#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 4.00 0.09 1.61 4.22 -1.26 -4.74 114.94 118.86 1nf6 s ASN 4 Ca 0.00 0.42 -0.35 0.00 -2.14 0.00 0.00 52.86 50.79 1nf6 s ASN 4 Cb 0.00 -0.75 -0.16 0.00 1.28 0.00 0.00 41.25 41.62 1nf6 s ASN 4 CO 0.00 -2.17 1.57 0.03 -2.04 0.00 0.00 177.10 174.48 1nf6 h ARG 5 N -1.16 -0.88 -0.47 3.55 2.47 -2.02 0.24 114.38 116.11 1nf6 h ARG 5 Ca -0.44 0.06 0.10 0.00 -1.26 0.00 0.00 59.98 58.44 1nf6 h ARG 5 Cb 1.28 0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 29.78 1nf6 h ARG 5 CO 0.52 -0.59 0.33 0.93 0.56 0.00 0.00 179.97 181.71 1nf6 h GLU 6 N -0.92 0.19 -0.15 0.04 3.07 -2.00 -1.69 114.58 113.12 1nf6 h GLU 6 Ca -0.04 -0.01 -0.22 0.00 -0.50 0.00 0.00 59.36 58.59 1nf6 h GLU 6 Cb 0.83 -0.04 0.01 0.00 -0.84 0.00 0.00 28.75 28.70 1nf6 h GLU 6 CO -0.13 0.13 -0.76 0.22 -1.40 0.00 0.00 179.01 177.07 1nf6 h ASP 7 N 0.20 0.88 0.46 1.42 1.82 -1.69 -2.69 116.42 116.81 1nf6 h ASP 7 Ca 0.22 -0.57 -0.09 0.00 -0.39 0.00 0.00 57.03 56.20 1nf6 h ASP 7 Cb 0.62 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.36 1nf6 h ASP 7 CO -0.04 1.37 -0.44 0.03 -1.61 0.00 0.00 179.24 178.55 1nf6 h ARG 8 N 0.51 0.00 0.07 0.28 3.08 0.37 -2.43 114.38 116.27 1nf6 h ARG 8 Ca -0.05 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.80 1nf6 h ARG 8 Cb 1.39 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.46 1nf6 h ARG 8 CO 0.15 0.44 -0.82 0.87 -1.07 0.00 0.00 179.97 179.54 1nf6 h LYS 9 N 0.00 0.42 -0.67 0.04 1.57 -1.45 -3.13 116.57 113.36 1nf6 h LYS 9 Ca -0.00 -0.56 0.11 0.00 -1.87 0.00 0.00 60.65 58.33 1nf6 h LYS 9 Cb 0.79 0.18 -0.08 0.00 0.08 0.00 0.00 32.23 33.20 1nf6 h LYS 9 CO 0.06 1.21 0.27 0.00 -0.57 0.00 0.00 179.45 180.42 1nf6 h ALA 10 N 0.23 0.89 0.00 3.86 0.00 -1.44 0.47 119.26 123.28 1nf6 h ALA 10 Ca -0.12 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1nf6 h ALA 10 Cb 1.56 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 1nf6 h ALA 10 CO 0.16 -0.17 -0.20 0.87 0.00 0.00 0.00 179.25 179.90 1nf6 h LYS 11 N 0.45 0.00 0.13 0.00 1.57 -1.51 -1.82 116.57 115.40 1nf6 h LYS 11 Ca 0.34 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.81 1nf6 h LYS 11 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1nf6 h LYS 11 CO -0.33 0.20 -1.65 0.28 -0.57 0.00 0.00 179.45 177.39 1nf6 h VAL 12 N 0.00 0.90 -0.37 0.50 2.07 -1.21 -3.30 116.25 114.83 1nf6 h VAL 12 Ca -0.00 -2.40 -0.02 0.00 0.82 0.00 0.00 66.70 65.09 1nf6 h VAL 12 Cb 0.56 2.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 1nf6 h VAL 12 CO 0.03 0.78 0.15 0.40 0.02 0.00 0.00 177.57 178.94 1nf6 h ILE 13 N -0.13 1.15 -0.46 4.57 2.04 0.08 0.18 117.51 124.93 1nf6 h ILE 13 Ca -0.35 -0.45 -0.08 0.00 1.00 0.00 0.00 64.86 64.98 1nf6 h ILE 13 Cb 1.90 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 1nf6 h ILE 13 CO 0.09 0.17 -0.03 -0.08 0.00 0.00 0.00 178.15 178.30 1nf6 h GLU 14 N 0.52 0.84 -0.04 2.37 4.81 -1.48 0.19 114.58 121.79 1nf6 h GLU 14 Ca 0.13 -0.29 -0.17 0.00 -0.13 0.00 0.00 59.36 58.91 1nf6 h GLU 14 Cb 0.11 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1nf6 h GLU 14 CO -0.01 0.91 -0.72 -0.39 -0.73 0.00 0.00 179.01 178.07 1nf6 h VAL 15 N 0.69 1.42 -0.93 0.32 -1.51 -1.47 -1.09 116.25 113.68 1nf6 h VAL 15 Ca 0.13 -2.23 -0.01 0.00 -1.23 0.00 0.00 66.70 63.36 1nf6 h VAL 15 Cb 0.55 2.18 -0.04 0.00 -2.13 0.00 0.00 31.29 31.85 1nf6 h VAL 15 CO 0.03 0.66 0.55 -0.07 -1.23 0.00 0.00 177.57 177.50 1nf6 h LEU 16 N 0.16 1.13 -0.78 4.19 3.38 -0.56 -1.75 115.31 121.08 1nf6 h LEU 16 Ca -0.02 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1nf6 h LEU 16 Cb 1.27 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1nf6 h LEU 16 CO 0.11 0.88 -0.40 0.78 0.09 0.00 0.00 178.44 179.90 1nf6 h ASN 17 N 1.29 0.00 -0.36 -0.43 2.35 -0.27 -1.65 115.58 116.50 1nf6 h ASN 17 Ca 0.33 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.02 1nf6 h ASN 17 Cb -0.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1nf6 h ASN 17 CO -0.06 0.40 -0.01 0.11 -1.65 0.00 0.00 177.43 176.22 1nf6 h LYS 18 N 0.00 0.64 -0.13 0.81 1.57 -0.65 -0.65 116.57 118.17 1nf6 h LYS 18 Ca -0.00 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 1nf6 h LYS 18 Cb 0.98 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 1nf6 h LYS 18 CO 0.05 0.76 0.04 0.00 -0.57 0.00 0.00 179.45 179.73 1nf6 h ALA 19 N 0.86 0.17 -0.94 3.86 0.00 -1.23 -2.58 119.26 119.41 1nf6 h ALA 19 Ca 0.10 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1nf6 h ALA 19 Cb 0.47 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 1nf6 h ALA 19 CO 0.02 -0.21 0.59 -0.09 0.00 0.00 0.00 179.25 179.55 1nf6 h ARG 20 N 0.03 1.01 -0.93 0.00 2.43 -1.22 0.93 114.38 116.64 1nf6 h ARG 20 Ca 0.04 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1nf6 