#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nf6 s ASN 4 N 0.00 4.52 0.10 1.61 4.22 -1.26 -4.80 114.94 119.33 1nf6 s ASN 4 Ca 0.00 -0.05 -0.20 0.00 -2.14 0.00 0.00 52.86 50.47 1nf6 s ASN 4 Cb 0.00 -0.46 -0.06 0.00 1.28 0.00 0.00 41.25 42.01 1nf6 s ASN 4 CO 0.00 -1.74 1.35 0.03 -2.04 0.00 0.00 177.10 174.70 1nf6 h ARG 5 N -0.53 -0.10 -0.98 3.55 2.47 -2.01 0.22 114.38 117.00 1nf6 h ARG 5 Ca -0.40 0.01 0.12 0.00 -1.26 0.00 0.00 59.98 58.44 1nf6 h ARG 5 Cb 1.28 0.02 -0.08 0.00 -1.65 0.00 0.00 29.97 29.54 1nf6 h ARG 5 CO 0.47 -0.07 0.62 0.93 0.56 0.00 0.00 179.97 182.48 1nf6 h GLU 6 N -0.10 0.92 0.03 0.04 3.07 -2.00 -1.62 114.58 114.92 1nf6 h GLU 6 Ca 0.08 -0.06 -0.22 0.00 -0.50 0.00 0.00 59.36 58.67 1nf6 h GLU 6 Cb 0.31 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 1nf6 h GLU 6 CO -0.51 0.61 -1.02 -0.44 -1.40 0.00 0.00 179.01 176.25 1nf6 h ASP 7 N 0.95 0.11 -0.38 1.42 3.32 -1.70 -2.25 116.42 117.90 1nf6 h ASP 7 Ca 0.48 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.34 1nf6 h ASP 7 Cb 0.50 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1nf6 h ASP 7 CO -0.24 1.06 -0.04 0.03 -1.72 0.00 0.00 179.24 178.33 1nf6 h ARG 8 N 0.03 0.69 -0.36 3.56 3.08 0.29 -2.32 114.38 119.34 1nf6 h ARG 8 Ca -0.04 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.77 1nf6 h ARG 8 Cb 1.75 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.73 1nf6 h ARG 8 CO 0.14 0.82 0.21 0.87 -1.07 0.00 0.00 179.97 180.94 1nf6 h LYS 9 N 0.50 0.50 -0.48 0.04 1.57 -1.35 -2.85 116.57 114.50 1nf6 h LYS 9 Ca 0.10 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1nf6 h LYS 9 Cb 0.53 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 1nf6 h LYS 9 CO 0.03 0.39 0.23 0.00 -0.57 0.00 0.00 179.45 179.53 1nf6 h ALA 10 N 1.08 0.61 0.00 3.86 0.00 -1.29 0.13 119.26 123.65 1nf6 h ALA 10 Ca 0.13 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1nf6 h ALA 10 Cb 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1nf6 h ALA 10 CO -0.02 -0.14 -0.23 0.87 0.00 0.00 0.00 179.25 179.73 1nf6 h LYS 11 N 0.44 0.00 0.02 0.00 1.57 -1.36 -1.48 116.57 115.76 1nf6 h LYS 11 Ca 0.22 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.96 1nf6 h LYS 11 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1nf6 h LYS 11 CO -0.17 0.23 -0.17 0.28 -0.57 0.00 0.00 179.45 179.05 1nf6 h VAL 12 N 0.00 1.67 -0.97 0.50 2.07 -1.06 -3.10 116.25 115.36 1nf6 h VAL 12 Ca -0.00 -2.20 0.20 0.00 0.82 0.00 0.00 66.70 65.52 1nf6 h VAL 12 Cb 0.44 3.14 -0.11 0.00 -1.52 0.00 0.00 31.29 33.24 1nf6 h VAL 12 CO 0.03 0.58 0.55 0.40 0.02 0.00 0.00 177.57 179.16 1nf6 h ILE 13 N -0.77 0.65 -0.15 4.57 2.04 -0.62 0.21 117.51 123.45 1nf6 h ILE 13 Ca -0.03 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1nf6 h ILE 13 Cb 1.05 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1nf6 h ILE 13 CO 0.03 0.12 0.06 -0.08 0.00 0.00 0.00 178.15 178.29 1nf6 h GLU 14 N 0.66 0.23 -0.09 2.37 4.81 -1.35 0.38 114.58 121.58 1nf6 h GLU 14 Ca 0.57 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.63 1nf6 h GLU 14 Cb 0.95 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 1nf6 h GLU 14 CO -0.42 0.31 -0.51 -0.39 -0.73 0.00 0.00 179.01 177.27 1nf6 h VAL 15 N 0.09 1.35 -0.70 0.32 -1.51 -1.15 -1.03 116.25 113.62 1nf6 h VAL 15 Ca 0.05 -1.76 -0.05 0.00 -1.23 0.00 0.00 66.70 63.70 1nf6 h VAL 15 Cb 0.17 1.84 -0.03 0.00 -2.13 0.00 0.00 31.29 31.14 1nf6 h VAL 15 CO -0.00 0.52 0.22 -0.07 -1.23 0.00 0.00 177.57 177.01 1nf6 h LEU 16 N 0.20 1.00 -0.66 4.19 3.38 -0.34 -0.45 115.31 122.62 1nf6 h LEU 16 Ca 0.01 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.65 1nf6 h LEU 16 Cb 0.97 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1nf6 h LEU 16 CO 0.08 0.93 -0.66 0.78 0.09 0.00 0.00 178.44 179.66 1nf6 h ASN 17 N 1.03 0.07 -0.32 -0.43 2.35 0.06 0.32 115.58 118.66 1nf6 h ASN 17 Ca 0.23 -0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.86 1nf6 h ASN 17 Cb 0.29 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1nf6 h ASN 17 CO -0.01 0.71 -0.08 0.11 -1.65 0.00 0.00 177.43 176.52 1nf6 h LYS 18 N 0.04 0.62 0.06 0.81 1.57 -0.82 -1.82 116.57 117.04 1nf6 h LYS 18 Ca -0.01 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1nf6 h LYS 18 Cb 1.17 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1nf6 h LYS 18 CO 0.09 0.80 -0.03 0.00 -0.57 0.00 0.00 179.45 179.74 1nf6 h ALA 19 N 0.80 -0.09 -0.69 3.86 0.00 -0.96 -2.10 119.26 120.09 1nf6 h ALA 19 Ca 0.08 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.08 1nf6 h ALA 19 Cb 0.57 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.32 1nf6 h ALA 19 CO 0.03 -0.55 0.29 -0.09 0.00 0.00 0.00 179.25 178.93 1nf6 h ARG 20 N -0.09 0.46 -0.05 0.00 2.43 -0.92 -0.38 114.38 115.83 1nf6 h ARG 20 Ca -0.01 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 1nf6 h ARG 20 Cb 0.07 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1nf6 h ARG 20 CO 0.01 0.31 -0.23 0.00 -1.51 0.00 0.00 179.97 178.55 1nf6 h ALA 21 N 1.47 1.54 0.00 2.80 0.00 -1.14 0.35 119.26 124.28 1nf6 h ALA 21 Ca 0.36 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1nf6 h ALA 21 Cb 0.46 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1nf6 h ALA 21 CO -0.33 0.34 -0.37 0.52 0.00 0.00 0.00 179.25 179.41 1nf6 h MET 22 N 0.07 0.00 0.12 0.00 2.86 -0.39 0.51 114.93 118.10 1nf6 h MET 22 Ca 0.01 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.38 1nf6 h MET 22 Cb 0.45 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.13 1nf6 h MET 22 CO 0.03 0.37 -1.13 0.93 1.06 0.00 0.00 176.91 178.17 1nf6 h GLU 23 N 0.00 0.55 -0.96 1.72 4.39 -0.15 -2.24 114.58 117.89 1nf6 h GLU 23 Ca -0.00 -0.76 0.14 0.00 0.34 0.00 0.00 59.36 59.08 1nf6 h GLU 23 Cb 0.69 0.25 -0.08 0.00 -0.10 0.00 0.00 28.75 29.51 1nf6 h GLU 23 CO 0.05 1.34 0.61 -0.07 -1.16 0.00 0.00 179.01 179.77 1nf6 h LEU 24 N 0.13 