.76 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 1nf6 h ILE 13 CO 0.21 0.16 0.29 -0.08 0.00 0.00 0.00 178.15 178.73 1nf6 h GLU 14 N 0.87 0.55 0.00 2.37 4.81 -1.35 0.64 114.58 122.46 1nf6 h GLU 14 Ca 0.39 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.43 1nf6 h GLU 14 Cb 0.29 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1nf6 h GLU 14 CO -0.22 0.36 -0.77 -0.39 -0.73 0.00 0.00 179.01 177.27 1nf6 h VAL 15 N 0.56 1.51 -0.55 0.32 -1.51 -1.19 -1.36 116.25 114.03 1nf6 h VAL 15 Ca 0.24 -2.67 -0.07 0.00 -1.23 0.00 0.00 66.70 62.97 1nf6 h VAL 15 Cb 0.12 2.45 -0.02 0.00 -2.13 0.00 0.00 31.29 31.71 1nf6 h VAL 15 CO -0.15 0.75 0.07 -0.07 -1.23 0.00 0.00 177.57 176.94 1nf6 h LEU 16 N 0.00 0.89 -0.68 4.19 3.38 0.64 -0.56 115.31 123.16 1nf6 h LEU 16 Ca -0.01 -0.27 -0.14 0.00 0.09 0.00 0.00 57.88 57.55 1nf6 h LEU 16 Cb 1.39 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1nf6 h LEU 16 CO 0.10 0.94 -0.53 0.78 0.09 0.00 0.00 178.44 179.82 1nf6 h ASN 17 N 0.81 0.38 -0.83 -0.43 2.35 0.32 0.11 115.58 118.29 1nf6 h ASN 17 Ca 0.16 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1nf6 h ASN 17 Cb 0.44 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.66 1nf6 h ASN 17 CO 0.02 0.84 0.47 0.11 -1.65 0.00 0.00 177.43 177.22 1nf6 h LYS 18 N 0.27 1.14 -0.12 0.81 1.57 -0.96 -1.50 116.57 117.79 1nf6 h LYS 18 Ca 0.01 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.59 1nf6 h LYS 18 Cb 1.02 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 1nf6 h LYS 18 CO 0.09 0.83 -0.20 0.00 -0.57 0.00 0.00 179.45 179.60 1nf6 h ALA 19 N 1.25 0.19 -0.62 3.86 0.00 -0.82 -3.04 119.26 120.08 1nf6 h ALA 19 Ca 0.29 -0.37 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1nf6 h ALA 19 Cb 0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1nf6 h ALA 19 CO -0.05 0.13 0.33 -0.09 0.00 0.00 0.00 179.25 179.56 1nf6 h ARG 20 N -0.07 0.59 -0.31 0.00 2.43 -0.66 -0.89 114.38 115.46 1nf6 h ARG 20 Ca 0.01 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1nf6 h ARG 20 Cb 0.78 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 1nf6 h ARG 20 CO 0.05 0.39 0.21 0.00 -1.51 0.00 0.00 179.97 179.10 1nf6 h ALA 21 N 1.34 1.90 -0.01 2.80 0.00 -1.28 -0.03 119.26 123.98 1nf6 h ALA 21 Ca 0.29 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 1nf6 h ALA 21 Cb 0.21 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1nf6 h ALA 21 CO -0.20 0.07 -0.65 0.52 0.00 0.00 0.00 179.25 178.99 1nf6 h MET 22 N 0.32 0.02 0.06 0.00 2.86 -1.07 -1.61 114.93 115.52 1nf6 h MET 22 Ca 0.13 -0.02 -0.24 0.00 -2.06 0.00 0.00 59.70 57.51 1nf6 h MET 22 Cb 0.11 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 1nf6 h MET 22 CO -0.03 0.66 -1.08 0.93 1.06 0.00 0.00 176.91 178.46 1nf6 h GLU 23 N 0.02 0.23 -0.54 1.72 4.39 -0.58 -2.30 114.58 117.51 1nf6 h GLU 23 Ca -0.01 -0.33 -0.08 0.00 0.34 0.00 0.00 59.36 59.28 1nf6 h GLU 23 Cb 1.15 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.89 1nf6 h GLU 23 CO 0.09 1.11 0.03 -0.07 -1.16 0.00 0.00 179.01 179.01 1nf6 h LEU 24 N 0.09 0.87 -0.26 1.33 3.38 -0.97 -0.10 115.31 119.65 1nf6 h LEU 24 Ca -0.09 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1nf6 h LEU 24 Cb 1.78 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 1nf6 h LEU 24 CO 0.17 0.91 0.05 -0.74 0.09 0.00 0.00 178.44 178.92 1nf6 h HIS 25 N 0.84 0.45 -0.49 1.13 2.76 -1.37 -3.00 115.15 115.46 1nf6 h HIS 25 Ca 0.16 -0.06 0.01 0.00 -2.20 0.00 0.00 60.37 58.29 1nf6 h HIS 25 Cb 0.45 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.26 1nf6 h HIS 25 CO 0.03 0.52 0.33 0.00 -1.30 0.00 0.00 177.93 177.50 1nf6 h ALA 26 N 0.87 1.69 -0.24 5.26 0.00 -1.11 -0.10 119.26 125.63 1nf6 h ALA 26 Ca 0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1nf6 h ALA 26 Cb 0.31 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1nf6 h ALA 26 CO 0.00 0.28 0.05 0.82 0.00 0.00 0.00 179.25 180.39 1nf6 h ILE 27 N 0.63 1.22 -0.53 0.00 2.04 -0.88 -1.44 117.51 118.55 1nf6 h ILE 27 Ca 0.19 -0.74 -0.08 0.00 1.00 0.00 0.00 64.86 65.23 1nf6 h ILE 27 Cb -0.02 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1nf6 h ILE 27 CO -0.04 0.24 0.03 0.45 0.00 0.00 0.00 178.15 178.82 1nf6 h HIS 28 N 0.21 1.00 -0.05 1.37 3.86 -1.40 -1.99 115.15 118.15 1nf6 h HIS 28 Ca 0.07 -0.16 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 1nf6 h HIS 28 Cb 0.31 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 1nf6 h HIS 28 CO 0.02 0.91 -0.02 0.37 0.86 0.00 0.00 177.93 180.06 1nf6 h GLN 29 N 0.80 0.10 -0.30 2.45 5.75 -0.89 -1.26 115.11 121.76 1nf6 h GLN 29 Ca 0.15 -0.04 -0.18 0.00 -0.15 0.00 0.00 58.65 58.43 1nf6 h GLN 29 Cb 0.49 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.04 1nf6 h GLN 29 CO 0.02 0.49 -0.53 1.88 -2.65 0.00 0.00 178.83 178.04 1nf6 h TYR 30 N -0.29 1.11 -0.77 3.99 0.99 -1.34 -2.05 116.97 118.60 1nf6 h TYR 30 Ca 0.01 -0.39 0.02 0.00 2.00 0.00 0.00 58.73 60.37 1nf6 h TYR 30 Cb 0.46 -0.21 -0.04 0.00 1.00 0.00 0.00 36.73 37.94 1nf6 h TYR 30 CO 0.07 1.22 0.50 0.52 -0.00 0.00 0.00 178.16 180.47 1nf6 h MET 31 N 0.68 0.98 -0.68 4.88 2.86 -1.40 0.22 114.93 122.46 1nf6 h MET 31 Ca 0.02 -0.06 0.10 0.00 -2.06 0.00 0.00 59.70 57.70 1nf6 h MET 31 Cb 1.14 -0.22 -0.07 0.00 0.06 0.00 0.00 31.60 32.51 1nf6 h MET 31 CO 0.12 0.65 0.30 -0.97 1.06 0.00 0.00 176.91 178.07 1nf6 h ASN 32 N 1.01 0.35 0.76 1.22 -1.24 -1.05 0.70 115.58 117.33 1nf6 h ASN 32 Ca 0.29 0.07 -0.07 0.00 0.71 0.00 0.00 56.30 57.30 1nf6 h ASN 32 Cb -0.07 0.02 -0.01 