h ARG 20 Cb 0.22 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 29.48 1nf6 h ARG 20 CO -0.00 0.67 0.60 0.00 -1.51 0.00 0.00 179.97 179.72 1nf6 h ALA 21 N 1.45 1.25 -0.43 2.80 0.00 -0.89 0.31 119.26 123.75 1nf6 h ALA 21 Ca 0.42 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 1nf6 h ALA 21 Cb 0.24 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1nf6 h ALA 21 CO -0.19 0.42 -0.14 0.52 0.00 0.00 0.00 179.25 179.86 1nf6 h MET 22 N 1.12 0.86 -0.40 0.00 2.86 -0.82 1.48 114.93 120.03 1nf6 h MET 22 Ca 0.38 -0.35 -0.09 0.00 -2.06 0.00 0.00 59.70 57.59 1nf6 h MET 22 Cb 0.08 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1nf6 h MET 22 CO -0.14 0.98 -0.13 0.93 1.06 0.00 0.00 176.91 179.61 1nf6 h GLU 23 N 0.69 0.73 -0.15 1.72 4.39 -0.16 -0.93 114.58 120.87 1nf6 h GLU 23 Ca 0.11 -0.25 -0.04 0.00 0.34 0.00 0.00 59.36 59.52 1nf6 h GLU 23 Cb 0.69 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1nf6 h GLU 23 CO 0.05 0.83 -0.10 -0.07 -1.16 0.00 0.00 179.01 178.57 1nf6 h LEU 24 N 0.66 0.21 -0.19 1.33 3.38 -0.28 -1.80 115.31 118.63 1nf6 h LEU 24 Ca 0.11 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.86 1nf6 h LEU 24 Cb 0.60 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.30 1nf6 h LEU 24 CO 0.04 0.34 -0.59 -0.74 0.09 0.00 0.00 178.44 177.58 1nf6 h HIS 25 N 0.22 0.95 -0.86 1.13 2.76 -0.98 -3.13 115.15 115.24 1nf6 h HIS 25 Ca 0.05 -0.38 -0.03 0.00 -2.20 0.00 0.00 60.37 57.81 1nf6 h HIS 25 Cb 0.31 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 29.07 1nf6 h HIS 25 CO 0.00 1.19 0.43 0.00 -1.30 0.00 0.00 177.93 178.25 1nf6 h ALA 26 N 0.57 1.14 0.09 5.26 0.00 -0.92 1.00 119.26 126.40 1nf6 h ALA 26 Ca -0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1nf6 h ALA 26 Cb 1.21 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1nf6 h ALA 26 CO 0.12 0.66 -0.05 0.82 0.00 0.00 0.00 179.25 180.80 1nf6 h ILE 27 N 1.21 0.89 -0.52 0.00 2.04 -1.34 0.61 117.51 120.40 1nf6 h ILE 27 Ca 0.30 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.06 1nf6 h ILE 27 Cb 0.09 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1nf6 h ILE 27 CO -0.04 0.00 -0.05 0.45 0.00 0.00 0.00 178.15 178.51 1nf6 h HIS 28 N -0.14 1.01 0.18 1.37 3.86 -1.48 -0.86 115.15 119.10 1nf6 h HIS 28 Ca -0.01 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 59.02 1nf6 h HIS 28 Cb 0.11 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.32 1nf6 h HIS 28 CO -0.08 0.93 -0.09 0.37 0.86 0.00 0.00 177.93 179.92 1nf6 h GLN 29 N 0.84 -0.24 -0.44 2.45 5.75 -0.47 -1.99 115.11 121.01 1nf6 h GLN 29 Ca 0.15 0.02 -0.09 0.00 -0.15 0.00 0.00 58.65 58.57 1nf6 h GLN 29 Cb 0.56 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.15 1nf6 h GLN 29 CO 0.03 0.09 -0.10 1.88 -2.65 0.00 0.00 178.83 178.08 1nf6 h TYR 30 N -0.60 0.85 0.00 3.99 0.99 0.20 -2.33 116.97 120.07 1nf6 h TYR 30 Ca -0.03 -0.15 -0.05 0.00 2.00 0.00 0.00 58.73 60.50 1nf6 h TYR 30 Cb 0.44 -0.22 -0.01 0.00 1.00 0.00 0.00 36.73 37.94 1nf6 h TYR 30 CO 0.03 0.84 -0.25 0.52 -0.00 0.00 0.00 178.16 179.31 1nf6 h MET 31 N 0.71 0.00 -0.36 4.88 2.86 -1.19 -1.61 114.93 120.22 1nf6 h MET 31 Ca 0.12 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.66 1nf6 h MET 31 Cb 0.58 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1nf6 h MET 31 CO 0.04 0.25 -0.16 -0.97 1.06 0.00 0.00 176.91 177.13 1nf6 h ASN 32 N 0.00 0.76 -0.53 1.22 -0.73 -0.80 -2.61 115.58 112.88 1nf6 h ASN 32 Ca -0.00 -0.40 -0.09 0.00 1.87 0.00 0.00 56.30 57.68 1nf6 h ASN 32 Cb 0.68 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 39.04 1nf6 h ASN 32 CO 0.03 0.99 -0.01 1.56 -0.37 0.00 0.00 177.43 179.63 1nf6 h GLN 33 N 0.53 0.97 -0.82 6.67 4.20 -1.29 -2.53 115.11 122.85 1nf6 h GLN 33 Ca 0.08 -0.30 0.09 0.00 0.06 0.00 0.00 58.65 58.58 1nf6 h GLN 33 Cb 0.69 -0.10 -0.07 0.00 0.30 0.00 0.00 27.48 28.31 1nf6 h GLN 33 CO 0.05 0.96 0.47 1.25 -0.67 0.00 0.00 178.83 180.89 1nf6 h HIS 34 N 0.89 0.86 -0.65 2.96 2.76 -1.24 0.11 115.15 120.83 1nf6 h HIS 34 Ca 0.16 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.32 1nf6 h HIS 34 Cb 0.53 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 29.20 1nf6 h HIS 34 CO 0.03 0.37 0.26 1.88 -1.30 0.00 0.00 177.93 179.17 1nf6 h TYR 35 N 0.81 1.00 -0.12 5.26 0.99 -1.07 0.94 116.97 124.78 1nf6 h TYR 35 Ca 0.39 -0.08 -0.02 0.00 2.00 0.00 0.00 58.73 61.02 1nf6 h TYR 35 Cb 0.32 -0.30 -0.00 0.00 1.00 0.00 0.00 36.73 37.75 1nf6 h TYR 35 CO -0.06 0.78 0.00 0.77 -0.00 0.00 0.00 178.16 179.65 1nf6 h SER 36 N 0.92 0.21 -0.43 3.88 0.02 -1.01 -1.46 113.55 115.69 1nf6 h SER 36 Ca 0.22 -0.31 0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1nf6 h SER 36 Cb 0.21 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 