0.79 -0.13 1.33 3.38 -1.27 0.25 115.31 119.79 1nf6 h LEU 24 Ca -0.18 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1nf6 h LEU 24 Cb 1.83 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.48 1nf6 h LEU 24 CO 0.22 0.39 0.01 -0.74 0.09 0.00 0.00 178.44 178.41 1nf6 h HIS 25 N 0.83 0.24 -0.58 1.13 2.76 -1.45 -2.77 115.15 115.31 1nf6 h HIS 25 Ca 0.49 -0.04 0.06 0.00 -2.20 0.00 0.00 60.37 58.69 1nf6 h HIS 25 Cb 0.66 -0.06 -0.05 0.00 1.55 0.00 0.00 27.41 29.50 1nf6 h HIS 25 CO -0.00 0.43 0.29 0.00 -1.30 0.00 0.00 177.93 177.35 1nf6 h ALA 26 N 0.78 0.76 -0.44 5.26 0.00 -0.61 0.37 119.26 125.39 1nf6 h ALA 26 Ca 0.04 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1nf6 h ALA 26 Cb 0.33 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1nf6 h ALA 26 CO 0.00 -0.07 0.28 0.82 0.00 0.00 0.00 179.25 180.28 1nf6 h ILE 27 N 0.54 1.08 -0.17 0.00 2.04 -0.51 0.30 117.51 120.79 1nf6 h ILE 27 Ca 0.27 -0.19 -0.21 0.00 1.00 0.00 0.00 64.86 65.73 1nf6 h ILE 27 Cb 0.21 0.47 0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1nf6 h ILE 27 CO -0.20 0.10 -0.71 0.45 0.00 0.00 0.00 178.15 177.79 1nf6 h HIS 28 N 0.56 1.00 -0.24 1.37 3.86 -1.16 -1.27 115.15 119.28 1nf6 h HIS 28 Ca 0.17 -0.42 -0.02 0.00 -1.16 0.00 0.00 60.37 58.94 1nf6 h HIS 28 Cb -0.04 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.26 1nf6 h HIS 28 CO -0.06 1.24 0.06 0.37 0.86 0.00 0.00 177.93 180.40 1nf6 h GLN 29 N 0.53 0.38 -0.18 2.45 5.75 0.04 -1.43 115.11 122.64 1nf6 h GLN 29 Ca -0.03 -0.09 -0.18 0.00 -0.15 0.00 0.00 58.65 58.20 1nf6 h GLN 29 Cb 1.33 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.83 1nf6 h GLN 29 CO 0.15 0.48 -0.61 1.88 -2.65 0.00 0.00 178.83 178.07 1nf6 h TYR 30 N 0.20 0.78 -0.37 3.99 0.99 -0.46 -2.57 116.97 119.54 1nf6 h TYR 30 Ca 0.07 -0.30 -0.12 0.00 2.00 0.00 0.00 58.73 60.38 1nf6 h TYR 30 Cb 0.27 -0.14 -0.01 0.00 1.00 0.00 0.00 36.73 37.85 1nf6 h TYR 30 CO 0.01 1.07 -0.26 0.52 -0.00 0.00 0.00 178.16 179.50 1nf6 h MET 31 N 0.45 0.77 -0.92 4.88 2.86 -1.18 -0.75 114.93 121.04 1nf6 h MET 31 Ca -0.01 -0.33 -0.00 0.00 -2.06 0.00 0.00 59.70 57.30 1nf6 h MET 31 Cb 1.18 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.77 1nf6 h MET 31 CO 0.12 0.94 0.56 -0.97 1.06 0.00 0.00 176.91 178.63 1nf6 h ASN 32 N 0.66 1.09 0.04 1.22 -0.73 -1.17 0.41 115.58 117.10 1nf6 h ASN 32 Ca 0.08 -0.06 -0.10 0.00 1.87 0.00 0.00 56.30 58.10 1nf6 h ASN 32 Cb 0.78 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 39.08 1nf6 h ASN 32 CO 0.06 0.83 -0.30 1.56 -0.37 0.00 0.00 177.43 179.21 1nf6 h GLN 33 N 1.26 0.39 -0.56 6.67 4.20 -1.22 -2.82 115.11 123.03 1nf6 h GLN 33 Ca 0.33 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 1nf6 h GLN 33 Cb -0.07 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 1nf6 h GLN 33 CO -0.06 0.66 0.33 1.25 -0.67 0.00 0.00 178.83 180.33 1nf6 h HIS 34 N 0.35 0.75 -0.57 2.96 2.76 -0.04 0.12 115.15 121.48 1nf6 h HIS 34 Ca 0.05 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1nf6 h HIS 34 Cb 0.71 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 29.39 1nf6 h HIS 34 CO 0.02 0.53 0.35 1.88 -1.30 0.00 0.00 177.93 179.42 1nf6 h TYR 35 N 0.76 0.73 -0.11 5.26 0.99 -0.76 0.11 116.97 123.95 1nf6 h TYR 35 Ca 0.20 0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.87 1nf6 h TYR 35 Cb 0.01 -0.24 0.00 0.00 1.00 0.00 0.00 36.73 37.50 1nf6 h TYR 35 CO -0.02 0.48 -0.22 0.77 -0.00 0.00 0.00 178.16 179.18 1nf6 h SER 36 N 0.78 0.39 -0.74 3.88 0.02 -1.15 -1.61 113.55 115.11 1nf6 h SER 36 Ca 0.21 -0.55 -0.03 0.00 -0.84 0.00 0.00 61.79 60.57 1nf6 h SER 36 Cb -0.05 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 1nf6 h SER 36 CO -0.04 0.87 0.34 -0.07 -1.14 0.00 0.00 176.83 176.78 1nf6 h LEU 37 N -0.08 0.99 -0.63 5.07 3.38 -0.44 0.09 115.31 123.69 1nf6 h LEU 37 Ca 0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1nf6 h LEU 37 Cb 0.80 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1nf6 h LEU 37 CO 0.05 0.87 0.34 -0.78 0.09 0.00 0.00 178.44 179.00 1nf6 h ASP 38 N 1.05 0.80 -0.55 -0.43 3.58 -0.83 -1.15 116.42 118.89 1nf6 h ASP 38 Ca 0.25 -0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.57 1nf6 h ASP 38 Cb 0.15 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 1nf6 h ASP 38 CO -0.03 0.67 0.24 -0.78 -2.88 0.00 0.00 179.24 176.47 1nf6 h ASP 39 N 0.87 0.78 0.96 2.28 3.58 -0.71 -1.41 116.42 122.77 1nf6 h ASP 39 Ca 0.22 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1nf6 h ASP 39 Cb 0.06 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 40.90 1nf6 h ASP 39 CO -0.03 0.70 0.00 0.23 -2.88 0.00 0.00 179.24 177.25 1nf6 n MET 40 N -4.33 0.03 -3.08 0.28 2.81 -0.03 -4.92 117.12 107.88 1nf6 n MET 40 Ca 0.05 0.07 -0.13 0.00 -1.81 0.00 0.00 57.70 55.88 1nf6 n MET 40 Cb 0.16 -1.54 0.05 0.00 -0.71 0.00 0.00 33.22 31.19 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 -1.59 -3.55 -3.71 7.83 2.03 -0.49 -4.90 116.55 112.17 1nf6 n ASP 41 Ca 0.06 -0.37 -0.38 0.00 0.52 0.00 0.00 54.79 54.62 1nf6 n ASP 41 Cb 0.32 -3.46 -0.01 0.00 -0.72 0.00 0.00 41.12 37.25 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 -3.62 2.80 -0.32 -0.67 0.53 -0.87 -1.31 117.16 113.69 1nf6 n TYR 42 Ca -0.08 -3.00 -0.03 0.00 -1.02 0.00 0.00 57.90 53.77 1nf6 n TYR 42 Cb 0.57 -1.03 0.01 0.00 -1.03 0.00 0.00 39.34 37.85 1nf6 n TYR 42 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1nf6 n GLY 43 N 0.75 -1.79 0.17 2.72 0.00 -1.19 -1.11 105.19 104.73 1nf6 n GLY 43 Ca 0.32 0.93 -0.06 0.00 0.00 0.00 0.00 46.02 47.21 1nf6 n GLY 43 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1nf6 h GLU 44 N 0.00 0.34 -0.72 1.61 4.81 -1.73 0.24 114.58 119.14 1nf6 h GLU 44 Ca 0.25 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.39 1nf6 h GLU 44 Cb 0.45 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1nf6 h GLU 44 CO -0.80 0.22 0.18 -0.07 -0.73 0.00 0.00 179.01 177.81 1nf6 h LEU 45 N 0.35 1.09 -0.35 1.64 3.38 -1.47 -2.20 115.31 117.75 1nf6 h LEU 45 Ca 0.17 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 1nf6 h LEU 45 Cb 0.12 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1nf6 h LEU 45 CO -0.15 1.04 -0.19 0.00 0.09 0.00 0.00 178.44 179.22 1nf6 h ALA 46 N 1.09 0.49 -0.09 1.53 0.00 -0.76 -2.14 119.26 119.38 1nf6 h ALA 46 Ca 0.22 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1nf6 h ALA 46 Cb 0.37 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1nf6 h ALA 46 CO 0.00 0.44 0.05 0.00 0.00 0.00 0.00 179.25 179.74 1nf6 h ALA 47 N 0.78 0.12 -0.36 0.00 0.00 -0.46 -2.41 119.26 116.92 1nf6 h ALA 47 Ca 0.08 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1nf6 h ALA 47 Cb 0.74 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1nf6 h ALA 47 CO 0.06 -0.34 -0.10 -0.91 0.00 0.00 0.00 179.25 177.96 1nf6 h ASN 48 N 0.05 0.60 -0.55 0.00 2.35 -1.40 -0.15 115.58 116.48 1nf6 h ASN 48 Ca 0.03 -0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 55.57 1nf6 h ASN 48 Cb 0.09 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 1nf6 h ASN 48 CO -0.00 0.74 0.13 -0.03 -1.65 0.00 0.00 177.43 176.62 1nf6 h MET 49 N 0.57 0.89 -0.47 0.81 4.05 -1.33 0.52 114.93 119.98 1nf6 h MET 49 Ca 0.10 -0.21 -0.13 0.00 -0.28 0.00 0.00 59.70 59.18 1nf6 h MET 49 Cb 0.52 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 1nf6 h MET 49 CO 0.03 0.83 -0.23 -0.22 0.23 0.00 0.00 176.91 177.55 1nf6 h LYS 50 N 0.79 0.98 -0.87 0.39 3.64 -1.06 -1.17 116.57 119.26 1nf6 h LYS 50 Ca 0.17 -0.43 -0.01 0.00 -1.27 0.00 0.00 60.65 59.11 1nf6 h LYS 50 Cb 0.34 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 1nf6 h LYS 50 CO 0.00 1.10 0.50 -0.07 -2.27 0.00 0.00 179.45 178.71 1nf6 h LEU 51 N 0.83 1.07 -0.82 5.20 3.38 -0.81 0.00 115.31 124.16 1nf6 h LEU 51 Ca 0.10 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1nf6 h LEU 51 Cb 0.81 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1nf6 h LEU 51 CO 0.07 0.85 -0.29 0.40 0.09 0.00 0.00 178.44 179.56 1nf6 h ILE 52 N 1.21 1.28 -0.76 1.22 2.04 -0.63 -2.25 117.51 119.61 1nf6 h ILE 52 Ca 0.31 -1.37 -0.00 0.00 1.00 0.00 0.00 64.86 64.80 1nf6 h ILE 52 Cb -0.00 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1nf6 h ILE 52 CO -0.05 0.44 0.48 0.00 0.00 0.00 0.00 178.15 179.01 1nf6 h ALA 53 N 1.21 1.40 -0.29 1.87 0.00 -0.49 -1.90 119.26 121.06 1nf6 h ALA 53 Ca 0.06 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1nf6 h ALA 53 Cb 0.75 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1nf6 h ALA 53 CO 0.06 0.53 -0.18 0.82 0.00 0.00 0.00 179.25 180.48 1nf6 h ILE 54 N 1.05 1.25 -0.83 0.00 2.04 -0.51 0.71 117.51 121.21 1nf6 h ILE 54 Ca 0.28 -1.16 0.02 0.00 1.00 0.00 0.00 64.86 65.00 1nf6 h ILE 54 Cb -0.07 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 1nf6 h ILE 54 CO -0.05 0.37 0.54 0.44 0.00 0.00 0.00 178.15 179.45 1nf6 h ASP 55 N 0.47 0.92 -0.26 1.72 3.32 -0.81 -1.88 116.42 119.91 1nf6 h ASP 55 Ca 0.08 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.01 1nf6 h ASP 55 Cb 0.59 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1nf6 h ASP 55 CO 0.04 0.65 -0.20 -0.33 -1.72 0.00 0.00 179.24 177.68 1nf6 h GLU 56 N 1.08 0.72 -0.25 3.56 4.39 -0.53 -0.05 114.58 123.49 1nf6 h GLU 56 Ca 0.32 -0.27 0.02 0.00 0.34 0.00 0.00 59.36 59.77 1nf6 h GLU 56 Cb -0.06 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 1nf6 h GLU 56 CO -0.09 0.86 0.11 0.52 -1.16 0.00 0.00 179.01 179.25 1nf6 h MET 57 N 0.63 0.23 -0.82 2.33 2.86 -0.39 0.49 114.93 120.26 1nf6 h MET 57 Ca 0.09 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.68 1nf6 h MET 57 Cb 0.69 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.26 1nf6 h MET 57 CO 0.05 0.15 0.36 -0.09 1.06 0.00 0.00 176.91 178.44 1nf6 h ARG 58 N 0.23 1.20 -0.02 1.72 2.43 -1.13 -0.49 114.38 118.32 1nf6 h ARG 58 Ca 0.11 -0.20 0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1nf6 h ARG 58 Cb 0.05 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.36 1nf6 h ARG 58 CO -0.09 0.95 -0.17 0.45 -1.51 0.00 0.00 179.97 179.60 1nf6 h HIS 59 N 1.17 -0.43 -1.00 2.20 3.86 -0.47 0.14 115.15 120.63 1nf6 h HIS 59 Ca 0.28 0.02 0.13 0.00 -1.16 0.00 0.00 60.37 59.63 1nf6 h HIS 59 Cb 0.17 0.20 -0.09 0.00 1.06 0.00 0.00 27.41 28.75 1nf6 h HIS 59 CO 0.02 -0.24 0.63 0.00 0.86 0.00 0.00 177.93 179.20 1nf6 h ALA 60 N 0.68 1.55 -0.24 2.45 0.00 -0.58 0.04 119.26 123.16 1nf6 h ALA 60 Ca 0.06 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1nf6 h ALA 60 Cb 0.34 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1nf6 h ALA 60 CO -0.17 0.18 -0.27 1.49 0.00 0.00 0.00 179.25 180.48 1nf6 h GLU 61 N 0.96 0.60 -0.53 0.00 4.81 -0.43 -1.97 114.58 118.02 1nf6 h GLU 61 Ca 0.51 -0.33 -0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1nf6 h GLU 61 Cb 0.55 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 1nf6 h GLU 61 CO -0.28 0.93 -0.00 -0.91 -0.73 0.00 0.00 179.01 178.02 1nf6 h ASN 62 N 0.30 0.87 -0.43 1.04 2.35 -0.19 -1.51 115.58 118.02 1nf6 h ASN 62 Ca 0.03 -0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1nf6 h ASN 62 Cb 0.83 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 1nf6 h ASN 62 CO 0.06 0.93 0.25 -0.26 -1.65 0.00 0.00 177.43 176.77 1nf6 h PHE 63 N 0.83 0.58 -0.95 1.19 0.05 -0.92 -2.04 116.94 115.67 1nf6 h PHE 63 Ca 0.16 -0.01 0.01 0.00 3.82 0.00 0.00 57.97 61.95 1nf6 h PHE 63 Cb 0.50 -0.19 -0.05 0.00 2.00 0.00 0.00 35.95 38.21 1nf6 h PHE 63 CO 0.03 0.42 0.63 0.00 -0.18 0.00 0.00 178.31 179.21 1nf6 h ALA 64 N 1.11 1.21 -0.36 2.45 0.00 -1.07 -1.58 119.26 121.02 1nf6 h ALA 64 Ca 0.15 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1nf6 h ALA 64 Cb 0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1nf6 h ALA 64 CO -0.03 0.59 -0.11 0.93 0.00 0.00 0.00 179.25 