0.00 0.73 0.00 0.00 38.32 38.99 1nf6 h ASN 32 CO -0.08 0.19 -0.34 1.56 -1.29 0.00 0.00 177.43 177.48 1nf6 h GLN 33 N 0.51 0.00 -0.43 6.67 4.20 -0.57 -2.81 115.11 122.68 1nf6 h GLN 33 Ca 0.34 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.93 1nf6 h GLN 33 Cb 0.41 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1nf6 h GLN 33 CO -0.30 0.34 -0.23 1.25 -0.67 0.00 0.00 178.83 179.21 1nf6 h HIS 34 N 0.00 1.01 -0.27 2.96 2.76 0.16 -0.09 115.15 121.67 1nf6 h HIS 34 Ca -0.00 -0.24 -0.07 0.00 -2.20 0.00 0.00 60.37 57.86 1nf6 h HIS 34 Cb 0.81 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.52 1nf6 h HIS 34 CO 0.00 1.02 -0.14 1.88 -1.30 0.00 0.00 177.93 179.39 1nf6 h TYR 35 N 0.76 0.48 -0.01 5.26 0.99 -0.81 0.22 116.97 123.85 1nf6 h TYR 35 Ca 0.10 -0.07 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 1nf6 h TYR 35 Cb 0.78 -0.13 0.00 0.00 1.00 0.00 0.00 36.73 38.38 1nf6 h TYR 35 CO 0.05 0.57 -0.08 0.77 -0.00 0.00 0.00 178.16 179.47 1nf6 h SER 36 N 0.42 0.09 -0.85 3.88 0.02 -1.30 -2.07 113.55 113.73 1nf6 h SER 36 Ca 0.08 -0.72 0.06 0.00 -0.84 0.00 0.00 61.79 60.37 1nf6 h SER 36 Cb 0.49 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.95 1nf6 h SER 36 CO 0.03 0.79 0.56 -0.07 -1.14 0.00 0.00 176.83 176.99 1nf6 h LEU 37 N -0.61 0.85 -0.27 5.07 3.38 -0.93 0.40 115.31 123.19 1nf6 h LEU 37 Ca -0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1nf6 h LEU 37 Cb 0.79 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1nf6 h LEU 37 CO 0.02 0.55 -0.38 -0.78 0.09 0.00 0.00 178.44 177.94 1nf6 h ASP 38 N 0.96 0.81 -0.19 -0.43 3.58 -0.99 -0.76 116.42 119.40 1nf6 h ASP 38 Ca 0.36 -0.50 -0.04 0.00 0.42 0.00 0.00 57.03 57.27 1nf6 h ASP 38 Cb 0.19 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 1nf6 h ASP 38 CO -0.13 1.15 0.03 -0.78 -2.88 0.00 0.00 179.24 176.63 1nf6 h ASP 39 N 0.48 0.39 0.84 2.28 3.58 -0.81 0.79 116.42 123.98 1nf6 h ASP 39 Ca 0.03 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1nf6 h ASP 39 Cb 0.97 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.92 1nf6 h ASP 39 CO 0.09 0.44 0.00 0.23 -2.88 0.00 0.00 179.24 177.12 1nf6 n MET 40 N -4.33 0.02 -2.51 0.28 2.81 0.08 -4.90 117.12 108.57 1nf6 n MET 40 Ca 0.01 0.07 -0.08 0.00 -1.81 0.00 0.00 57.70 55.88 1nf6 n MET 40 Cb 0.20 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.22 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 -1.49 -3.23 -4.12 7.83 2.03 0.27 -4.88 116.55 112.96 1nf6 n ASP 41 Ca 0.06 -0.10 -0.44 0.00 0.52 0.00 0.00 54.79 54.84 1nf6 n ASP 41 Cb 0.29 -2.18 0.01 0.00 -0.72 0.00 0.00 41.12 38.51 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 -3.74 3.45 -0.28 -0.67 0.53 -0.36 -1.13 117.16 114.97 1nf6 n TYR 42 Ca -0.05 -3.07 -0.11 0.00 -1.02 0.00 0.00 57.90 53.65 1nf6 n TYR 42 Cb 0.55 -1.54 -0.09 0.00 -1.03 0.00 0.00 39.34 37.23 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 6.38 -1.05 1.21 2.72 0.00 -1.66 -1.03 103.07 109.64 1nf6 h GLY 43 Ca 0.22 0.79 -0.06 0.00 0.00 0.00 0.00 47.33 48.29 1nf6 h GLY 43 CO 1.27 -0.10 0.15 -2.09 0.00 0.00 0.00 176.54 175.76 1nf6 h GLU 44 N -0.15 0.98 -0.24 4.80 4.81 -1.73 -1.84 114.58 121.22 1nf6 h GLU 44 Ca 0.11 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 59.08 1nf6 h GLU 44 Cb 0.44 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1nf6 h GLU 44 CO -0.72 0.87 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.35 1nf6 h LEU 45 N 0.94 0.42 -1.55 1.64 3.38 -1.80 -2.58 115.31 115.77 1nf6 h LEU 45 Ca 0.20 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1nf6 h LEU 45 Cb 0.33 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1nf6 h LEU 45 CO -0.00 0.63 0.20 0.00 0.09 0.00 0.00 178.44 179.36 1nf6 h ALA 46 N 0.80 1.66 -0.00 1.53 0.00 -1.06 -1.90 119.26 120.28 1nf6 h ALA 46 Ca 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1nf6 h ALA 46 Cb 0.43 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1nf6 h ALA 46 CO 0.01 0.29 -0.03 0.00 0.00 0.00 0.00 179.25 179.52 1nf6 h ALA 47 N 1.71 0.01 -0.12 0.00 0.00 -1.19 -2.65 119.26 117.03 1nf6 h ALA 47 Ca 0.13 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1nf6 h ALA 47 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1nf6 h ALA 47 CO -0.02 -0.10 -0.17 -0.91 0.00 0.00 0.00 179.25 178.05 1nf6 h ASN 48 N -0.69 0.18 -0.48 0.00 2.35 -1.46 -0.54 115.58 114.93 1nf6 h ASN 48 Ca -0.00 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 1nf6 h ASN 48 Cb 0.77 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 39.07 1nf6 h ASN 48 CO 0.01 0.37 0.22 -0.03 -1.65 0.00 0.00 177.43 176.34 1nf6 h MET 49 N 0.18 0.70 -0.36 0.81 4.05 -1.34 -0.69 114.93 118.27 1nf6 h MET 49 Ca 0.03 -0.11 -0.10 0.00 -0.28 0.00 0.00 59.70 59.24 1nf6 h MET 49 Cb 0.41 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.07 1nf6 h MET 49 CO 0.03 0.61 -0.20 -0.22 0.23 0.00 0.00 176.91 177.35 1nf6 h LYS 50 N 0.64 0.69 -0.62 0.39 3.64 -1.08 -2.02 116.57 118.21 1nf6 h LYS 50 Ca 0.16 -0.26 -0.03 0.00 -1.27 0.00 0.00 60.65 59.25 1nf6 h LYS 50 Cb 0.15 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1nf6 h LYS 50 CO -0.02 0.84 0.26 -0.07 -2.27 0.00 0.00 179.45 178.20 1nf6 h LEU 51 N 0.61 0.84 -0.31 5.20 3.38 -0.76 -1.56 115.31 122.70 1nf6 h LEU 51 Ca 0.09 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1nf6 h LEU 51 Cb 0.68 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1nf6 h LEU 51 CO 0.05 0.76 -0.04 0.40 0.09 0.00 0.00 178.44 179.70 1nf6 h ILE 52 N 0.86 1.27 -0.84 1.22 2.04 -0.99 -1.54 117.51 119.52 1nf6 h ILE 52 Ca 0.21 -1.05 0.16 0.00 1.00 0.00 0.00 64.86 65.18 1nf6 h ILE 52 Cb 0.17 1.33 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 1nf6 h ILE 52 CO -0.02 0.34 0.55 0.00 0.00 0.00 0.00 178.15 179.02 1nf6 h ALA 53 N 0.81 2.06 -0.26 1.87 0.00 -1.18 0.73 119.26 123.28 1nf6 h ALA 53 Ca 0.08 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1nf6 h ALA 53 Cb 0.51 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1nf6 h ALA 53 CO 0.02 -0.30 -0.47 0.82 0.00 0.00 0.00 179.25 179.33 1nf6 h ILE 54 N 0.49 1.30 -0.79 0.00 2.04 -0.73 -0.54 117.51 119.29 1nf6 h ILE 54 Ca 0.42 -1.66 0.04 0.00 1.00 0.00 0.00 64.86 64.66 1nf6 h ILE 54 Cb 0.91 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 38.53 1nf6 h ILE 54 CO -0.16 0.53 0.49 0.44 0.00 0.00 0.00 178.15 179.45 1nf6 h ASP 55 N 0.55 0.79 0.12 1.72 3.32 0.06 -1.78 116.42 121.20 1nf6 h ASP 55 Ca 0.03 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 1nf6 h ASP 55 Cb 1.02 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 1nf6 h ASP 55 CO 0.10 0.53 -0.29 -0.33 -1.72 0.00 0.00 179.24 177.52 1nf6 h GLU 56 N 0.93 0.28 0.00 3.56 4.39 -0.67 -0.41 114.58 122.67 1nf6 h GLU 56 Ca 0.33 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1nf6 h GLU 56 Cb 0.08 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1nf6 h GLU 56 CO -0.14 0.56 -0.03 0.52 -1.16 0.00 0.00 179.01 178.76 1nf6 h MET 57 N 0.25 -0.05 -0.79 2.33 2.86 -0.39 0.22 114.93 119.37 1nf6 h MET 57 Ca 0.04 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1nf6 h MET 57 Cb 0.65 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.27 1nf6 h MET 57 CO 0.05 -0.03 0.49 -0.09 1.06 0.00 0.00 176.91 178.39 1nf6 h ARG 58 N -0.05 0.91 -0.38 1.72 2.43 -1.07 -0.78 114.38 117.15 1nf6 h ARG 58 Ca 0.01 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1nf6 h ARG 58 Cb 0.06 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 1nf6 h ARG 58 CO -0.03 0.60 0.21 0.45 -1.51 0.00 0.00 179.97 179.70 1nf6 h HIS 59 N 0.94 0.39 -0.47 2.20 3.86 -0.54 0.56 115.15 122.09 1nf6 h HIS 59 Ca 0.33 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.59 1nf6 h HIS 59 Cb 0.07 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.38 1nf6 h HIS 59 CO -0.04 0.22 0.23 0.00 0.86 0.00 0.00 177.93 179.21 1nf6 h ALA 60 N 1.18 0.59 -0.45 2.45 0.00 0.20 -1.10 119.26 122.13 1nf6 h ALA 60 Ca 0.16 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1nf6 h ALA 60 Cb 0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1nf6 h ALA 60 CO -0.09 -0.12 0.12 1.49 0.00 0.00 0.00 179.25 180.65 1nf6 h GLU 61 N 0.46 0.71 -0.58 0.00 4.81 -0.92 -1.15 114.58 117.92 1nf6 h GLU 61 Ca 0.21 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1nf6 h GLU 61 Cb 0.12 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1nf6 h GLU 61 CO -0.15 0.71 0.20 -0.91 -0.73 0.00 0.00 179.01 178.13 1nf6 h ASN 62 N 0.59 0.83 -0.34 1.04 -0.26 -0.66 0.89 115.58 117.68 1nf6 h ASN 62 Ca 0.14 -0.19 0.03 0.00 -0.56 0.00 0.00 56.30 55.71 1nf6 h ASN 62 Cb 0.31 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 37.32 1nf6 h ASN 62 CO -0.00 0.80 0.16 -0.26 -1.06 0.00 0.00 177.43 177.07 1nf6 h PHE 63 N 0.82 0.30 -0.69 1.19 0.05 -1.05 -1.69 116.94 115.86 1nf6 h PHE 63 Ca 0.19 0.01 0.01 0.00 3.82 0.00 0.00 57.97 62.01 1nf6 h PHE 63 Cb 0.25 -0.09 -0.04 0.00 2.00 0.00 0.00 35.95 38.08 1nf6 h PHE 63 CO 0.02 0.16 0.45 0.00 -0.18 0.00 0.00 178.31 178.75 1nf6 h ALA 64 N 1.18 0.88 -0.89 2.45 0.00 -0.94 -0.80 119.26 121.13 1nf6 h ALA 64 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nf6 h ALA 64 Cb 0.06 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1nf6 h ALA 64 CO -0.10 0.28 0.56 0.93 0.00 0.00 0.00 179.25 180.91 1nf6 h GLU 65 N 0.91 1.20 -0.24 0.00 5.08 -0.20 -0.99 114.58 120.34 1nf6 h GLU 65 Ca 0.26 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.37 1nf6 h GLU 65 Cb -0.08 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 28.91 1nf6 h GLU 65 CO -0.07 0.82 -0.50 -0.09 -1.00 0.00 0.00 179.01 178.18 1nf6 h ARG 66 N 1.22 0.66 -0.21 2.33 9.65 -0.96 -1.79 114.38 125.28 1nf6 h ARG 66 Ca 0.32 -0.39 0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1nf6 h ARG 66 Cb -0.09 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.51 1nf6 h ARG 66 CO -0.06 1.00 0.10 0.82 2.80 0.00 0.00 179.97 184.63 1nf6 h ILE 67 N 0.52 0.99 -0.54 1.20 2.04 -0.49 -0.96 117.51 120.28 1nf6 h ILE 67 Ca 0.02 -0.07 0.10 0.00 1.00 0.00 0.00 64.86 65.91 1nf6 h ILE 67 Cb 1.05 0.76 -0.08 0.00 -0.74 0.00 0.00 36.82 37.81 1nf6 h ILE 67 CO 0.10 0.04 0.09 0.11 0.00 0.00 0.00 178.15 178.49 1nf6 h LYS 68 N 0.22 0.22 0.00 2.37 1.79 -1.09 0.16 116.57 120.24 1nf6 h LYS 68 Ca 0.09 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1nf6 h LYS 68 Cb 0.02 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1nf6 h LYS 68 CO -0.06 0.15 -0.07 0.93 -1.08 0.00 0.00 179.45 179.32 1nf6 h GLU 69 N 0.23 0.00 -0.01 3.15 5.08 -0.36 -0.43 114.58 122.24 1nf6 h GLU 69 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1nf6 h GLU 69 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1nf6 h GLU 69 CO -0.37 0.07 -0.09 1.28 -1.00 0.00 0.00 179.01 178.90 1nf6 n LEU 70 N -4.41 0.93 0.00 1.33 4.77 -0.47 -4.91 117.00 114.24 1nf6 n LEU 70 Ca -0.03 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 1nf6 n LEU 70 Cb 0.15 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1nf6 n LEU 70 CO 0.34 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1nf6 n GLY 