1nf6 h SER 36 CO -0.02 0.47 0.25 -0.07 -1.14 0.00 0.00 176.83 176.31 1nf6 h LEU 37 N -0.05 0.39 -1.54 5.07 3.38 -0.70 0.23 115.31 122.09 1nf6 h LEU 37 Ca 0.03 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1nf6 h LEU 37 Cb 0.36 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1nf6 h LEU 37 CO 0.01 0.28 0.08 -0.78 0.09 0.00 0.00 178.44 178.12 1nf6 h ASP 38 N 0.50 0.34 0.34 -0.43 3.58 -0.76 -0.15 116.42 119.84 1nf6 h ASP 38 Ca 0.17 -0.03 -0.16 0.00 0.42 0.00 0.00 57.03 57.43 1nf6 h ASP 38 Cb 0.02 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 1nf6 h ASP 38 CO -0.09 0.34 -0.65 -0.78 -2.88 0.00 0.00 179.24 175.19 1nf6 h ASP 39 N 0.38 0.34 0.86 2.28 3.58 -0.33 -2.08 116.42 121.45 1nf6 h ASP 39 Ca 0.09 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.34 1nf6 h ASP 39 Cb 0.13 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.08 1nf6 h ASP 39 CO -0.01 0.90 0.00 0.23 -2.88 0.00 0.00 179.24 177.48 1nf6 n MET 40 N -3.85 0.04 -2.77 0.28 2.81 0.71 -4.89 117.12 109.46 1nf6 n MET 40 Ca -0.03 0.13 -0.10 0.00 -1.81 0.00 0.00 57.70 55.89 1nf6 n MET 40 Cb 0.65 -1.56 0.02 0.00 -0.71 0.00 0.00 33.22 31.63 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 -1.63 -3.75 -4.25 7.83 2.03 -0.22 -4.93 116.55 111.64 1nf6 n ASP 41 Ca 0.05 -0.18 -0.44 0.00 0.52 0.00 0.00 54.79 54.75 1nf6 n ASP 41 Cb 0.28 -2.50 -0.00 0.00 -0.72 0.00 0.00 41.12 38.18 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 -3.72 4.60 -0.10 -0.67 0.53 -0.33 -2.27 117.16 115.19 1nf6 n TYR 42 Ca -0.03 -3.66 -0.05 0.00 -1.02 0.00 0.00 57.90 53.14 1nf6 n TYR 42 Cb 0.54 -1.57 -0.04 0.00 -1.03 0.00 0.00 39.34 37.24 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 6.33 -1.70 1.42 2.72 0.00 -1.68 0.47 103.07 110.62 1nf6 h GLY 43 Ca 0.18 0.87 0.04 0.00 0.00 0.00 0.00 47.33 48.43 1nf6 h GLY 43 CO 1.07 -0.52 0.30 -2.09 0.00 0.00 0.00 176.54 175.30 1nf6 h GLU 44 N -0.11 0.42 0.01 4.80 4.81 -1.75 0.06 114.58 122.82 1nf6 h GLU 44 Ca 0.04 -0.03 -0.26 0.00 -0.13 0.00 0.00 59.36 58.99 1nf6 h GLU 44 Cb 0.22 -0.09 0.02 0.00 0.63 0.00 0.00 28.75 29.52 1nf6 h GLU 44 CO -0.30 0.28 -1.03 -0.07 -0.73 0.00 0.00 179.01 177.16 1nf6 h LEU 45 N 0.43 0.78 -0.51 1.64 3.38 -1.75 -2.82 115.31 116.47 1nf6 h LEU 45 Ca 0.18 -0.63 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 1nf6 h LEU 45 Cb 0.19 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1nf6 h LEU 45 CO -0.05 1.44 0.13 0.00 0.09 0.00 0.00 178.44 180.05 1nf6 h ALA 46 N 0.51 0.67 0.36 1.53 0.00 -0.17 -1.49 119.26 120.67 1nf6 h ALA 46 Ca -0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1nf6 h ALA 46 Cb 1.68 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1nf6 h ALA 46 CO 0.19 0.36 -0.17 0.00 0.00 0.00 0.00 179.25 179.63 1nf6 h ALA 47 N 1.00 -0.49 0.00 0.00 0.00 -1.06 -2.38 119.26 116.34 1nf6 h ALA 47 Ca 0.16 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1nf6 h ALA 47 Cb 0.32 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1nf6 h ALA 47 CO 0.00 -0.72 -0.20 -0.91 0.00 0.00 0.00 179.25 177.42 1nf6 h ASN 48 N -0.60 0.00 -0.70 0.00 2.35 -1.51 0.12 115.58 115.24 1nf6 h ASN 48 Ca -0.05 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.63 1nf6 h ASN 48 Cb 0.44 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.78 1nf6 h ASN 48 CO 0.08 0.20 0.16 -0.03 -1.65 0.00 0.00 177.43 176.19 1nf6 h MET 49 N 0.00 1.13 -0.23 0.81 4.05 -1.12 -1.75 114.93 117.82 1nf6 h MET 49 Ca -0.00 -0.28 -0.17 0.00 -0.28 0.00 0.00 59.70 58.97 1nf6 h MET 49 Cb 0.38 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 31.03 1nf6 h MET 49 CO 0.03 1.00 -0.55 -0.22 0.23 0.00 0.00 176.91 177.39 1nf6 h LYS 50 N 1.06 0.68 -0.81 0.39 3.64 -0.70 -0.98 116.57 119.86 1nf6 h LYS 50 Ca 0.22 -0.43 -0.04 0.00 -1.27 0.00 0.00 60.65 59.12 1nf6 h LYS 50 Cb 0.39 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.22 1nf6 h LYS 50 CO 0.00 1.05 0.35 -0.07 -2.27 0.00 0.00 179.45 178.52 1nf6 h LEU 51 N 0.52 1.10 -0.51 5.20 3.38 -0.95 -0.37 115.31 123.68 1nf6 h LEU 51 Ca 0.01 -0.16 -0.15 0.00 0.09 0.00 0.00 57.88 57.67 1nf6 h LEU 51 Cb 1.12 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1nf6 h LEU 51 CO 0.11 0.95 -0.44 0.40 0.09 0.00 0.00 178.44 179.56 1nf6 h ILE 52 N 1.17 1.29 -0.93 1.22 2.04 -1.17 -1.64 117.51 119.50 1nf6 h ILE 52 Ca 0.27 -1.62 0.05 0.00 1.00 0.00 0.00 64.86 64.56 1nf6 h ILE 52 Cb 0.18 1.