180.63 1nf6 h GLU 65 N 1.28 0.71 -0.61 0.00 5.08 -0.98 -0.38 114.58 119.69 1nf6 h GLU 65 Ca 0.35 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1nf6 h GLU 65 Cb -0.13 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 1nf6 h GLU 65 CO -0.08 0.88 0.24 -0.09 -1.00 0.00 0.00 179.01 178.96 1nf6 h ARG 66 N 0.51 0.91 -0.67 2.33 9.65 -1.27 -0.07 114.38 125.77 1nf6 h ARG 66 Ca 0.09 -0.17 0.09 0.00 -1.10 0.00 0.00 59.98 58.89 1nf6 h ARG 66 Cb 0.63 -0.15 -0.07 0.00 -1.39 0.00 0.00 29.97 28.99 1nf6 h ARG 66 CO 0.04 0.77 0.32 0.82 2.80 0.00 0.00 179.97 184.72 1nf6 h ILE 67 N 0.85 0.84 -0.76 1.20 2.04 -1.01 -0.93 117.51 119.73 1nf6 h ILE 67 Ca 0.20 -0.19 -0.06 0.00 1.00 0.00 0.00 64.86 65.82 1nf6 h ILE 67 Cb 0.20 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 1nf6 h ILE 67 CO -0.02 0.10 0.26 0.11 0.00 0.00 0.00 178.15 178.60 1nf6 h LYS 68 N 0.55 1.18 -0.03 2.37 1.79 -0.45 0.46 116.57 122.44 1nf6 h LYS 68 Ca 0.33 -0.24 -0.02 0.00 -2.18 0.00 0.00 60.65 58.53 1nf6 h LYS 68 Cb 0.34 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1nf6 h LYS 68 CO -0.26 0.99 -0.08 0.93 -1.08 0.00 0.00 179.45 179.95 1nf6 h GLU 69 N 1.13 0.04 -0.22 3.15 5.08 0.15 -1.19 114.58 122.72 1nf6 h GLU 69 Ca 0.25 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1nf6 h GLU 69 Cb 0.29 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1nf6 h GLU 69 CO -0.01 0.12 0.00 1.28 -1.00 0.00 0.00 179.01 179.39 1nf6 n LEU 70 N -4.43 1.92 0.00 1.33 4.77 -0.47 -4.91 117.00 115.21 1nf6 n LEU 70 Ca -0.02 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.13 1nf6 n LEU 70 Cb 0.17 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1nf6 n LEU 70 CO 0.35 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 1nf6 n GLY 71 N 1.17 0.52 3.40 -0.72 0.00 -0.45 -4.91 105.19 104.21 1nf6 n GLY 71 Ca 0.16 -0.43 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.86 1.60 3.13 -0.02 0.00 0.08 -5.00 105.19 102.13 1nf6 n GLY 72 Ca 0.00 -2.16 -0.33 0.00 0.00 0.00 0.00 46.02 43.53 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 -4.42 2.99 0.26 1.61 2.56 -1.26 -4.20 118.70 116.24 1nf6 s GLU 73 Ca 0.54 -0.83 -0.31 0.00 0.00 0.00 0.00 54.97 54.37 1nf6 s GLU 73 Cb -0.04 -2.61 -0.12 0.00 2.00 0.00 0.00 34.13 33.37 1nf6 s GLU 73 CO 0.35 -0.22 1.64 -2.14 -0.56 0.00 0.00 175.26 174.33 1nf6 s PRO 74 N 1.30 4.12 0.68 4.30 0.02 -1.26 -4.96 135.00 139.20 1nf6 s PRO 74 Ca 0.05 2.59 -0.15 0.00 0.02 0.00 0.00 61.00 63.51 1nf6 s PRO 74 Cb -0.13 -3.04 0.01 0.00 0.02 0.00 0.00 34.50 31.36 1nf6 s PRO 74 CO -0.12 -0.68 1.16 -0.08 -0.33 0.00 0.00 177.00 176.94 1nf6 s THR 75 N 0.44 2.80 0.00 0.99 -1.32 -1.26 -4.96 115.64 112.33 1nf6 s THR 75 Ca 0.68 0.39 0.00 0.00 -1.21 0.00 0.00 61.69 61.55 1nf6 s THR 75 Cb -0.49 -2.93 0.00 0.00 -1.51 0.00 0.00 72.50 67.57 1nf6 s THR 75 CO 0.42 -0.21 0.75 0.35 -2.21 0.00 0.00 174.62 173.71 1nf6 n THR 76 N -2.48 0.54 -4.27 5.08 -2.24 -1.26 -4.95 114.28 104.69 1nf6 n THR 76 Ca 0.12 -0.72 -0.35 0.00 -2.27 0.00 0.00 64.05 60.83 1nf6 n THR 76 Cb 0.51 0.77 -0.09 0.00 -2.10 0.00 0.00 70.33 69.42 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 -0.54 3.14 0.32 -0.78 -0.21 -1.26 -5.10 119.66 115.24 1nf6 s GLN 77 Ca 0.00 -0.36 -0.19 0.00 0.02 0.00 0.00 55.36 54.83 1nf6 s GLN 77 Cb 0.00 -2.89 -0.09 0.00 1.00 0.00 0.00 33.01 31.03 1nf6 s GLN 77 CO 0.00 0.67 0.80 -1.59 -2.12 0.00 0.00 175.29 173.06 1nf6 s LYS 78 N -0.79 4.19 -0.32 2.91 -2.85 -1.26 -4.52 119.74 117.09 1nf6 s LYS 78 Ca 0.12 0.90 -0.16 0.00 -1.00 0.00 0.00 55.97 55.83 1nf6 s LYS 78 Cb -0.12 -2.54 -0.02 0.00 -2.06 0.00 0.00 37.83 33.10 1nf6 s LYS 78 CO 0.02 0.19 0.43 -2.00 0.10 0.00 0.00 175.35 174.10 1nf6 s GLU 79 N -2.65 3.74 0.00 1.78 2.56 0.15 -4.91 118.70 119.37 1nf6 s GLU 79 Ca 0.52 -0.15 0.00 0.00 0.00 0.00 0.00 54.97 55.35 1nf6 s GLU 79 Cb -0.13 -3.76 0.00 0.00 2.00 0.00 0.00 34.13 32.25 1nf6 s GLU 79 CO 0.18 -0.49 0.00 0.41 -0.56 0.00 0.00 175.26 174.80 1nf6 n GLY 80 N 4.78 0.64 3.90 -1.50 0.00 -1.26 -4.69 105.19 107.06 1nf6 n GLY 80 Ca -0.07 -1.95 -0.33 0.00 0.00 0.00 0.00 46.02 43.67 1nf6 n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nf6 s LYS 81 N -1.73 3.40 -0.25 1.61 2.20 -1.26 -5.00 119.74 118.72 1nf6 s LYS 81 Ca 0.00 -0.36 -0.20 0.00 -0.36 0.00 0.00 55.97 55.05 1nf6 s LYS 81 Cb 0.00 -3.06 -0.02 0.00 -1.51 0.00 0.00 37.83 33.24 1nf6 s LYS 81 CO 0.00 0.66 0.62 0.08 -0.36 0.00 0.00 175.35 176.35 1nf6 s VAL 82 N -1.35 5.00 -0.07 4.02 1.01 -1.26 -5.03 120.40 122.71 1nf6 s VAL 82 Ca 0.28 1.12 -0.23 0.00 0.00 0.00 0.00 61.98 63.15 1nf6 s VAL 82 Cb -0.13 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1nf6 s VAL 82 CO 0.20 0.04 0.71 -0.69 0.00 0.00 0.00 175.10 175.36 1nf6 s VAL 83 N 2.42 5.04 0.38 2.92 1.01 -1.26 -5.06 120.40 125.85 1nf6 s VAL 83 Ca 0.26 1.45 0.08 0.00 0.00 0.00 0.00 61.98 63.77 1nf6 s VAL 83 Cb -0.16 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 1nf6 s VAL 83 CO 0.09 0.24 0.16 0.42 0.00 0.00 0.00 175.10 176.00 1nf6 s THR 84 N 0.86 2.56 0.00 3.92 -4.23 -1.26 -4.73 115.64 112.76 1nf6 s THR 84 Ca 0.38 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 1nf6 s THR 84 Cb -0.18 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.70 1nf6 s THR 84 CO 0.18 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 1nf6 n GLY 85 N -1.19 0.25 3.77 3.99 0.00 -1.26 -4.97 105.19 105.78 1nf6 n GLY 85 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.04 4.10 0.82 1.61 -0.21 -1.26 -5.00 119.66 118.68 1nf6 s GLN 86 Ca 0.00 2.59 -0.12 0.00 0.02 0.00 0.00 55.36 57.85 1nf6 s GLN 86 Cb 0.00 -2.98 0.08 0.00 1.00 0.00 0.00 33.01 31.11 1nf6 s GLN 86 CO 0.00 -0.58 1.11 0.00 -2.12 0.00 0.00 175.29 173.70 1nf6 s ALA 87 N -0.81 2.17 0.15 6.09 0.00 -1.26 -4.75 121.76 123.36 1nf6 s ALA 87 Ca 0.56 -0.28 -0.17 0.00 0.00 0.00 0.00 51.96 52.07 1nf6 s ALA 87 Cb -0.47 -3.09 0.06 0.00 0.00 0.00 0.00 23.12 19.62 1nf6 s ALA 87 CO 0.59 -1.83 1.71 0.28 0.00 0.00 0.00 175.76 176.51 1nf6 h VAL 88 N -1.16 0.75 -0.15 0.00 2.07 -2.00 -0.61 116.25 115.15 1nf6 h VAL 88 Ca -0.48 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1nf6 h VAL 88 Cb 1.28 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1nf6 h VAL 88 CO 0.60 0.02 0.06 -0.65 0.02 0.00 0.00 177.57 177.62 1nf6 h PRO 89 N 0.09 0.21 0.00 1.57 0.11 -1.98 -2.31 132.00 129.69 1nf6 h PRO 89 Ca 0.16 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 66.06 1nf6 h PRO 89 Cb 0.22 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.26 1nf6 h PRO 89 CO -0.27 0.18 -0.89 0.28 -0.21 0.00 0.00 178.00 177.09 1nf6 h VAL 90 N 0.21 1.62 -0.15 3.15 2.07 -1.62 -2.83 116.25 118.69 1nf6 h VAL 90 Ca 0.06 -3.06 0.01 0.00 0.82 0.00 0.00 66.70 64.53 1nf6 h VAL 90 Cb 0.05 2.