71 N 1.22 0.66 4.02 -0.72 0.00 -0.17 -4.90 105.19 105.30 1nf6 n GLY 71 Ca 0.17 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 1nf6 n GLY 71 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nf6 s GLY 72 N -2.30 1.72 -0.18 -0.02 0.00 0.48 -4.97 107.32 102.05 1nf6 s GLY 72 Ca 0.00 -2.07 0.01 0.00 0.00 0.00 0.00 44.72 42.66 1nf6 s GLY 72 CO 0.00 -1.51 -0.19 1.85 0.00 0.00 0.00 173.10 173.25 1nf6 s GLU 73 N -4.93 3.02 0.11 2.90 2.56 -1.26 -4.08 118.70 117.02 1nf6 s GLU 73 Ca 0.65 -0.82 -0.31 0.00 0.00 0.00 0.00 54.97 54.50 1nf6 s GLU 73 Cb -0.05 -2.59 -0.08 0.00 2.00 0.00 0.00 34.13 33.42 1nf6 s GLU 73 CO 0.42 -0.19 1.39 -2.14 -0.56 0.00 0.00 175.26 174.19 1nf6 s PRO 74 N 1.25 4.32 0.62 4.30 0.02 -1.26 -4.99 135.00 139.25 1nf6 s PRO 74 Ca 0.04 2.07 -0.18 0.00 0.02 0.00 0.00 61.00 62.95 1nf6 s PRO 74 Cb -0.13 -3.27 -0.02 0.00 0.02 0.00 0.00 34.50 31.10 1nf6 s PRO 74 CO -0.11 -0.45 1.20 -0.08 -0.33 0.00 0.00 177.00 177.24 1nf6 s THR 75 N 1.18 2.60 -0.68 0.99 -1.32 -1.26 -4.98 115.64 112.18 1nf6 s THR 75 Ca 0.65 0.36 0.07 0.00 -1.21 0.00 0.00 61.69 61.56 1nf6 s THR 75 Cb -0.37 -3.09 0.15 0.00 -1.51 0.00 0.00 72.50 67.68 1nf6 s THR 75 CO 0.30 -0.10 1.03 0.35 -2.21 0.00 0.00 174.62 173.99 1nf6 n THR 76 N -1.79 0.69 -5.03 5.08 -2.24 -1.26 -4.93 114.28 104.80 1nf6 n THR 76 Ca 0.13 -0.85 -0.31 0.00 -2.27 0.00 0.00 64.05 60.76 1nf6 n THR 76 Cb 0.50 0.70 -0.15 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.87 2.09 0.53 -0.78 1.11 -1.26 -5.12 119.66 115.36 1nf6 s GLN 77 Ca 0.13 -0.94 -0.14 0.00 0.01 0.00 0.00 55.36 54.42 1nf6 s GLN 77 Cb 0.07 -2.11 -0.06 0.00 -1.01 0.00 0.00 33.01 29.90 1nf6 s GLN 77 CO 0.10 0.56 0.96 -1.59 0.01 0.00 0.00 175.29 175.32 1nf6 s LYS 78 N -0.92 3.81 -0.33 2.91 -2.85 -1.26 -4.49 119.74 116.62 1nf6 s LYS 78 Ca 0.11 0.80 -0.15 0.00 -1.00 0.00 0.00 55.97 55.74 1nf6 s LYS 78 Cb -0.10 -2.16 -0.02 0.00 -2.06 0.00 0.00 37.83 33.49 1nf6 s LYS 78 CO 0.01 -0.32 0.37 -2.00 0.10 0.00 0.00 175.35 173.51 1nf6 s GLU 79 N -4.38 3.65 0.05 1.78 2.56 -0.67 -4.94 118.70 116.75 1nf6 s GLU 79 Ca 0.56 -0.33 0.00 0.00 0.00 0.00 0.00 54.97 55.20 1nf6 s GLU 79 Cb -0.10 -3.78 0.00 0.00 2.00 0.00 0.00 34.13 32.25 1nf6 s GLU 79 CO 0.38 -0.48 0.00 0.41 -0.56 0.00 0.00 175.26 175.01 1nf6 n GLY 80 N 4.91 -2.58 3.54 -1.50 0.00 -1.26 -4.74 105.19 103.56 1nf6 n GLY 80 Ca -0.09 -2.03 -0.31 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.34 2.30 -0.11 1.61 1.02 -1.26 -5.06 119.74 117.90 1nf6 s LYS 81 Ca 0.00 -0.88 -0.29 0.00 0.02 0.00 0.00 55.97 54.83 1nf6 s LYS 81 Cb 0.00 -2.35 -0.01 0.00 -0.52 0.00 0.00 37.83 34.95 1nf6 s LYS 81 CO 0.00 0.56 0.98 0.08 -0.92 0.00 0.00 175.35 176.05 1nf6 s VAL 82 N -1.01 4.81 -0.16 3.17 1.01 -1.26 -5.03 120.40 121.92 1nf6 s VAL 82 Ca 0.17 1.98 -0.17 0.00 0.00 0.00 0.00 61.98 63.96 1nf6 s VAL 82 Cb -0.11 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 1nf6 s VAL 82 CO 0.08 0.02 0.43 -0.69 0.00 0.00 0.00 175.10 174.95 1nf6 s VAL 83 N 1.94 5.19 0.40 2.92 1.01 -1.26 -5.09 120.40 125.51 1nf6 s VAL 83 Ca 0.47 0.82 0.07 0.00 0.00 0.00 0.00 61.98 63.35 1nf6 s VAL 83 Cb -0.18 -3.77 -0.07 0.00 0.00 0.00 0.00 36.38 32.35 1nf6 s VAL 83 CO 0.18 0.29 0.02 0.42 0.00 0.00 0.00 175.10 176.00 1nf6 s THR 84 N 0.99 2.08 -0.52 3.92 -4.23 -1.26 -4.72 115.64 111.89 1nf6 s THR 84 Ca 0.22 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 1nf6 s THR 84 Cb -0.15 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.73 1nf6 s THR 84 CO 0.08 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1nf6 n GLY 85 N -0.98 0.71 3.76 3.99 0.00 -1.26 -4.99 105.19 106.42 1nf6 n GLY 85 Ca -0.05 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.89 4.43 0.77 1.61 -0.21 -1.26 -5.00 119.66 118.11 1nf6 s GLN 86 Ca 0.00 2.08 -0.11 0.00 0.02 0.00 0.00 55.36 57.35 1nf6 s GLN 86 Cb 0.00 -3.13 0.06 0.00 1.00 0.00 0.00 33.01 30.94 1nf6 s GLN 86 CO 0.00 -0.10 1.11 0.00 -2.12 0.00 0.00 175.29 174.17 1nf6 s ALA 87 N -0.88 2.18 0.19 6.09 0.00 -1.26 -4.71 121.76 123.37 1nf6 s ALA 87 Ca 0.49 0.38 -0.17 0.00 0.00 0.00 0.00 51.96 52.67 1nf6 s ALA 87 Cb -0.37 -3.31 0.17 0.00 0.00 0.00 0.00 23.12 19.60 1nf6 s ALA 87 CO 0.47 -1.83 1.62 0.28 0.00 0.00 0.00 175.76 176.30 1nf6 h VAL 88 N -1.01 0.35 -0.26 0.00 2.07 -2.00 0.21 116.25 115.62 1nf6 h VAL 88 Ca -0.44 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1nf6 h VAL 88 Cb 1.24 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1nf6 h VAL 88 CO 0.50 0.00 0.04 -0.65 0.02 0.00 0.00 177.57 177.48 1nf6 h PRO 89 N -0.08 0.37 -0.10 1.57 0.11 -1.99 -2.44 132.00 129.44 1nf6 h PRO 89 Ca 0.25 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.19 1nf6 h PRO 89 Cb 0.47 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 1nf6 h PRO 89 CO -0.59 0.37 -0.45 0.28 -0.21 0.00 0.00 178.00 177.40 1nf6 h VAL 90 N 0.36 1.32 -0.05 3.15 2.07 -1.00 -2.40 116.25 119.71 1nf6 h VAL 90 Ca 0.09 -1.61 0.02 0.00 0.82 0.00 0.00 66.70 66.02 1nf6 h VAL 90 Cb 0.19 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1nf6 h VAL 90 CO 0.00 0.48 -0.07 0.40 0.02 0.00 0.00 177.57 178.40 1nf6 h ILE 91 N 0.20 0.80 0.00 4.57 2.04 -0.60 0.86 117.51 125.38 1nf6 h ILE 91 Ca 0.01 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.75 1nf6 h ILE 91 Cb 0.87 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 1nf6 h ILE 91 CO 0.07 0.00 -0.58 1.88 0.00 0.00 0.00 178.15 179.52 1nf6 h TYR 92 N -0.10 0.00 -0.18 1.37 -1.99 -1.53 0.02 116.97 114.55 1nf6 h TYR 92 Ca 0.05 