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.74 1nf6 h ILE 52 CO -0.03 0.52 0.61 0.00 0.00 0.00 0.00 178.15 179.25 1nf6 h ALA 53 N 0.93 1.45 0.00 1.87 0.00 -0.69 -0.17 119.26 122.66 1nf6 h ALA 53 Ca 0.04 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1nf6 h ALA 53 Cb 0.99 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1nf6 h ALA 53 CO 0.09 0.43 -0.36 0.82 0.00 0.00 0.00 179.25 180.23 1nf6 h ILE 54 N 1.11 0.99 -0.51 0.00 2.04 -0.68 -0.56 117.51 119.89 1nf6 h ILE 54 Ca 0.39 -1.36 -0.08 0.00 1.00 0.00 0.00 64.86 64.81 1nf6 h ILE 54 Cb 0.12 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1nf6 h ILE 54 CO -0.14 0.35 0.01 0.44 0.00 0.00 0.00 178.15 178.82 1nf6 h ASP 55 N 0.00 0.87 -0.51 1.72 3.32 -0.09 -2.58 116.42 119.14 1nf6 h ASP 55 Ca -0.00 -0.30 -0.07 0.00 0.02 0.00 0.00 57.03 56.67 1nf6 h ASP 55 Cb 0.77 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1nf6 h ASP 55 CO 0.05 0.96 0.06 -0.33 -1.72 0.00 0.00 179.24 178.25 1nf6 h GLU 56 N 0.76 0.92 -0.85 3.56 4.39 -0.69 -1.36 114.58 121.30 1nf6 h GLU 56 Ca 0.15 -0.24 0.11 0.00 0.34 0.00 0.00 59.36 59.71 1nf6 h GLU 56 Cb 0.50 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 28.98 1nf6 h GLU 56 CO 0.02 0.88 0.55 0.52 -1.16 0.00 0.00 179.01 179.82 1nf6 h MET 57 N 0.86 0.74 -0.13 2.33 2.86 -0.93 0.17 114.93 120.83 1nf6 h MET 57 Ca 0.17 -0.04 -0.19 0.00 -2.06 0.00 0.00 59.70 57.58 1nf6 h MET 57 Cb 0.43 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 1nf6 h MET 57 CO 0.01 0.49 -0.68 -0.09 1.06 0.00 0.00 176.91 177.70 1nf6 h ARG 58 N 0.76 0.55 0.13 1.72 2.43 -0.92 -1.88 114.38 117.17 1nf6 h ARG 58 Ca 0.40 -0.42 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1nf6 h ARG 58 Cb 0.51 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1nf6 h ARG 58 CO -0.17 1.04 -0.06 0.45 -1.51 0.00 0.00 179.97 179.72 1nf6 h HIS 59 N 0.39 -0.16 -0.94 2.20 3.86 -0.39 0.74 115.15 120.85 1nf6 h HIS 59 Ca -0.02 -0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.27 1nf6 h HIS 59 Cb 1.26 0.05 -0.07 0.00 1.06 0.00 0.00 27.41 29.71 1nf6 h HIS 59 CO 0.05 -0.06 0.58 0.00 0.86 0.00 0.00 177.93 179.36 1nf6 h ALA 60 N 0.66 1.35 -0.53 2.45 0.00 -0.60 0.97 119.26 123.55 1nf6 h ALA 60 Ca -0.02 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1nf6 h ALA 60 Cb 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1nf6 h ALA 60 CO 0.03 0.26 -0.03 1.49 0.00 0.00 0.00 179.25 181.00 1nf6 h GLU 61 N 0.99 0.97 -0.24 0.00 4.81 -1.17 -1.36 114.58 118.58 1nf6 h GLU 61 Ca 0.44 -0.33 -0.20 0.00 -0.13 0.00 0.00 59.36 59.14 1nf6 h GLU 61 Cb 0.32 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1nf6 h GLU 61 CO -0.22 0.99 -0.62 -0.91 -0.73 0.00 0.00 179.01 177.52 1nf6 h ASN 62 N 0.84 0.96 -0.24 1.04 2.35 0.09 -0.39 115.58 120.23 1nf6 h ASN 62 Ca 0.15 -0.57 0.04 0.00 -0.55 0.00 0.00 56.30 55.37 1nf6 h ASN 62 Cb 0.58 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.63 1nf6 h ASN 62 CO 0.03 1.35 -0.01 -0.26 -1.65 0.00 0.00 177.43 176.90 1nf6 h PHE 63 N 0.61 -0.03 -0.99 1.19 0.05 -0.80 0.82 116.94 117.79 1nf6 h PHE 63 Ca -0.01 0.02 0.01 0.00 3.82 0.00 0.00 57.97 61.81 1nf6 h PHE 63 Cb 1.24 0.05 -0.05 0.00 2.00 0.00 0.00 35.95 39.19 1nf6 h PHE 63 CO 0.08 -0.05 0.64 0.00 -0.18 0.00 0.00 178.31 178.81 1nf6 h ALA 64 N 1.21 1.28 -0.48 2.45 0.00 -1.17 0.32 119.26 122.87 1nf6 h ALA 64 Ca 0.12 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1nf6 h ALA 64 Cb 0.15 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1nf6 h ALA 64 CO -0.20 0.66 -0.21 0.93 0.00 0.00 0.00 179.25 180.42 1nf6 h GLU 65 N 1.34 1.00 -0.00 0.00 5.08 -0.08 -1.79 114.58 120.13 1nf6 h GLU 65 Ca 0.36 -0.43 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1nf6 h GLU 65 Cb -0.14 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1nf6 h GLU 65 CO -0.08 1.11 -0.48 -0.09 -1.00 0.00 0.00 179.01 178.47 1nf6 h ARG 66 N 0.86 0.00 -0.60 2.33 9.65 -0.50 -1.32 114.38 124.80 1nf6 h ARG 66 Ca 0.11 -0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.89 1nf6 h ARG 66 Cb 0.80 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.35 1nf6 h ARG 66 CO 0.07 0.48 -0.00 0.82 2.80 0.00 0.00 179.97 184.14 1nf6 h ILE 67 N 0.00 1.27 -0.50 1.20 2.04 -0.66 -2.79 117.51 118.07 1nf6 h ILE 67 Ca -0.00 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 64.69 1nf6 h ILE 67 Cb 0.85 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1nf6 h ILE 67 CO 0.06 0.42 0.24 0.11 0.00 0.00 0.00 178.15 178.98 1nf6 h LYS 68 N 0.96 0.72 0.00 2.37 1.79 -0.88 -0.47 116.57 121.06 1nf6 h LYS 68 Ca 0.17 -0.11 -0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1nf6 h LYS 68 Cb 0.56 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1nf6 h LYS 68 CO 0.03 0.61 -0.01 0.93 -1.08 0.00 0.00 179.45 179.93 1nf6 h GLU 69 N 0.66 0.00 -0.01 3.15 5.08 -1.12 -0.92 114.58 121.42 1nf6 h GLU 69 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1nf6 h GLU 69 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1nf6 h GLU 69 CO -0.02 0.01 -0.20 1.28 -1.00 0.00 0.00 179.01 179.08 1nf6 n LEU 70 N -4.23 0.97 0.00 1.33 