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 1nf6 h VAL 90 CO -0.01 0.87 0.05 0.40 0.02 0.00 0.00 177.57 178.90 1nf6 h ILE 91 N 0.00 0.97 0.00 4.57 2.04 -0.57 -0.92 117.51 123.59 1nf6 h ILE 91 Ca -0.01 -0.04 -0.16 0.00 1.00 0.00 0.00 64.86 65.65 1nf6 h ILE 91 Cb 1.59 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 1nf6 h ILE 91 CO 0.12 0.02 -0.76 1.88 0.00 0.00 0.00 178.15 179.41 1nf6 h TYR 92 N 0.13 0.00 -0.25 1.37 -1.99 -1.57 -0.93 116.97 113.72 1nf6 h TYR 92 Ca 0.07 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.62 1nf6 h TYR 92 Cb 0.04 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.77 1nf6 h TYR 92 CO -0.11 0.76 -0.53 1.49 -0.00 0.00 0.00 178.16 179.77 1nf6 h GLU 93 N 0.00 0.80 -0.25 4.88 4.81 -1.43 -2.09 114.58 121.30 1nf6 h GLU 93 Ca -0.01 -0.53 -0.17 0.00 -0.13 0.00 0.00 59.36 58.52 1nf6 h GLU 93 Cb 1.48 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.93 1nf6 h GLU 93 CO 0.10 1.15 -0.52 0.66 -0.73 0.00 0.00 179.01 179.67 1nf6 h SER 94 N 0.55 0.89 -0.51 1.04 4.64 -1.12 -2.53 113.55 116.52 1nf6 h SER 94 Ca 0.00 -0.55 -0.04 0.00 -0.47 0.00 0.00 61.79 60.74 1nf6 h SER 94 Cb 1.14 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.95 1nf6 h SER 94 CO 0.12 1.28 0.19 0.44 -0.87 0.00 0.00 176.83 177.98 1nf6 h ASP 95 N 0.55 0.75 -0.59 4.97 5.19 -1.19 0.45 116.42 126.55 1nf6 h ASP 95 Ca 0.01 -0.11 -0.10 0.00 -0.62 0.00 0.00 57.03 56.21 1nf6 h ASP 95 Cb 1.13 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.43 1nf6 h ASP 95 CO 0.12 0.70 -0.01 0.00 -3.12 0.00 0.00 179.24 176.93 1nf6 h ALA 96 N 1.40 0.80 -0.70 3.45 0.00 -1.36 -1.16 119.26 121.69 1nf6 h ALA 96 Ca 0.19 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1nf6 h ALA 96 Cb 0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1nf6 h ALA 96 CO -0.01 0.65 0.30 -0.44 0.00 0.00 0.00 179.25 179.74 1nf6 h ASP 97 N 0.95 0.93 -0.27 0.00 3.32 -0.92 -2.09 116.42 118.33 1nf6 h ASP 97 Ca 0.17 -0.12 -0.15 0.00 0.02 0.00 0.00 57.03 56.95 1nf6 h ASP 97 Cb 0.57 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1nf6 h ASP 97 CO 0.03 0.81 -0.36 -0.61 -1.72 0.00 0.00 179.24 177.39 1nf6 h GLN 98 N 1.00 0.81 -0.21 3.56 4.15 -0.52 0.17 115.11 124.06 1nf6 h GLN 98 Ca 0.24 -0.41 -0.18 0.00 0.77 0.00 0.00 58.65 59.07 1nf6 h GLN 98 Cb 0.16 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.86 1nf6 h GLN 98 CO -0.02 1.04 -0.58 0.93 -1.93 0.00 0.00 178.83 178.26 1nf6 h GLU 99 N 0.67 0.69 -0.12 1.69 4.39 -1.10 0.63 114.58 121.43 1nf6 h GLU 99 Ca 0.06 -0.46 -0.01 0.00 0.34 0.00 0.00 59.36 59.29 1nf6 h GLU 99 Cb 0.92 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.63 1nf6 h GLU 99 CO 0.08 1.08 0.02 0.22 -1.16 0.00 0.00 179.01 179.25 1nf6 h ASP 100 N 0.52 0.19 -0.94 1.42 1.82 -1.31 0.39 116.42 118.51 1nf6 h ASP 100 Ca 0.00 -0.27 0.07 0.00 -0.39 0.00 0.00 57.03 56.44 1nf6 h ASP 100 Cb 1.16 -0.05 -0.06 0.00 0.68 0.00 0.00 39.33 41.06 1nf6 h ASP 100 CO 0.12 0.41 0.61 0.00 -1.61 0.00 0.00 179.24 178.77 1nf6 h ALA 101 N 0.79 1.49 -0.30 -0.78 0.00 -0.58 0.88 119.26 120.76 1nf6 h ALA 101 Ca 0.04 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1nf6 h ALA 101 Cb 0.30 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1nf6 h ALA 101 CO 0.00 0.36 -0.23 1.15 0.00 0.00 0.00 179.25 180.54 1nf6 h THR 102 N 1.06 1.30 -0.86 0.00 2.02 -0.54 -1.12 112.91 114.78 1nf6 h THR 102 Ca 0.41 -1.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.21 1nf6 h THR 102 Cb 0.22 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 1nf6 h THR 102 CO -0.16 0.44 0.52 0.40 0.37 0.00 0.00 175.52 177.09 1nf6 h ILE 103 N 0.43 1.24 -0.26 3.11 2.04 0.23 0.96 117.51 125.26 1nf6 h ILE 103 Ca 0.06 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.41 1nf6 h ILE 103 Cb 0.79 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1nf6 h ILE 103 CO 0.06 0.25 0.12 -0.33 0.00 0.00 0.00 178.15 178.26 1nf6 h GLU 104 N 1.18 0.26 0.10 2.37 4.39 -0.57 -2.25 114.58 120.06 1nf6 h GLU 104 Ca 0.31 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.99 1nf6 h GLU 104 Cb -0.04 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1nf6 h GLU 104 CO -0.06 0.17 -0.05 0.00 -1.16 0.00 0.00 179.01 177.91 1nf6 h ALA 105 N 1.14 -0.13 0.00 3.43 0.00 -0.92 -3.07 119.26 119.71 1nf6 h ALA 105 Ca 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1nf6 h ALA 105 Cb 0.04 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1nf6 h ALA 105 CO -0.08 -0.46 -0.07 1.88 0.00 0.00 0.00 179.25 180.52 1nf6 h TYR 106 N -0.37 0.00 -0.76 0.00 -1.99 -0.73 0.13 116.97 113.24 1nf6 h TYR 106 Ca -0.01 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.69 1nf6 h TYR 106 Cb 0.31 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.00 1nf6 h TYR 106 CO 0.00 0.07 0.37 0.77 -0.00 0.00 0.00 178.16 179.38 1nf6 h SER 107 N 0.00 0.98 -0.23 3.88 0.02 -1.36 0.72 113.55 117.57 1nf6 h SER 107 Ca -0.00 -0.11 -0.19 0.00 -0.84 0.00 0.00 61.79 60.65 1nf6 h SER 107 Cb 0.13 