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.72 1nf6 h TYR 92 Cb 0.17 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.89 1nf6 h TYR 92 CO -0.17 0.58 -0.12 1.49 -0.00 0.00 0.00 178.16 179.94 1nf6 h GLU 93 N 0.00 0.41 -0.47 4.88 4.81 -1.34 -1.20 114.58 121.67 1nf6 h GLU 93 Ca -0.01 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 58.96 1nf6 h GLU 93 Cb 1.44 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.80 1nf6 h GLU 93 CO 0.08 0.73 0.03 0.77 -0.73 0.00 0.00 179.01 179.89 1nf6 h SER 94 N 0.08 0.78 -0.50 1.04 0.02 -0.74 -2.64 113.55 111.59 1nf6 h SER 94 Ca 0.04 -0.29 -0.12 0.00 -0.84 0.00 0.00 61.79 60.57 1nf6 h SER 94 Cb 0.63 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1nf6 h SER 94 CO 0.03 0.88 -0.16 0.44 -1.14 0.00 0.00 176.83 176.88 1nf6 h ASP 95 N 0.66 1.01 -0.73 3.07 3.32 -1.04 -1.83 116.42 120.88 1nf6 h ASP 95 Ca 0.14 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1nf6 h ASP 95 Cb 0.47 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 1nf6 h ASP 95 CO 0.02 1.16 0.47 0.00 -1.72 0.00 0.00 179.24 179.16 1nf6 h ALA 96 N 0.89 0.93 -0.21 3.45 0.00 -1.11 -1.03 119.26 122.19 1nf6 h ALA 96 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nf6 h ALA 96 Cb 0.74 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1nf6 h ALA 96 CO 0.06 0.37 0.13 -0.44 0.00 0.00 0.00 179.25 179.37 1nf6 h ASP 97 N 1.00 0.25 -0.65 0.00 3.32 -1.39 -2.06 116.42 116.89 1nf6 h ASP 97 Ca 0.27 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 1nf6 h ASP 97 Cb -0.08 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 1nf6 h ASP 97 CO -0.05 0.21 0.27 -0.61 -1.72 0.00 0.00 179.24 177.33 1nf6 h GLN 98 N 0.26 0.96 -0.56 3.56 4.15 -0.83 0.24 115.11 122.89 1nf6 h GLN 98 Ca 0.08 -0.17 -0.06 0.00 0.77 0.00 0.00 58.65 59.27 1nf6 h GLN 98 Cb 0.00 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 1nf6 h GLN 98 CO -0.01 0.80 0.13 0.93 -1.93 0.00 0.00 178.83 178.74 1nf6 h GLU 99 N 0.91 0.90 -0.09 1.69 4.39 -1.16 -0.46 114.58 120.75 1nf6 h GLU 99 Ca 0.22 -0.22 0.01 0.00 0.34 0.00 0.00 59.36 59.71 1nf6 h GLU 99 Cb 0.18 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1nf6 h GLU 99 CO -0.02 0.85 0.02 0.22 -1.16 0.00 0.00 179.01 178.92 1nf6 h ASP 100 N 0.80 0.01 -0.16 1.42 1.82 -0.77 -0.90 116.42 118.63 1nf6 h ASP 100 Ca 0.17 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.82 1nf6 h ASP 100 Cb 0.36 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.37 1nf6 h ASP 100 CO 0.00 0.02 0.09 0.00 -1.61 0.00 0.00 179.24 177.75 1nf6 h ALA 101 N 1.06 1.82 -0.16 -0.78 0.00 -0.34 -2.02 119.26 118.83 1nf6 h ALA 101 Ca 0.04 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1nf6 h ALA 101 Cb 0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1nf6 h ALA 101 CO -0.05 0.16 -0.28 1.15 0.00 0.00 0.00 179.25 180.22 1nf6 h THR 102 N 0.26 1.35 -0.55 0.00 2.02 -0.50 -1.59 112.91 113.90 1nf6 h THR 102 Ca 0.07 -1.52 0.04 0.00 0.77 0.00 0.00 66.41 65.77 1nf6 h THR 102 Cb 0.02 1.93 -0.04 0.00 -1.74 0.00 0.00 68.15 68.32 1nf6 h THR 102 CO -0.01 0.46 0.31 0.40 0.37 0.00 0.00 175.52 177.05 1nf6 h ILE 103 N 0.11 1.01 0.05 3.11 2.04 -0.83 0.30 117.51 123.30 1nf6 h ILE 103 Ca 0.01 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.67 1nf6 h ILE 103 Cb 0.87 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1nf6 h ILE 103 CO 0.06 0.11 -0.09 -0.33 0.00 0.00 0.00 178.15 177.90 1nf6 h GLU 104 N 0.60 -0.17 -0.39 2.37 4.39 -1.33 0.68 114.58 120.73 1nf6 h GLU 104 Ca 0.23 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.91 1nf6 h GLU 104 Cb 0.09 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1nf6 h GLU 104 CO -0.13 -0.12 0.12 0.00 -1.16 0.00 0.00 179.01 177.72 1nf6 h ALA 105 N 0.76 0.52 -0.14 3.43 0.00 -0.88 -2.17 119.26 120.77 1nf6 h ALA 105 Ca 0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1nf6 h ALA 105 Cb 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1nf6 h ALA 105 CO -0.06 0.16 0.02 1.88 0.00 0.00 0.00 179.25 181.25 1nf6 h TYR 106 N 0.49 0.19 -0.28 0.00 -1.99 -0.25 -0.90 116.97 114.22 1nf6 h TYR 106 Ca 0.13 -0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.75 1nf6 h TYR 106 Cb 0.26 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 38.92 1nf6 h TYR 106 CO 0.01 0.19 -0.24 0.77 -0.00 0.00 0.00 178.16 178.89 1nf6 h SER 107 N 0.19 0.55 -0.41 3.88 0.02 -0.23 0.19 113.55 117.75 1nf6 h SER 107 Ca 0.05 -0.19 -0.10 0.00 -0.84 0.00 0.00 61.79 60.71 1nf6 h SER 107 Cb 0.11 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1nf6 h SER 107 CO -0.00 0.79 -0.13 1.56 -1.14 0.00 0.00 176.83 177.91 1nf6 h GLN 108 N 0.48 0.80 -0.55 3.45 4.20 -0.93 -2.48 115.11 120.09 1nf6 h GLN 108 Ca 0.07 -0.32 -0.06 0.00 0.06 0.00 0.00 58.65 58.40 1nf6 h GLN 108 Cb 0.68 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 1nf6 h GLN 108 CO 0.05 0.94 0.11 0.74 -0.67 0.00 0.00 178.83 180.00 1nf6 h PHE 109 N 0.62 0.96 -0.51 2.96 0.05 -0.86 -2.26 116.94 117.90 1nf6 h PHE 109 Ca 0.10 -0.13 0.07 0.00 3.82 0.00 0.00 57.97 61.83 1nf6 h PHE 109 Cb 0.66 -0.27 -0.06 0.00 2.00 0.00 0.00 35.95 38.29 1nf6 h PHE 109 CO 0.05 0.84 0.19 1.25 -0.18 0.00 0.00 178.31 180.46 1nf6 h LEU 110 N 0.80 0.21 -0.70 1.54 6.46 -0.93 -1.23 115.31 121.45 1nf6 h LEU 110 Ca 0.17 0.06 0.13 0.00 -0.12 0.00 0.00 57.88 58.11 1nf6 h LEU 110 Cb 0.39 0.03 -0.09 0.00 -0.73 0.00 0.00 40.66 40.26 1nf6 h LEU 110 CO 0.01 0.15 0.26 0.50 -0.62 0.00 0.00 178.44 178.73 1nf6 h LYS 111 N 0.38 0.40 -0.78 1.25 3.64 -0.94 -0.69 116.57 119.83 1nf6 h LYS 111 Ca 0.24 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1nf6 h LYS 111 Cb 0.25 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1nf6 h LYS 111 CO -0.24 0.26 0.33 0.28 -2.27 0.00 0.00 179.45 177.82 1nf6 h VAL 112 N 0.41 1.26 -0.70 2.00 2.07 -0.79 -0.84 116.25 119.66 1nf6 h VAL 112 Ca 0.38 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1nf6 h VAL 112 Cb 0.55 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1nf6 h VAL 112 CO -0.38 0.32 0.38 0.00 0.02 0.00 0.00 177.57 177.90 1nf6 h LYS 114 N 0.97 1.16 -0.04 0.00 1.57 -0.97 0.41 116.57 119.66 1nf6 h LYS 114 Ca 0.25 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 1nf6 h LYS 114 Cb 0.06 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1nf6 h LYS 114 CO -0.04 0.97 -0.38 0.93 -0.57 0.00 0.00 179.45 180.36 1nf6 h GLU 115 N 1.12 0.09 -0.28 3.15 5.08 -0.45 -2.24 114.58 121.04 1nf6 h GLU 115 Ca 0.25 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1nf6 h GLU 115 Cb 0.26 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1nf6 h GLU 115 CO -0.01 0.46 0.00 1.04 -1.00 0.00 0.00 179.01 179.49 1nf6 n GLN 116 N -4.07 1.96 -2.84 2.33 1.13 0.03 -4.93 117.38 110.99 1nf6 n GLN 116 Ca -0.02 -1.46 -0.15 0.00 -1.94 0.00 0.00 57.00 53.43 1nf6 n GLN 116 Cb 0.43 -1.40 0.03 0.00 0.11 0.00 0.00 30.24 29.41 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 1.22 -0.10 3.09 1.08 0.00 -0.65 -4.88 105.19 104.96 1nf6 n GLY 117 Ca 0.16 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.88 5.44 0.17 1.61 -1.08 0.13 -4.92 116.67 115.15 1nf6 s ASP 118 Ca 0.23 -3.15 -0.06 0.00 -0.52 0.00 0.00 52.55 49.05 1nf6 s ASP 118 Cb -0.10 -1.86 0.05 0.00 -1.46 0.00 0.00 42.92 39.55 1nf6 s ASP 118 CO 0.29 -0.30 1.48 0.40 0.52 0.00 0.00 175.17 177.55 1nf6 h ILE 119 N 4.88 1.31 -0.24 4.11 1.08 -1.94 -2.04 117.51 124.67 1nf6 h ILE 119 Ca 0.04 -1.77 -0.00 0.00 -0.39 0.00 0.00 64.86 62.75 1nf6 h ILE 119 Cb 0.90 1.71 -0.01 0.00 -3.07 0.00 0.00 36.82 36.36 1nf6 h ILE 119 CO 0.75 0.56 0.14 0.58 -0.69 0.00 0.00 178.15 179.49 1nf6 h VAL 120 N 0.51 1.09 -0.16 1.67 2.07 -1.96 0.14 116.25 119.60 1nf6 h VAL 120 Ca 0.01 -0.22 -0.14 0.00 0.82 0.00 0.00 66.70 67.17 1nf6 h VAL 120 Cb 1.10 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1nf6 h VAL 120 CO 0.11 0.09 -0.49 0.74 0.02 0.00 0.00 177.57 178.04 1nf6 h THR 121 N 0.29 1.33 -0.60 2.57 2.02 -1.95 -2.62 112.91 113.94 1nf6 h THR 121 Ca 0.08 -1.72 -0.05 0.00 0.77 0.00 0.00 66.41 65.49 1nf6 h THR 121 Cb 0.02 1.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1nf6 h THR 121 CO -0.02 0.53 0.16 0.00 0.37 0.00 0.00 175.52 176.56 1nf6 h ALA 122 N 1.13 0.79 -0.93 6.16 0.00 -1.03 -1.98 119.26 123.40 1nf6 h ALA 122 Ca 0.02 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1nf6 h ALA 122 Cb 0.99 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1nf6 h ALA 122 CO 0.09 0.49 0.61 0.00 0.00 0.00 0.00 179.25 180.44 1nf6 h ARG 123 N 0.87 1.18 -0.13 0.00 2.47 -0.80 -0.12 114.38 117.85 1nf6 h ARG 123 Ca 0.19 -0.07 0.03 0.00 -1.26 0.00 0.00 59.98 58.87 1nf6 h ARG 123 Cb 0.33 -0.27 -0.03 0.00 -1.65 0.00 0.00 29.97 28.35 1nf6 h ARG 123 CO -0.00 0.78 -0.07 1.25 0.56 0.00 0.00 179.97 182.49 1nf6 h LEU 124 N 1.22 -0.24 -1.21 3.04 5.85 -1.06 0.37 115.31 123.27 1nf6 h LEU 124 Ca 0.35 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 59.10 1nf6 h LEU 124 Cb -0.07 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1nf6 h LEU 124 CO -0.09 -0.10 0.17 -0.26 -0.34 0.00 0.00 178.44 177.81 1nf6 h PHE 125 N -0.07 0.73 -0.10 1.25 -1.00 -0.89 -0.80 116.94 116.05 1nf6 h PHE 125 Ca 0.07 -0.04 -0.00 0.00 2.81 0.00 0.00 57.97 60.81 1nf6 h PHE 125 Cb 0.18 -0.22 -0.00 0.00 3.61 0.00 0.00 35.95 39.51 1nf6 h PHE 125 CO -0.20 0.59 0.06 0.93 -1.61 0.00 0.00 178.31 178.08 1nf6 h GLU 126 N 0.71 0.14 -0.41 1.51 5.08 -0.06 0.14 114.58 121.69 1nf6 h GLU 126 Ca 0.17 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1nf6 h GLU 126 Cb 0.19 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1nf6 h GLU 126 CO -0.01 0.14 0.18 0.00 -1.00 0.00 0.00 179.01 178.32 1nf6 h ARG 127 N 0.10 0.60 0.00 2.33 3.08 -0.64 -2.74 114.38 117.11 1nf6 h ARG 127 Ca 0.04 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 1nf6 h ARG 127 Cb 0.04 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1nf6 h ARG 127 CO -0.01 0.54 -0.25 0.82 -1.07 0.00 0.00 179.97 180.00 1nf6 h ILE 128 N 0.52 0.56 -0.46 2.04 2.04 -1.04 -2.74 117.51 118.43 1nf6 h ILE 128 Ca 0.14 -1.28 -0.11 0.00 1.00 0.00 0.00 64.86 64.60 1nf6 h ILE 128 Cb 0.15 1.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 1nf6 h ILE 128 CO -0.02 0.25 -0.17 0.40 0.00 0.00 0.00 178.15 178.61 1nf6 h ILE 129 N 0.00 1.27 -0.31 -0.67 2.04 -0.72 0.07 117.51 119.19 1nf6 h ILE 129 Ca -0.00 -1.30 -0.10 0.00 1.00 0.00 0.00 64.86 64.46 1nf6 h ILE 129 Cb 0.86 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1nf6 h ILE 129 CO 0.03 0.45 -0.23 -0.33 0.00 0.00 0.00 178.15 178.07 1nf6 h GLU 130 N 0.78 0.60 -0.35 2.37 5.08 -1.20 -0.56 114.58 121.30 1nf6 h GLU 130 Ca 0.11 -0.23 -0.17 0.00 -1.00 0.00 0.00 59.36 58.07 1nf6 h GLU 130 Cb 0.71 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1nf6 h GLU 130 CO 0.05 0.79 -0.45 0.93 -1.00 0.00 0.00 179.01 179.33 1nf6 h GLU 131 N 0.53 0.91 -1.00 2.33 5.08 -1.35 -2.15 114.58 118.93 1nf6 h GLU 131 Ca 0.08 -0.52 0.12 0.00 -1.00 0.00 0.00 59.36 58.04 1nf6 h GLU 131 Cb 0.69 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.89 