4.77 -1.03 -4.94 117.00 113.87 1nf6 n LEU 70 Ca -0.03 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1nf6 n LEU 70 Cb 0.09 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1nf6 n LEU 70 CO 0.31 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1nf6 n GLY 71 N 1.31 0.62 1.86 -0.72 0.00 -0.35 -4.90 105.19 103.00 1nf6 n GLY 71 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.01 0.45 3.11 -0.02 0.00 -0.21 -4.98 105.19 101.53 1nf6 n GLY 72 Ca 0.00 -1.95 -0.33 0.00 0.00 0.00 0.00 46.02 43.74 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 -3.78 2.93 0.22 1.61 2.56 -1.26 -4.23 118.70 116.76 1nf6 s GLU 73 Ca 0.32 -0.82 -0.31 0.00 0.00 0.00 0.00 54.97 54.17 1nf6 s GLU 73 Cb -0.02 -2.54 -0.10 0.00 2.00 0.00 0.00 34.13 33.47 1nf6 s GLU 73 CO 0.22 -0.22 1.50 -2.14 -0.56 0.00 0.00 175.26 174.06 1nf6 s PRO 74 N 1.30 4.23 0.54 4.30 0.02 -1.26 -4.97 135.00 139.15 1nf6 s PRO 74 Ca 0.05 2.36 -0.21 0.00 0.02 0.00 0.00 61.00 63.21 1nf6 s PRO 74 Cb -0.13 -3.11 -0.05 0.00 0.02 0.00 0.00 34.50 31.22 1nf6 s PRO 74 CO -0.13 -0.51 1.29 -0.08 -0.33 0.00 0.00 177.00 177.24 1nf6 s THR 75 N 0.40 2.41 -1.76 0.99 -1.32 -1.26 -4.93 115.64 110.17 1nf6 s THR 75 Ca 0.64 0.30 0.15 0.00 -1.21 0.00 0.00 61.69 61.56 1nf6 s THR 75 Cb -0.43 -3.15 0.16 0.00 -1.51 0.00 0.00 72.50 67.57 1nf6 s THR 75 CO 0.40 -0.01 1.02 0.35 -2.21 0.00 0.00 174.62 174.16 1nf6 n THR 76 N -1.01 0.15 -4.74 5.08 -2.24 -1.26 -4.93 114.28 105.33 1nf6 n THR 76 Ca 0.10 -0.57 -0.33 0.00 -2.27 0.00 0.00 64.05 60.98 1nf6 n THR 76 Cb 0.47 1.19 -0.15 0.00 -2.10 0.00 0.00 70.33 69.74 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 -1.20 3.33 0.57 -0.78 1.11 -1.26 -5.10 119.66 116.32 1nf6 s GLN 77 Ca 0.19 -0.71 -0.15 0.00 0.01 0.00 0.00 55.36 54.70 1nf6 s GLN 77 Cb 0.13 -2.61 -0.05 0.00 -1.01 0.00 0.00 33.01 29.46 1nf6 s GLN 77 CO 0.19 0.16 1.02 -1.59 0.01 0.00 0.00 175.29 175.08 1nf6 s LYS 78 N 0.47 3.66 -0.31 2.91 -2.85 -1.26 -4.48 119.74 117.88 1nf6 s LYS 78 Ca -0.10 0.96 -0.11 0.00 -1.00 0.00 0.00 55.97 55.72 1nf6 s LYS 78 Cb -0.16 -2.09 -0.02 0.00 -2.06 0.00 0.00 37.83 33.50 1nf6 s LYS 78 CO 0.05 -0.51 0.20 -2.00 0.10 0.00 0.00 175.35 173.19 1nf6 s GLU 79 N -4.38 3.59 0.00 1.78 2.56 0.50 -4.90 118.70 117.85 1nf6 s GLU 79 Ca 0.59 -0.57 0.00 0.00 0.00 0.00 0.00 54.97 54.99 1nf6 s GLU 79 Cb -0.12 -3.70 0.00 0.00 2.00 0.00 0.00 34.13 32.31 1nf6 s GLU 79 CO 0.39 -0.36 0.00 0.41 -0.56 0.00 0.00 175.26 175.14 1nf6 n GLY 80 N 5.06 -1.47 3.62 -1.50 0.00 -1.26 -4.64 105.19 105.00 1nf6 n GLY 80 Ca -0.13 -2.17 -0.34 0.00 0.00 0.00 0.00 46.02 43.37 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 -0.36 3.18 -0.16 1.61 1.02 -1.26 -5.05 119.74 118.71 1nf6 s LYS 81 Ca 0.00 -0.45 -0.22 0.00 0.02 0.00 0.00 55.97 55.32 1nf6 s LYS 81 Cb 0.00 -2.82 -0.03 0.00 -0.52 0.00 0.00 37.83 34.46 1nf6 s LYS 81 CO 0.00 0.56 0.67 0.08 -0.92 0.00 0.00 175.35 175.74 1nf6 s VAL 82 N -0.50 5.01 -0.30 3.17 1.01 -1.26 -5.03 120.40 122.50 1nf6 s VAL 82 Ca 0.08 1.31 -0.17 0.00 0.00 0.00 0.00 61.98 63.20 1nf6 s VAL 82 Cb -0.12 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 1nf6 s VAL 82 CO 0.02 0.14 0.48 -0.69 0.00 0.00 0.00 175.10 175.05 1nf6 s VAL 83 N 1.64 5.07 0.48 2.92 1.01 -1.26 -5.08 120.40 125.19 1nf6 s VAL 83 Ca 0.32 0.57 0.05 0.00 0.00 0.00 0.00 61.98 62.92 1nf6 s VAL 83 Cb -0.16 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.39 1nf6 s VAL 83 CO 0.12 -0.02 0.67 0.42 0.00 0.00 0.00 175.10 176.29 1nf6 s THR 84 N 2.28 2.84 0.00 3.92 -4.23 -1.26 -4.58 115.64 114.61 1nf6 s THR 84 Ca 0.19 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 1nf6 s THR 84 Cb -0.16 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.69 1nf6 s THR 84 CO 0.11 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.80 1nf6 n GLY 85 N -2.08 0.91 3.67 3.99 0.00 -1.26 -4.96 105.19 105.46 1nf6 n GLY 85 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 1nf6 n GLY 85 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nf6 n GLN 86 N -2.00 1.93 -1.38 1.61 6.02 -1.26 -4.97 117.38 117.34 1nf6 n GLN 86 Ca 0.00 0.68 -0.29 0.00 -0.01 0.00 0.00 57.00 57.38 1nf6 n GLN 86 Cb 0.00 -2.24 0.13 0.00 1.02 0.00 0.00 30.24 29.15 1nf6 n GLN 86 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nf6 s ALA 87 N -0.83 1.69 0.20 -1.58 0.00 -1.26 -4.73 121.76 115.26 1nf6 s ALA 87 Ca 0.59 -0.26 -0.10 0.00 0.00 0.00 0.00 51.96 52.19 1nf6 s ALA 87 Cb -0.62 -3.12 0.15 0.00 0.00 0.00 0.00 23.12 19.53 1nf6 s ALA 87 CO 0.59 -2.24 1.82 0.28 0.00 0.00 0.00 175.76 176.20 1nf6 h VAL 88 N -1.46 1.23 -0.39 0.00 2.07 -2.00 -0.82 116.25 114.87 1nf6 h VAL 88 Ca -0.50 -0.60 0.04 0.00 0.82 0.00 0.00 66.70 66.47 1nf6 h VAL 88 Cb 1.30 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1nf6 