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1nf6 h SER 107 CO 0.01 0.82 -0.58 1.56 -1.14 0.00 0.00 176.83 177.50 1nf6 h GLN 108 N 1.08 0.83 -0.78 3.45 7.50 -0.71 -2.81 115.11 123.66 1nf6 h GLN 108 Ca 0.26 -0.55 -0.01 0.00 0.50 0.00 0.00 58.65 58.85 1nf6 h GLN 108 Cb 0.10 0.07 -0.04 0.00 0.05 0.00 0.00 27.48 27.66 1nf6 h GLN 108 CO -0.03 1.18 0.44 0.74 -1.50 0.00 0.00 178.83 179.65 1nf6 h PHE 109 N 0.63 1.07 -0.87 2.96 0.05 -0.80 -1.90 116.94 118.07 1nf6 h PHE 109 Ca 0.00 -0.02 0.06 0.00 3.82 0.00 0.00 57.97 61.83 1nf6 h PHE 109 Cb 1.19 -0.34 -0.06 0.00 2.00 0.00 0.00 35.95 38.74 1nf6 h PHE 109 CO 0.07 0.74 0.57 1.25 -0.18 0.00 0.00 178.31 180.76 1nf6 h LEU 110 N 1.08 0.87 -1.35 1.54 6.46 -0.84 0.13 115.31 123.21 1nf6 h LEU 110 Ca 0.28 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.99 1nf6 h LEU 110 Cb 0.02 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 39.75 1nf6 h LEU 110 CO -0.05 0.56 -0.06 0.50 -0.62 0.00 0.00 178.44 178.78 1nf6 h LYS 111 N 0.99 0.37 -0.21 1.25 3.64 -1.09 -2.11 116.57 119.40 1nf6 h LYS 111 Ca 0.37 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.55 1nf6 h LYS 111 Cb 0.19 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1nf6 h LYS 111 CO -0.14 0.44 -0.37 0.28 -2.27 0.00 0.00 179.45 177.39 1nf6 h VAL 112 N 0.35 1.32 -0.59 2.00 2.07 -0.19 -0.60 116.25 120.61 1nf6 h VAL 112 Ca 0.08 -1.59 -0.04 0.00 0.82 0.00 0.00 66.70 65.97 1nf6 h VAL 112 Cb 0.33 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 1nf6 h VAL 112 CO 0.01 0.50 0.23 0.00 0.02 0.00 0.00 177.57 178.33 1nf6 h LYS 114 N 0.81 0.98 -0.27 0.00 1.57 -1.40 1.35 116.57 119.61 1nf6 h LYS 114 Ca 0.19 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1nf6 h LYS 114 Cb 0.21 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1nf6 h LYS 114 CO -0.01 0.65 -0.04 0.93 -0.57 0.00 0.00 179.45 180.41 1nf6 h GLU 115 N 1.00 0.42 -0.48 3.15 5.08 -0.14 -1.50 114.58 122.11 1nf6 h GLU 115 Ca 0.30 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1nf6 h GLU 115 Cb -0.05 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1nf6 h GLU 115 CO -0.09 0.48 0.00 1.04 -1.00 0.00 0.00 179.01 179.44 1nf6 n GLN 116 N -4.29 2.17 -3.70 2.33 1.13 0.89 -4.92 117.38 110.98 1nf6 n GLN 116 Ca 0.01 -1.49 -0.25 0.00 -1.94 0.00 0.00 57.00 53.33 1nf6 n GLN 116 Cb 0.24 -1.43 0.06 0.00 0.11 0.00 0.00 30.24 29.22 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 0.97 -0.50 3.02 1.08 0.00 -0.11 -4.94 105.19 104.71 1nf6 n GLY 117 Ca 0.14 0.22 -0.34 0.00 0.00 0.00 0.00 46.02 46.03 1nf6 n GLY 117 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nf6 n ASP 118 N -2.97 4.01 -0.29 1.61 -0.08 0.45 -4.90 116.55 114.38 1nf6 n ASP 118 Ca -0.02 -3.18 0.02 0.00 -1.51 0.00 0.00 54.79 50.10 1nf6 n ASP 118 Cb 0.56 -0.97 0.16 0.00 2.34 0.00 0.00 41.12 43.21 1nf6 n ASP 118 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1nf6 h ILE 119 N 4.04 0.95 -0.48 5.18 1.08 -1.92 -1.29 117.51 125.06 1nf6 h ILE 119 Ca 0.16 -0.29 -0.10 0.00 -0.39 0.00 0.00 64.86 64.25 1nf6 h ILE 119 Cb 0.78 0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.55 1nf6 h ILE 119 CO 0.84 0.15 -0.10 0.58 -0.69 0.00 0.00 178.15 178.93 1nf6 h VAL 120 N 0.83 1.26 0.01 1.67 2.07 -1.97 0.16 116.25 120.29 1nf6 h VAL 120 Ca 0.39 -1.21 -0.20 0.00 0.82 0.00 0.00 66.70 66.49 1nf6 h VAL 120 Cb 0.30 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1nf6 h VAL 120 CO -0.22 0.42 -0.91 0.74 0.02 0.00 0.00 177.57 177.62 1nf6 h THR 121 N 0.80 1.50 -0.79 2.57 2.02 -1.87 -2.64 112.91 114.50 1nf6 h THR 121 Ca 0.13 -2.68 -0.04 0.00 0.77 0.00 0.00 66.41 64.59 1nf6 h THR 121 Cb 0.62 2.52 -0.04 0.00 -1.74 0.00 0.00 68.15 69.51 1nf6 h THR 121 CO 0.04 0.78 0.34 0.00 0.37 0.00 0.00 175.52 177.05 1nf6 h ALA 122 N 0.93 1.11 -0.70 6.16 0.00 -1.02 -1.79 119.26 123.96 1nf6 h ALA 122 Ca -0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1nf6 h ALA 122 Cb 1.56 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1nf6 h ALA 122 CO 0.14 0.65 0.30 0.00 0.00 0.00 0.00 179.25 180.33 1nf6 h ARG 123 N 1.14 1.02 -0.22 0.00 2.47 -0.86 -2.05 114.38 115.88 1nf6 h ARG 123 Ca 0.27 -0.16 0.02 0.00 -1.26 0.00 0.00 59.98 58.84 1nf6 h ARG 123 Cb 0.17 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.29 1nf6 h ARG 123 CO -0.03 0.82 0.09 1.25 0.56 0.00 0.00 179.97 182.66 1nf6 h LEU 124 N 1.01 0.12 -0.82 3.04 5.85 -1.07 -2.20 115.31 121.24 1nf6 h LEU 124 Ca 0.24 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 1nf6 h LEU 124 Cb 0.17 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1nf6 h LEU 124 CO -0.02 0.10 0.18 -0.26 -0.34 0.00 0.00 178.44 178.10 1nf6 h PHE 125 N 0.21 1.11 -0.32 1.25 -1.00 -1.02 -2.02 116.94 115.15 1nf6 h PHE 125 Ca 0.09 -0.12 0.00 0.00 2.81 0.00 0.00 57.97 60.76 1nf6 h PHE 125 Cb 0.04 -0.32 -0.02 0.00 3.61 0.00 0.00 35.95 39.27 1nf6 h PHE 125 CO -0.11 0.90 0.20 0.93 -1.61 0.00 0.00 178.31 178.62 1nf6 h GLU 126 N 1.02 0.43 -0.43 1.51 5.08 -1.18 0.40 114.58 121.41 1nf6 h GLU 126 Ca 0.22 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1nf6 h GLU 126 Cb 0.33 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1nf6 h GLU 126 CO -0.00 0.31 0.27 0.00 -1.00 0.00 0.00 179.01 178.59 1nf6 h ARG 127 N 0.42 0.57 -0.08 2.33 3.08 -1.19 -2.23 114.38 117.28 1nf6 h ARG 127 Ca 0.12 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.99 1nf6 h ARG 127 Cb -0.02 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1nf6 h ARG 127 CO -0.02 0.41 -0.52 0.82 -1.07 0.00 0.00 179.97 179.58 1nf6 h ILE 128 N 0.57 1.36 -0.26 2.04 2.04 -1.01 -2.41 117.51 119.84 1nf6 h ILE 128 Ca 0.16 -1.78 -0.05 0.00 1.00 0.00 0.00 64.86 64.19 1nf6 h ILE 128 Cb -0.03 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1nf6 h ILE 128 CO -0.03 0.53 -0.04 0.40 0.00 0.00 0.00 178.15 179.01 1nf6 h ILE 129 N 0.17 1.18 -0.34 -0.67 2.04 0.12 -0.63 