1nf6 h GLU 131 CO 0.05 1.17 0.63 0.93 -1.00 0.00 0.00 179.01 180.79 1nf6 h GLU 132 N 0.73 0.95 -0.60 2.33 4.39 -0.66 -1.05 114.58 120.67 1nf6 h GLU 132 Ca 0.04 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1nf6 h GLU 132 Cb 1.05 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 29.46 1nf6 h GLU 132 CO 0.11 0.63 0.32 0.37 -1.16 0.00 0.00 179.01 179.27 1nf6 h GLN 133 N 0.98 0.84 -0.78 2.33 5.75 -0.79 0.17 115.11 123.61 1nf6 h GLN 133 Ca 0.50 -0.11 0.04 0.00 -0.15 0.00 0.00 58.65 58.93 1nf6 h GLN 133 Cb 0.50 -0.16 -0.05 0.00 1.07 0.00 0.00 27.48 28.84 1nf6 h GLN 133 CO -0.26 0.65 0.49 0.00 -2.65 0.00 0.00 178.83 177.06 1nf6 h ALA 134 N 1.14 1.03 -0.49 3.38 0.00 -0.70 -0.96 119.26 122.66 1nf6 h ALA 134 Ca 0.21 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1nf6 h ALA 134 Cb 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1nf6 h ALA 134 CO -0.03 0.27 0.19 0.45 0.00 0.00 0.00 179.25 180.12 1nf6 h HIS 135 N 0.93 0.76 -0.73 0.00 3.86 -0.51 -2.04 115.15 117.42 1nf6 h HIS 135 Ca 0.32 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 1nf6 h HIS 135 Cb 0.06 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.27 1nf6 h HIS 135 CO -0.04 0.64 0.46 1.25 0.86 0.00 0.00 177.93 181.11 1nf6 h LEU 136 N 0.66 0.86 -0.33 2.43 5.85 -0.71 -1.82 115.31 122.25 1nf6 h LEU 136 Ca 0.16 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1nf6 h LEU 136 Cb 0.22 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1nf6 h LEU 136 CO -0.01 0.64 0.12 0.74 -0.34 0.00 0.00 178.44 179.59 1nf6 h THR 137 N 1.00 1.19 0.09 1.05 2.02 -1.05 -1.25 112.91 115.96 1nf6 h THR 137 Ca 0.27 -0.61 0.02 0.00 0.77 0.00 0.00 66.41 66.86 1nf6 h THR 137 Cb -0.08 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 1nf6 h THR 137 CO -0.05 0.21 -0.25 0.22 0.37 0.00 0.00 175.52 176.01 1nf6 h TYR 138 N 0.38 -0.68 -0.86 3.16 3.20 -1.10 -0.62 116.97 120.46 1nf6 h TYR 138 Ca 0.11 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.03 1nf6 h TYR 138 Cb 0.21 0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.72 1nf6 h TYR 138 CO 0.00 -0.35 0.55 1.88 -1.64 0.00 0.00 178.16 178.60 1nf6 h TYR 139 N -0.44 1.04 -0.65 -3.82 0.99 -1.26 -0.85 116.97 111.98 1nf6 h TYR 139 Ca 0.04 0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.74 1nf6 h TYR 139 Cb 0.48 -0.34 -0.03 0.00 1.00 0.00 0.00 36.73 37.84 1nf6 h TYR 139 CO -0.25 0.59 0.18 0.93 -0.00 0.00 0.00 178.16 179.61 1nf6 h GLU 140 N 1.07 1.00 -0.27 4.88 5.08 -0.95 -2.22 114.58 123.16 1nf6 h GLU 140 Ca 0.35 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 1nf6 h GLU 140 Cb 0.02 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1nf6 h GLU 140 CO -0.12 0.87 -0.06 -0.91 -1.00 0.00 0.00 179.01 177.80 1nf6 h ASN 141 N 0.96 0.52 0.21 1.42 2.35 0.26 -1.22 115.58 120.08 1nf6 h ASN 141 Ca 0.21 -0.36 -0.01 0.00 -0.55 0.00 0.00 56.30 55.59 1nf6 h ASN 141 Cb 0.31 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1nf6 h ASN 141 CO -0.00 0.76 -0.10 0.40 -1.65 0.00 0.00 177.43 176.83 1nf6 h ILE 142 N 0.28 0.87 -0.29 2.81 1.08 -1.31 -1.46 117.51 119.50 1nf6 h ILE 142 Ca 0.07 -0.55 0.08 0.00 -0.39 0.00 0.00 64.86 64.07 1nf6 h ILE 142 Cb 0.52 1.19 -0.01 0.00 -3.07 0.00 0.00 36.82 35.46 1nf6 h ILE 142 CO 0.03 0.12 0.31 1.23 -0.69 0.00 0.00 178.15 179.15 1nf6 h GLY 143 N -0.57 0.00 1.60 5.37 0.00 -1.41 0.19 103.07 108.25 1nf6 h GLY 143 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.08 1nf6 h GLY 143 CO 0.05 0.00 -0.97 0.23 0.00 0.00 0.00 176.54 175.85 1nf6 h SER 144 N 0.00 0.47 0.18 0.19 0.87 -0.61 -2.43 113.55 112.21 1nf6 h SER 144 Ca 0.14 -0.39 -0.20 0.00 -1.23 0.00 0.00 61.79 60.11 1nf6 h SER 144 Cb 0.76 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.58 1nf6 h SER 144 CO -0.00 1.20 -0.76 0.45 -0.53 0.00 0.00 176.83 177.19 1nf6 h HIS 145 N 0.19 0.67 -0.48 2.24 -0.00 0.32 -0.95 115.15 117.14 1nf6 h HIS 145 Ca -0.08 -0.30 -0.08 0.00 -0.00 0.00 0.00 60.37 59.91 1nf6 h HIS 145 Cb 1.61 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 28.90 1nf6 h HIS 145 CO 0.05 1.08 -0.03 0.82 -0.00 0.00 0.00 177.93 179.85 1nf6 h ILE 146 N 0.33 1.25 -0.20 2.45 2.04 -1.14 0.32 117.51 122.55 1nf6 h ILE 146 Ca -0.04 -1.07 -0.16 0.00 1.00 0.00 0.00 64.86 64.60 1nf6 h ILE 146 Cb 1.35 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1nf6 h ILE 146 CO 0.14 0.37 -0.49 0.11 0.00 0.00 0.00 178.15 178.28 1nf6 h LYS 147 N 0.76 0.69 0.03 2.37 1.57 -1.35 0.41 116.57 121.05 1nf6 h LYS 147 Ca 0.14 -0.47 -0.27 0.00 -1.87 0.00 0.00 60.65 58.18 1nf6 h LYS 147 Cb 0.50 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 1nf6 h LYS 147 CO 0.03 1.09 -1.41 -0.91 -0.57 0.00 0.00 179.45 177.68 1nf6 h ASN 148 N 0.40 0.11 0.00 0.86 2.35 -1.11 -3.40 115.58 114.79 1nf6 h ASN 148 Ca -0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1nf6 h ASN 148 Cb 1.11 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.44 1nf6 h ASN 148 CO 0.11 1.14 -0.87 0.18 -1.65 0.00 0.00 177.43 176.33 1nf6 n LEU 149 N -3.27 0.04 0.00 1.61 4.77 0.11 -5.08 117.00 115.18 1nf6 n LEU 149 Ca -0.11 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 1nf6 n LEU 149 Cb 1.