h VAL 88 CO 0.58 0.26 0.26 -0.65 0.02 0.00 0.00 177.57 178.05 1nf6 h PRO 89 N 1.04 0.36 0.23 1.57 0.11 -1.98 -3.11 132.00 130.23 1nf6 h PRO 89 Ca 0.26 -0.02 -0.33 0.00 0.11 0.00 0.00 66.00 66.02 1nf6 h PRO 89 Cb 0.06 -0.08 0.03 0.00 0.11 0.00 0.00 31.00 31.12 1nf6 h PRO 89 CO -0.04 0.24 -1.52 0.28 -0.21 0.00 0.00 178.00 176.74 1nf6 h VAL 90 N 0.37 1.20 -0.75 3.15 2.07 -1.71 -2.96 116.25 117.61 1nf6 h VAL 90 Ca 0.16 -2.64 0.10 0.00 0.82 0.00 0.00 66.70 65.15 1nf6 h VAL 90 Cb 0.20 2.98 -0.12 0.00 -1.52 0.00 0.00 31.29 32.83 1nf6 h VAL 90 CO -0.04 0.82 -0.46 0.40 0.02 0.00 0.00 177.57 178.30 1nf6 h ILE 91 N 0.10 0.05 0.00 4.57 2.04 -1.11 -0.11 117.51 123.05 1nf6 h ILE 91 Ca -0.28 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1nf6 h ILE 91 Cb 2.12 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1nf6 h ILE 91 CO 0.24 0.00 -0.02 1.88 0.00 0.00 0.00 178.15 180.25 1nf6 h TYR 92 N -0.14 0.00 0.03 1.37 -1.99 -1.66 -1.81 116.97 112.77 1nf6 h TYR 92 Ca 0.21 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.72 1nf6 h TYR 92 Cb 0.54 0.00 0.02 0.00 2.00 0.00 0.00 36.73 39.29 1nf6 h TYR 92 CO -0.81 0.02 -0.87 1.49 -0.00 0.00 0.00 178.16 177.99 1nf6 h GLU 93 N 0.00 0.54 0.01 4.88 4.81 -1.17 -3.19 114.58 120.46 1nf6 h GLU 93 Ca -0.00 -0.62 -0.20 0.00 -0.13 0.00 0.00 59.36 58.41 1nf6 h GLU 93 Cb 0.99 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 1nf6 h GLU 93 CO 0.00 1.24 -0.95 0.66 -0.73 0.00 0.00 179.01 179.23 1nf6 h SER 94 N 0.11 0.05 0.04 1.04 4.64 -1.03 -2.72 113.55 115.68 1nf6 h SER 94 Ca -0.12 -0.05 -0.10 0.00 -0.47 0.00 0.00 61.79 61.06 1nf6 h SER 94 Cb 1.56 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.63 1nf6 h SER 94 CO 0.17 0.96 -0.31 0.44 -0.87 0.00 0.00 176.83 177.23 1nf6 h ASP 95 N 0.01 0.40 -0.14 4.97 3.32 -1.46 -0.83 116.42 122.70 1nf6 h ASP 95 Ca -0.02 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 56.83 1nf6 h ASP 95 Cb 1.66 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 41.09 1nf6 h ASP 95 CO 0.13 0.69 -0.14 0.00 -1.72 0.00 0.00 179.24 178.20 1nf6 h ALA 96 N 1.34 0.21 -0.93 3.45 0.00 -1.54 -0.80 119.26 120.99 1nf6 h ALA 96 Ca 0.05 -0.32 0.09 0.00 0.00 0.00 0.00 54.91 54.73 1nf6 h ALA 96 Cb 0.71 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 1nf6 h ALA 96 CO 0.05 0.08 0.60 -0.44 0.00 0.00 0.00 179.25 179.54 1nf6 h ASP 97 N -0.04 0.86 -0.19 0.00 3.32 -1.33 -0.70 116.42 118.35 1nf6 h ASP 97 Ca 0.02 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 1nf6 h ASP 97 Cb 0.67 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 1nf6 h ASP 97 CO 0.03 0.51 -0.17 -0.61 -1.72 0.00 0.00 179.24 177.29 1nf6 h GLN 98 N 0.96 0.46 -0.64 3.56 4.15 -1.05 -1.82 115.11 120.72 1nf6 h GLN 98 Ca 0.43 -0.23 -0.03 0.00 0.77 0.00 0.00 58.65 59.58 1nf6 h GLN 98 Cb 0.37 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.03 1nf6 h GLN 98 CO -0.19 0.80 0.29 0.93 -1.93 0.00 0.00 178.83 178.73 1nf6 h GLU 99 N 0.13 0.92 -0.11 1.69 4.39 -0.56 -0.02 114.58 121.01 1nf6 h GLU 99 Ca 0.03 -0.13 -0.09 0.00 0.34 0.00 0.00 59.36 59.51 1nf6 h GLU 99 Cb 0.70 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1nf6 h GLU 99 CO 0.04 0.73 -0.34 0.22 -1.16 0.00 0.00 179.01 178.50 1nf6 h ASP 100 N 0.91 0.21 0.70 1.42 1.82 -1.08 -1.20 116.42 119.20 1nf6 h ASP 100 Ca 0.22 -0.08 -0.26 0.00 -0.39 0.00 0.00 57.03 56.52 1nf6 h ASP 100 Cb 0.13 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.07 1nf6 h ASP 100 CO -0.03 0.55 -1.22 0.00 -1.61 0.00 0.00 179.24 176.93 1nf6 h ALA 101 N 1.47 0.18 -0.52 -0.78 0.00 -0.55 -2.57 119.26 116.49 1nf6 h ALA 101 Ca 0.02 -0.92 -0.02 0.00 0.00 0.00 0.00 54.91 53.99 1nf6 h ALA 101 Cb 0.69 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1nf6 h ALA 101 CO 0.05 1.06 0.23 1.15 0.00 0.00 0.00 179.25 181.75 1nf6 h THR 102 N 0.06 1.20 -0.79 0.00 2.02 -0.88 0.18 112.91 114.69 1nf6 h THR 102 Ca -0.12 -0.59 -0.04 0.00 0.77 0.00 0.00 66.41 66.43 1nf6 h THR 102 Cb 1.93 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 68.94 1nf6 h THR 102 CO 0.18 0.23 0.33 0.40 0.37 0.00 0.00 175.52 177.03 1nf6 h ILE 103 N 0.69 1.26 -0.47 3.11 2.04 -1.25 0.55 117.51 123.43 1nf6 h ILE 103 Ca 0.18 -0.79 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 1nf6 h ILE 103 Cb 0.15 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 1nf6 h ILE 103 CO -0.02 0.33 0.12 -0.33 0.00 0.00 0.00 178.15 178.24 1nf6 h GLU 104 N 1.14 0.76 -0.28 2.37 4.39 -1.15 -0.61 114.58 121.20 1nf6 h GLU 104 Ca 0.27 -0.18 -0.17 0.00 0.34 0.00 0.00 59.36 59.61 1nf6 h GLU 104 Cb 0.19 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1nf6 h GLU 104 CO -0.02 0.74 -0.51 0.00 -1.16 0.00 0.00 179.01 178.06 1nf6 h ALA 105 N 0.98 