117.51 119.38 1nf6 h ILE 129 Ca 0.00 -0.74 -0.09 0.00 1.00 0.00 0.00 64.86 65.03 1nf6 h ILE 129 Cb 0.98 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 1nf6 h ILE 129 CO 0.08 0.24 -0.17 -0.33 0.00 0.00 0.00 178.15 177.97 1nf6 h GLU 130 N 0.38 0.63 -0.11 2.37 5.08 -0.94 -1.84 114.58 120.14 1nf6 h GLU 130 Ca 0.08 -0.22 -0.14 0.00 -1.00 0.00 0.00 59.36 58.08 1nf6 h GLU 130 Cb 0.32 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1nf6 h GLU 130 CO 0.01 0.77 -0.54 0.93 -1.00 0.00 0.00 179.01 179.18 1nf6 h GLU 131 N 0.57 0.33 -0.50 2.33 5.08 -0.87 -2.62 114.58 118.89 1nf6 h GLU 131 Ca 0.09 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 1nf6 h GLU 131 Cb 0.62 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1nf6 h GLU 131 CO 0.04 0.79 0.06 0.93 -1.00 0.00 0.00 179.01 179.83 1nf6 h GLU 132 N 0.26 0.81 -0.55 2.33 4.39 -0.92 -2.20 114.58 118.70 1nf6 h GLU 132 Ca 0.00 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.49 1nf6 h GLU 132 Cb 1.04 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.56 1nf6 h GLU 132 CO 0.09 0.77 0.27 0.37 -1.16 0.00 0.00 179.01 179.35 1nf6 h GLN 133 N 0.76 0.78 -0.58 2.33 5.75 -1.10 0.19 115.11 123.25 1nf6 h GLN 133 Ca 0.16 -0.11 0.02 0.00 -0.15 0.00 0.00 58.65 58.57 1nf6 h GLN 133 Cb 0.38 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.75 1nf6 h GLN 133 CO 0.01 0.63 0.35 0.00 -2.65 0.00 0.00 178.83 177.18 1nf6 h ALA 134 N 1.11 0.75 -0.33 3.38 0.00 -1.25 -0.10 119.26 122.81 1nf6 h ALA 134 Ca 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1nf6 h ALA 134 Cb 0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1nf6 h ALA 134 CO -0.03 0.09 0.16 0.45 0.00 0.00 0.00 179.25 179.92 1nf6 h HIS 135 N 0.70 0.48 -0.06 0.00 3.86 -0.89 -1.04 115.15 118.19 1nf6 h HIS 135 Ca 0.23 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.44 1nf6 h HIS 135 Cb 0.01 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 1nf6 h HIS 135 CO -0.06 0.41 -0.06 1.25 0.86 0.00 0.00 177.93 180.34 1nf6 h LEU 136 N 0.40 -0.17 -1.07 2.43 5.85 -0.35 -1.33 115.31 121.07 1nf6 h LEU 136 Ca 0.11 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1nf6 h LEU 136 Cb 0.12 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 1nf6 h LEU 136 CO -0.01 -0.08 0.63 0.74 -0.34 0.00 0.00 178.44 179.37 1nf6 h THR 137 N -0.07 1.17 0.01 1.05 2.02 -0.86 -0.16 112.91 116.06 1nf6 h THR 137 Ca 0.05 -0.42 0.01 0.00 0.77 0.00 0.00 66.41 66.82 1nf6 h THR 137 Cb 0.13 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.39 1nf6 h THR 137 CO -0.11 0.22 -0.05 0.22 0.37 0.00 0.00 175.52 176.17 1nf6 h TYR 138 N 1.21 -0.13 -0.59 3.16 3.20 -0.75 -2.58 116.97 120.50 1nf6 h TYR 138 Ca 0.38 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.18 1nf6 h TYR 138 Cb -0.01 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 1nf6 h TYR 138 CO -0.00 -0.08 0.08 1.88 -1.64 0.00 0.00 178.16 178.40 1nf6 h TYR 139 N -0.10 1.01 -0.75 -3.82 0.99 -0.42 -2.35 116.97 111.54 1nf6 h TYR 139 Ca 0.02 -0.13 -0.06 0.00 2.00 0.00 0.00 58.73 60.57 1nf6 h TYR 139 Cb 0.12 -0.28 -0.03 0.00 1.00 0.00 0.00 36.73 37.54 1nf6 h TYR 139 CO -0.12 0.86 0.25 0.93 -0.00 0.00 0.00 178.16 180.08 1nf6 h GLU 140 N 0.90 1.16 -0.26 4.88 5.08 -1.03 -1.61 114.58 123.69 1nf6 h GLU 140 Ca 0.18 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1nf6 h GLU 140 Cb 0.41 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1nf6 h GLU 140 CO 0.01 0.97 -0.08 -0.91 -1.00 0.00 0.00 179.01 178.00 1nf6 h ASN 141 N 1.11 0.51 0.13 1.42 2.35 -1.12 0.12 115.58 120.11 1nf6 h ASN 141 Ca 0.25 -0.38 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 1nf6 h ASN 141 Cb 0.28 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1nf6 h ASN 141 CO -0.01 0.77 -0.06 0.40 -1.65 0.00 0.00 177.43 176.88 1nf6 h ILE 142 N 0.24 0.98 -0.74 2.81 1.08 -1.39 -1.24 117.51 119.26 1nf6 h ILE 142 Ca 0.06 -0.46 0.11 0.00 -0.39 0.00 0.00 64.86 64.19 1nf6 h ILE 142 Cb 0.56 1.26 -0.08 0.00 -3.07 0.00 0.00 36.82 35.49 1nf6 h ILE 142 CO 0.03 0.11 0.35 1.23 -0.69 0.00 0.00 178.15 179.18 1nf6 h GLY 143 N -0.40 1.12 0.90 5.37 0.00 -1.30 0.47 103.07 109.23 1nf6 h GLY 143 Ca -0.02 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.13 1nf6 h GLY 143 CO 0.03 0.01 0.34 0.23 0.00 0.00 0.00 176.54 177.15 1nf6 h SER 144 N 0.57 0.56 -0.04 0.19 0.87 -0.48 -0.47 113.55 114.75 1nf6 h SER 144 Ca 0.38 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.80 1nf6 h SER 144 Cb 0.46 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 1nf6 h SER 144 CO -0.31 0.39 -0.42 0.45 -0.53 0.00 0.00 176.83 176.41 1nf6 h HIS 145 N 0.68 0.68 -0.53 2.24 -0.00 -0.48 -0.41 115.15 117.31 1nf6 h HIS 145 Ca 0.22 -0.20 -0.08 0.00 -0.00 0.00 0.00 60.37 60.31 1nf6 h HIS 145 Cb 0.00 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.25 1nf6 h HIS 145 CO -0.06 0.89 -0.00 0.82 -0.00 0.00 0.00 177.93 179.59 1nf6 h ILE 146 N 0.46 1.25 -0.29 2.45 2.04 -0.48 0.41 117.51 123.36 1nf6 h ILE 146 Ca 0.04 -1.07 -0.08 0.00 1.00 0.00 0.00 64.86 64.75 1nf6 h ILE 146 Cb 0.93 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1nf6 h ILE 146 CO 0.08 0.38 -0.12 0.50 0.00 0.00 0.00 178.15 178.99 1nf6 h LYS 147 N 0.84 0.59 0.08 2.37 3.64 -0.92 -2.59 116.57 120.57 1nf6 h LYS 147 Ca 0.16 -0.25 -0.28 0.00 -1.27 0.00 0.00 60.65 59.01 1nf6 h LYS 147 Cb 0.50 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1nf6 h LYS 147 CO 0.02 0.82 -1.41 -0.91 -2.27 0.00 0.00 179.45 175.70 1nf6 h ASN 148 N 0.33 0.27 -0.00 4.20 -0.26 -0.83 -3.39 115.58 115.89 1nf6 h ASN 148 Ca 0.07 -0.35 0.00 0.00 -0.56 0.00 0.00 56.30 55.45 1nf6 h ASN 148 Cb 0.63 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.80 1nf6 h ASN 148 CO 0.04 1.29 -0.16 0.18 -1.06 0.00 0.00 177.43 177.72 1nf6 n LEU 149 N -3.39 0.19 0.00 1.61 4.77 0.14 -5.07 117.00 115.25 1nf6 n LEU 149 Ca -0.12 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 1nf6 n LEU 149 Cb 1.