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.10 1nf6 n LEU 149 CO 0.47 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1nf6 n GLY 150 N 1.97 3.01 0.21 -0.72 0.00 0.13 -1.84 105.19 107.95 1nf6 n GLY 150 Ca -0.00 -0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.13 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 0.09 0.00 -0.59 1.61 3.32 -1.93 -1.48 116.42 117.45 1nf6 h ASP 151 Ca 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 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 0.05 0.74 -1.72 0.00 0.00 179.24 178.31 1nf6 h THR 152 N 0.00 1.26 -0.18 0.35 2.02 -1.77 0.10 112.91 114.69 1nf6 h THR 152 Ca 0.00 -1.06 -0.04 0.00 0.77 0.00 0.00 66.41 66.08 1nf6 h THR 152 Cb 0.35 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1nf6 h THR 152 CO 0.00 0.39 -0.03 0.22 0.37 0.00 0.00 175.52 176.47 1nf6 h TYR 153 N 0.90 0.38 -0.06 3.16 3.20 -1.30 -3.26 116.97 119.99 1nf6 h TYR 153 Ca 0.17 -0.08 -0.12 0.00 3.14 0.00 0.00 58.73 61.85 1nf6 h TYR 153 Cb 0.48 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1nf6 h TYR 153 CO 0.04 0.59 -0.50 -0.07 -1.64 0.00 0.00 178.16 176.57 1nf6 h LEU 154 N 0.07 0.16 -1.55 2.82 3.38 -1.36 -1.95 115.31 116.87 1nf6 h LEU 154 Ca 0.05 -0.08 0.18 0.00 0.09 0.00 0.00 57.88 58.12 1nf6 h LEU 154 Cb 0.45 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 1nf6 h LEU 154 CO 0.02 0.64 0.56 0.00 0.09 0.00 0.00 178.44 179.74 1nf6 h ALA 155 N 1.37 2.19 0.00 1.53 0.00 -0.84 0.28 119.26 123.79 1nf6 h ALA 155 Ca 0.00 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1nf6 h ALA 155 Cb 0.92 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1nf6 h ALA 155 CO 0.07 -0.44 -0.73 1.57 0.00 0.00 0.00 179.25 179.72 1nf6 h LYS 156 N 0.40 0.00 0.00 0.00 -0.00 -1.41 -3.27 116.57 112.28 1nf6 h LYS 156 Ca 0.43 0.00 -0.17 0.00 -0.00 0.00 0.00 60.65 60.91 1nf6 h LYS 156 Cb 1.06 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 33.26 1nf6 h LYS 156 CO -0.15 0.73 -1.49 -0.89 -0.00 0.00 0.00 179.45 177.65 1nf6 n ILE 157 N -3.62 1.13 -1.65 0.07 2.08 0.19 -4.78 119.36 112.78 1nf6 n ILE 157 Ca -0.01 -0.69 -0.54 0.00 0.56 0.00 0.00 62.75 62.08 1nf6 n ILE 157 Cb 0.72 -0.68 -0.06 0.00 -0.75 0.00 0.00 39.64 38.87 1nf6 n ILE 157 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1nf6 n ALA 158 N -2.41 -0.41 -0.98 -1.39 0.00 0.74 -1.74 120.51 114.33 1nf6 n ALA 158 Ca -0.11 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1nf6 n ALA 158 Cb 0.84 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1nf6 n ALA 158 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nf6 n GLY 159 N 3.38 0.91 3.76 0.00 0.00 -0.28 -4.97 105.19 107.99 1nf6 n GLY 159 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.69 3.17 0.47 2.61 -4.23 -0.71 -4.92 115.64 108.34 1nf6 s THR 160 Ca 0.00 0.45 -0.25 0.00 -1.18 0.00 0.00 61.69 60.71 1nf6 s THR 160 Cb 0.00 -2.92 -0.08 0.00 1.34 0.00 0.00 72.50 70.84 1nf6 s THR 160 CO 0.00 -0.43 1.40 -2.84 -0.54 0.00 0.00 174.62 172.21 1nf6 s PRO 161 N -4.54 3.60 0.00 3.99 0.02 -1.26 -3.52 135.00 133.28 1nf6 s PRO 161 Ca 0.64 2.35 0.09 0.00 0.02 0.00 0.00 61.00 64.10 1nf6 s PRO 161 Cb -0.19 -2.58 0.01 0.00 0.02 0.00 0.00 34.50 31.76 1nf6 s PRO 161 CO 0.50 -0.86 0.63 -1.13 -0.33 0.00 0.00 177.00 175.81 1nf6 n SER 162 N -0.35 1.25 -4.77 2.53 3.41 -1.26 -3.11 113.62 111.33 1nf6 n SER 162 Ca 0.06 -1.13 -0.41 0.00 -0.26 0.00 0.00 58.87 57.13 1nf6 n SER 162 Cb 0.43 0.39 -0.01 0.00 -0.26 0.00 0.00 64.21 64.76 1nf6 n SER 162 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1nf6 s SER 163 N -1.20 6.37 -0.04 4.04 0.15 -1.26 -4.28 113.70 117.48 1nf6 s SER 163 Ca 0.08 3.00 0.21 0.00 0.70 0.00 0.00 55.95 59.94 1nf6 s SER 163 Cb 0.07 -2.66 0.66 0.00 -1.71 0.00 0.00 66.02 62.39 1nf6 s SER 163 CO 0.21 -0.88 1.56 0.35 1.20 0.00 0.00 173.24 175.69 1nf6 n THR 164 N 1.08 1.31 0.00 6.45 -2.24 -1.26 -4.97 114.28 114.65 1nf6 n THR 164 Ca 0.03 -1.08 0.00 0.00 -2.27 0.00 0.00 64.05 60.74 1nf6 n THR 164 Cb 0.39 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 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 1.42 0.00 3.77 3.38 0.00 -1.26 -5.01 105.19 107.50 1nf6 n GLY 165 Ca 0.25 -2.03 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 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 3.69 0.85 2.61 -1.32 -1.26 -4.99 115.64 115.21 1nf6 s THR 166 Ca 0.00 1.40 -0.15 0.00 -1.21 0.00 0.00 61.69 61.73 1nf6 s THR 166 Cb 0.00 -3.78 -0.02 0.00 -1.51 0.00 0.00 72.50 67.19 1nf6 s THR 166 CO 0.00 0.11 0.28 0.00 -2.21 0.00 0.00 174.62 172.80 1nf6 n ALA 167 N 0.30 -2.55 -1.68 11.08 0.00 -1.26 -4.85 120.51 121.56 1nf6 n ALA 167 Ca 0.03 -0.45 -0.54 0.00 0.00 0.00 0.00 53.44 52.48 1nf6 n ALA 167 Cb 0.48 -1.72 -0.06 0.00 0.00 0.00 0.00 19.45 18.15 1nf6 n ALA 167 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nf6 n SER 168 N -0.15 2.49 -4.62 0.00 3.41 -1.26 -4.92 113.62 108.57 1nf6 n SER 168 Ca 0.07 1.06 -0.43 0.00 -0.26 0.00 0.00 58.87 59.32 1nf6 n SER 168 Cb 0.52 -1.21 -0.03 0.00 -0.26 0.00 0.00 64.21 63.24 1nf6 n SER 168 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1nf6 s LYS 169 N 2.91 3.65 0.00 4.33 2.47 -1.26 -4.93 119.74 126.91 1nf6 s LYS 169 Ca 0.94 1.61 0.00 0.00 -1.56 0.00 0.00 55.97 56.96 1nf6 s LYS 169 Cb -0.95 -4.09 0.00 0.00 -1.46 0.00 0.00 37.83 31.32 1nf6 s LYS 169 CO 0.58 -1.47 0.00 0.41 0.16 0.00 0.00 175.35 175.02 1nf6 n GLY 170 N 4.92 6.25 0.09 5.54 0.00 -1.26 -5.10 105.19 115.64 1nf6 n GLY 170 Ca 0.20 -1.87 -0.18 0.00 0.00 0.00 0.00 46.02 44.17 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 0.00 0.00 0.00 1.61 3.57 -2.06 -3.57 116.94 116.49 1nf6 h PHE 171 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1nf6 h PHE 171 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1nf6 h PHE 171 CO 0.00 1.23 0.00 1.33 -2.23 0.00 0.00 178.31 178.64