0.43 -0.12 3.43 0.00 -0.30 -2.68 119.26 121.01 1nf6 h ALA 105 Ca 0.15 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1nf6 h ALA 105 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1nf6 h ALA 105 CO 0.00 0.62 -0.28 1.88 0.00 0.00 0.00 179.25 181.48 1nf6 h TYR 106 N 0.60 0.25 0.00 0.00 -1.99 0.16 0.27 116.97 116.26 1nf6 h TYR 106 Ca 0.01 -0.05 -0.06 0.00 2.00 0.00 0.00 58.73 60.63 1nf6 h TYR 106 Cb 1.12 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 39.77 1nf6 h TYR 106 CO 0.08 0.49 -0.30 0.77 -0.00 0.00 0.00 178.16 179.19 1nf6 h SER 107 N 0.20 0.00 0.66 3.88 0.02 -1.05 0.14 113.55 117.40 1nf6 h SER 107 Ca 0.03 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.71 1nf6 h SER 107 Cb 0.60 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 1nf6 h SER 107 CO 0.04 0.30 -1.33 1.56 -1.14 0.00 0.00 176.83 176.27 1nf6 h GLN 108 N 0.00 0.14 -0.55 3.45 1.08 -0.99 -3.23 115.11 115.02 1nf6 h GLN 108 Ca -0.00 -0.25 -0.05 0.00 -1.45 0.00 0.00 58.65 56.90 1nf6 h GLN 108 Cb 0.72 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.22 1nf6 h GLN 108 CO 0.04 1.02 0.16 0.74 -0.95 0.00 0.00 178.83 179.84 1nf6 h PHE 109 N 0.04 0.90 -0.84 2.96 0.05 -0.62 -2.37 116.94 117.05 1nf6 h PHE 109 Ca -0.15 -0.10 0.13 0.00 3.82 0.00 0.00 57.97 61.67 1nf6 h PHE 109 Cb 1.93 -0.26 -0.09 0.00 2.00 0.00 0.00 35.95 39.54 1nf6 h PHE 109 CO 0.04 0.77 0.46 1.25 -0.18 0.00 0.00 178.31 180.64 1nf6 h LEU 110 N 0.77 0.60 -0.41 1.54 6.46 -0.81 -2.38 115.31 121.07 1nf6 h LEU 110 Ca 0.18 0.07 0.03 0.00 -0.12 0.00 0.00 57.88 58.04 1nf6 h LEU 110 Cb 0.30 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.16 1nf6 h LEU 110 CO -0.00 0.29 0.19 0.50 -0.62 0.00 0.00 178.44 178.80 1nf6 h LYS 111 N 0.70 0.38 -0.41 1.25 3.64 -1.44 -1.70 116.57 118.98 1nf6 h LYS 111 Ca 0.44 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.85 1nf6 h LYS 111 Cb 0.54 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.23 1nf6 h LYS 111 CO -0.31 0.25 0.14 0.28 -2.27 0.00 0.00 179.45 177.54 1nf6 h VAL 112 N 0.39 0.87 -0.48 2.00 2.07 -1.29 0.61 116.25 120.42 1nf6 h VAL 112 Ca 0.18 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.66 1nf6 h VAL 112 Cb 0.10 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.35 1nf6 h VAL 112 CO -0.13 0.06 0.15 0.00 0.02 0.00 0.00 177.57 177.67 1nf6 h LYS 114 N 0.32 -0.49 -0.72 0.00 1.57 -0.58 0.13 116.57 116.80 1nf6 h LYS 114 Ca 0.23 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 59.19 1nf6 h LYS 114 Cb 0.26 0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.64 1nf6 h LYS 114 CO -0.25 -0.33 0.48 0.93 -0.57 0.00 0.00 179.45 179.71 1nf6 h GLU 115 N -0.51 0.38 -0.42 3.15 5.08 0.49 0.96 114.58 123.72 1nf6 h GLU 115 Ca 0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1nf6 h GLU 115 Cb 0.49 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1nf6 h GLU 115 CO -0.09 0.25 0.00 1.04 -1.00 0.00 0.00 179.01 179.22 1nf6 n GLN 116 N -4.47 1.98 -3.78 2.33 1.13 0.15 -4.93 117.38 109.78 1nf6 n GLN 116 Ca 0.13 -1.47 -0.27 0.00 -1.94 0.00 0.00 57.00 53.45 1nf6 n GLN 116 Cb 0.51 -1.33 0.02 0.00 0.11 0.00 0.00 30.24 29.54 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 1.12 -0.57 2.91 1.08 0.00 0.33 -4.95 105.19 105.11 1nf6 n GLY 117 Ca 0.14 0.28 -0.30 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.98 4.32 0.19 1.61 -1.08 0.33 -4.96 116.67 113.10 1nf6 s ASP 118 Ca 0.21 -3.14 -0.02 0.00 -0.52 0.00 0.00 52.55 49.08 1nf6 s ASP 118 Cb -0.07 -1.57 0.10 0.00 -1.46 0.00 0.00 42.92 39.92 1nf6 s ASP 118 CO 0.86 -0.21 1.48 0.40 0.52 0.00 0.00 175.17 178.23 1nf6 h ILE 119 N 5.25 1.35 -0.49 4.11 1.08 -1.93 -1.95 117.51 124.93 1nf6 h ILE 119 Ca -0.03 -1.94 -0.05 0.00 -0.39 0.00 0.00 64.86 62.45 1nf6 h ILE 119 Cb 0.87 1.93 -0.02 0.00 -3.07 0.00 0.00 36.82 36.52 1nf6 h ILE 119 CO 0.67 0.59 0.13 0.58 -0.69 0.00 0.00 178.15 179.43 1nf6 h VAL 120 N 0.35 1.24 -0.29 1.67 2.07 -1.97 -0.85 116.25 118.46 1nf6 h VAL 120 Ca -0.01 -0.83 -0.15 0.00 0.82 0.00 0.00 66.70 66.53 1nf6 h VAL 120 Cb 1.18 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1nf6 h VAL 120 CO 0.11 0.30 -0.44 0.74 0.02 0.00 0.00 177.57 178.30 1nf6 h THR 121 N 0.67 1.29 -0.41 2.57 2.02 -1.96 -2.57 112.91 114.52 1nf6 h THR 121 Ca 0.15 -1.63 0.05 0.00 0.77 0.00 0.00 66.41 65.76 1nf6 h THR 121 Cb 0.32 1.54 -0.05 0.00 -1.74 0.00 0.00 68.15 68.22 1nf6 h THR 121 CO 0.00 0.53 0.13 0.00 0.37 0.00 0.00 175.52 176.54 1nf6 h ALA 122 N 0.91 0.47 -0.59 6.16 0.00 -1.15 -1.82 119.26 123.25 1nf6 h ALA 122 Ca 0.04 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1nf6 h ALA 122 Cb 1.00 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1nf6 h ALA 122 CO 0.09 -0.27 0.35 0.00 0.00 0.00 0.00 179.25 179.43 1nf6 