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 1nf6 n LEU 149 CO 0.49 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1nf6 n GLY 150 N 1.06 1.99 0.37 -0.72 0.00 -0.98 -2.77 105.19 104.14 1nf6 n GLY 150 Ca 0.01 -0.39 0.16 0.00 0.00 0.00 0.00 46.02 45.80 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 5.68 0.24 -0.40 1.61 5.19 -1.94 0.37 116.42 127.17 1nf6 h ASP 151 Ca 0.00 0.01 0.08 0.00 -0.62 0.00 0.00 57.03 56.50 1nf6 h ASP 151 Cb 0.00 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.45 1nf6 h ASP 151 CO 0.00 0.13 0.27 0.74 -3.12 0.00 0.00 179.24 177.27 1nf6 h THR 152 N 0.26 0.90 0.06 0.35 2.02 -1.95 0.67 112.91 115.22 1nf6 h THR 152 Ca 0.29 -0.07 -0.16 0.00 0.77 0.00 0.00 66.41 67.25 1nf6 h THR 152 Cb 0.79 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1nf6 h THR 152 CO -0.06 0.04 -0.79 0.22 0.37 0.00 0.00 175.52 175.29 1nf6 h TYR 153 N 0.19 0.22 -0.68 3.16 3.20 -0.35 -3.34 116.97 119.37 1nf6 h TYR 153 Ca 0.18 -0.16 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1nf6 h TYR 153 Cb 0.47 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 1nf6 h TYR 153 CO -0.00 1.31 0.33 -0.07 -1.64 0.00 0.00 178.16 178.08 1nf6 h LEU 154 N -0.70 0.87 -2.23 2.82 3.38 -1.02 -1.93 115.31 116.50 1nf6 h LEU 154 Ca -0.18 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.75 1nf6 h LEU 154 Cb 1.39 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1nf6 h LEU 154 CO -0.00 0.74 0.19 0.00 0.09 0.00 0.00 178.44 179.45 1nf6 h ALA 155 N 1.40 1.81 0.00 1.53 0.00 0.20 0.73 119.26 124.93 1nf6 h ALA 155 Ca 0.24 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1nf6 h ALA 155 Cb 0.10 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1nf6 h ALA 155 CO -0.03 -0.27 -0.29 -0.22 0.00 0.00 0.00 179.25 178.44 1nf6 h LYS 156 N 0.00 0.00 0.09 0.00 3.64 -1.47 -3.29 116.57 115.54 1nf6 h LYS 156 Ca 0.08 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.16 1nf6 h LYS 156 Cb 0.45 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1nf6 h LYS 156 CO -0.00 0.10 -1.56 0.82 -2.27 0.00 0.00 179.45 176.53 1nf6 h ILE 157 N 0.00 1.10 -1.60 2.00 1.08 -0.93 -3.45 117.51 115.70 1nf6 h ILE 157 Ca -0.01 -2.78 -0.71 0.00 -0.39 0.00 0.00 64.86 60.97 1nf6 h ILE 157 Cb 1.09 2.69 0.03 0.00 -3.07 0.00 0.00 36.82 37.56 1nf6 h ILE 157 CO 0.01 0.78 0.68 0.00 -0.69 0.00 0.00 178.15 178.94 1nf6 n ALA 158 N -2.66 -0.60 -0.29 1.87 0.00 -0.51 -1.30 120.51 117.03 1nf6 n ALA 158 Ca -0.17 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1nf6 n ALA 158 Cb 1.04 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 3.37 1.72 3.76 0.00 0.00 -0.43 -4.99 105.19 108.63 1nf6 n GLY 159 Ca 0.23 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 -3.03 3.08 0.45 2.61 -4.23 -0.42 -4.92 115.64 109.19 1nf6 s THR 160 Ca 0.00 0.43 -0.25 0.00 -1.18 0.00 0.00 61.69 60.69 1nf6 s THR 160 Cb 0.00 -2.89 -0.08 0.00 1.34 0.00 0.00 72.50 70.87 1nf6 s THR 160 CO 0.00 -0.38 1.38 -2.84 -0.54 0.00 0.00 174.62 172.24 1nf6 s PRO 161 N -4.46 3.68 0.00 3.99 0.02 -1.26 -3.19 135.00 133.79 1nf6 s PRO 161 Ca 0.65 2.31 0.11 0.00 0.02 0.00 0.00 61.00 64.10 1nf6 s PRO 161 Cb -0.20 -2.62 0.06 0.00 0.02 0.00 0.00 34.50 31.77 1nf6 s PRO 161 CO 0.49 -0.78 0.80 -1.13 -0.33 0.00 0.00 177.00 176.05 1nf6 n SER 162 N -0.24 1.75 -4.76 2.53 3.41 -1.26 -3.01 113.62 112.04 1nf6 n SER 162 Ca 0.06 -1.38 -0.41 0.00 -0.26 0.00 0.00 58.87 56.88 1nf6 n SER 162 Cb 0.43 0.14 -0.01 0.00 -0.26 0.00 0.00 64.21 64.51 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 -1.10 6.35 0.00 4.04 0.15 -1.26 -4.25 113.70 117.63 1nf6 s SER 163 Ca 0.12 2.99 0.21 0.00 0.70 0.00 0.00 55.95 59.97 1nf6 s SER 163 Cb 0.09 -2.64 0.40 0.00 -1.71 0.00 0.00 66.02 62.16 1nf6 s SER 163 CO 0.18 -0.92 1.35 0.35 1.20 0.00 0.00 173.24 175.40 1nf6 n THR 164 N 1.85 0.52 0.00 6.45 -2.24 -1.26 -4.94 114.28 114.66 1nf6 n THR 164 Ca 0.07 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1nf6 n THR 164 Cb 0.38 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 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 1.37 0.53 3.84 3.38 0.00 -1.26 -5.05 105.19 107.99 1nf6 n GLY 165 Ca 0.18 -1.96 -0.32 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.43 4.40 0.36 2.61 -1.32 -1.26 -4.99 115.64 114.01 1nf6 s THR 166 Ca 0.00 1.12 -0.27 0.00 -1.21 0.00 0.00 61.69 61.32 1nf6 s THR 166 Cb 0.00 -3.66 -0.09 0.00 -1.51 0.00 0.00 72.50 67.23 1nf6 s THR 166 CO 0.00 -0.69 1.23 0.00 -2.21 0.00 0.00 174.62 172.94 1nf6 s ALA 167 N -2.64 3.32 -0.43 11.08 0.00 -1.26 -4.86 121.76 126.97 1nf6 s ALA 167 Ca 0.59 1.10 -0.29 0.00 0.00 0.00 0.00 51.96 53.36 1nf6 s ALA 167 Cb -0.11 -3.42 -0.14 0.00 0.00 0.00 0.00 23.12 19.45 1nf6 s ALA 167 CO 0.34 -0.56 1.59 -1.13 0.00 0.00 0.00 175.76 176.01 1nf6 n SER 168 N 0.50 0.46 -4.66 0.00 3.41 -1.26 -4.82 113.62 107.25 1nf6 n SER 168 Ca 0.02 0.41 -0.42 0.00 -0.26 0.00 0.00 58.87 58.62 1nf6 n SER 168 Cb 0.44 -0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 63.72 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 4.67 4.15 0.00 4.33 2.20 -1.26 -4.93 119.74 128.89 1nf6 s LYS 169 Ca 0.87 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 59.03 1nf6 s LYS 169 Cb -1.02 -4.14 0.00 0.00 -1.51 0.00 0.00 37.83 31.16 1nf6 s LYS 169 CO 0.44 -0.94 0.00 0.41 -0.36 0.00 0.00 175.35 174.90 1nf6 n GLY 170 N 4.48 6.36 0.11 5.54 0.00 -1.26 -5.08 105.19 115.34 1nf6 n GLY 170 Ca 0.20 -2.01 -0.18 0.00 0.00 0.00 0.00 46.02 44.02 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 0.35 0.47 0.00 1.61 3.57 -2.05 -3.56 116.94 117.33 1nf6 h PHE 171 Ca 0.00 -0.31 0.00 0.00 3.53 0.00 0.00 57.97 61.19 1nf6 h PHE 171 Cb 0.00 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.71 1nf6 h PHE 171 CO 0.00 1.19 0.00 1.33 -2.23 0.00 0.00 178.31 178.60