h ARG 123 N 0.28 0.79 -0.59 0.00 2.47 -1.01 -1.04 114.38 115.28 1nf6 h ARG 123 Ca 0.19 -0.07 0.12 0.00 -1.26 0.00 0.00 59.98 58.96 1nf6 h ARG 123 Cb 0.19 -0.17 -0.10 0.00 -1.65 0.00 0.00 29.97 28.24 1nf6 h ARG 123 CO -0.21 0.57 -0.03 1.25 0.56 0.00 0.00 179.97 182.11 1nf6 h LEU 124 N 0.79 -0.32 -0.83 3.04 5.85 -0.97 0.01 115.31 122.87 1nf6 h LEU 124 Ca 0.21 0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.99 1nf6 h LEU 124 Cb -0.02 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1nf6 h LEU 124 CO -0.04 -0.13 -0.16 -0.26 -0.34 0.00 0.00 178.44 177.51 1nf6 h PHE 125 N 0.09 0.77 -0.32 1.25 -1.00 -0.82 -2.42 116.94 114.50 1nf6 h PHE 125 Ca 0.30 -0.15 0.00 0.00 2.81 0.00 0.00 57.97 60.94 1nf6 h PHE 125 Cb 0.49 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.83 1nf6 h PHE 125 CO -0.38 0.81 0.21 0.93 -1.61 0.00 0.00 178.31 178.27 1nf6 h GLU 126 N 0.63 0.41 -0.52 1.51 5.08 0.26 0.14 114.58 122.09 1nf6 h GLU 126 Ca 0.10 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1nf6 h GLU 126 Cb 0.62 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 1nf6 h GLU 126 CO 0.04 0.27 0.33 -0.09 -1.00 0.00 0.00 179.01 178.56 1nf6 h ARG 127 N 0.42 0.65 0.00 2.33 2.43 -1.16 -3.05 114.38 116.00 1nf6 h ARG 127 Ca 0.12 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 1nf6 h ARG 127 Cb -0.04 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 1nf6 h ARG 127 CO -0.03 0.43 -0.35 0.82 -1.51 0.00 0.00 179.97 179.32 1nf6 h ILE 128 N 0.67 0.71 -0.24 1.20 2.04 -1.13 -2.95 117.51 117.81 1nf6 h ILE 128 Ca 0.20 -1.64 -0.13 0.00 1.00 0.00 0.00 64.86 64.28 1nf6 h ILE 128 Cb -0.04 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 1nf6 h ILE 128 CO -0.06 0.35 -0.39 0.40 0.00 0.00 0.00 178.15 178.44 1nf6 h ILE 129 N 0.00 1.30 -0.22 -0.67 2.04 -0.87 -1.91 117.51 117.17 1nf6 h ILE 129 Ca -0.00 -1.55 -0.11 0.00 1.00 0.00 0.00 64.86 64.19 1nf6 h ILE 129 Cb 1.05 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 1nf6 h ILE 129 CO 0.05 0.49 -0.35 -0.33 0.00 0.00 0.00 178.15 178.00 1nf6 h GLU 130 N 0.45 0.48 -0.42 2.37 5.08 -1.45 -0.99 114.58 120.11 1nf6 h GLU 130 Ca 0.04 -0.22 -0.11 0.00 -1.00 0.00 0.00 59.36 58.07 1nf6 h GLU 130 Cb 0.89 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1nf6 h GLU 130 CO 0.08 0.77 -0.18 0.93 -1.00 0.00 0.00 179.01 179.60 1nf6 h GLU 131 N 0.41 0.86 -0.82 2.33 5.08 -1.38 -1.59 114.58 119.48 1nf6 h GLU 131 Ca 0.05 -0.37 0.05 0.00 -1.00 0.00 0.00 59.36 58.08 1nf6 h GLU 131 Cb 0.80 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.97 1nf6 h GLU 131 CO 0.07 1.01 0.52 0.93 -1.00 0.00 0.00 179.01 180.53 1nf6 h GLU 132 N 0.69 0.95 -0.72 2.33 4.39 -1.22 0.39 114.58 121.39 1nf6 h GLU 132 Ca 0.10 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.78 1nf6 h GLU 132 Cb 0.74 -0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 29.13 1nf6 h GLU 132 CO 0.06 0.63 0.43 0.37 -1.16 0.00 0.00 179.01 179.34 1nf6 h GLN 133 N 0.97 0.79 -0.63 2.33 5.75 -0.84 0.62 115.11 124.10 1nf6 h GLN 133 Ca 0.34 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.73 1nf6 h GLN 133 Cb 0.09 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.43 1nf6 h GLN 133 CO -0.14 0.52 0.15 0.00 -2.65 0.00 0.00 178.83 176.71 1nf6 h ALA 134 N 1.34 1.07 -0.54 3.38 0.00 -0.35 -0.43 119.26 123.72 1nf6 h ALA 134 Ca 0.30 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1nf6 h ALA 134 Cb 0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1nf6 h ALA 134 CO -0.15 0.62 0.21 0.45 0.00 0.00 0.00 179.25 180.38 1nf6 h HIS 135 N 0.95 0.83 -0.12 0.00 3.86 0.09 -2.52 115.15 118.24 1nf6 h HIS 135 Ca 0.20 -0.07 0.02 0.00 -1.16 0.00 0.00 60.37 59.36 1nf6 h HIS 135 Cb 0.34 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 1nf6 h HIS 135 CO 0.02 0.68 0.00 1.25 0.86 0.00 0.00 177.93 180.75 1nf6 h LEU 136 N 0.74 -0.03 -0.98 2.43 5.85 0.98 -1.71 115.31 122.58 1nf6 h LEU 136 Ca 0.18 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 1nf6 h LEU 136 Cb 0.21 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1nf6 h LEU 136 CO -0.01 0.00 0.23 0.74 -0.34 0.00 0.00 178.44 179.06 1nf6 h THR 137 N 0.05 1.23 -0.12 1.05 2.02 -1.12 -0.93 112.91 115.09 1nf6 h THR 137 Ca 0.05 -0.77 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 1nf6 h THR 137 Cb 0.06 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1nf6 h THR 137 CO -0.09 0.30 0.07 0.22 0.37 0.00 0.00 175.52 176.40 1nf6 h TYR 138 N 0.95 0.17 -0.58 3.16 3.20 -0.99 -1.91 116.97 120.97 1nf6 h TYR 138 Ca 0.22 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.02 1nf6 h TYR 138 Cb 0.22 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1nf6 h TYR 138 CO 0.02 0.17 0.09 1.88 -1.64 0.00 0.00 178.16 178.68 1nf6 h TYR 139 N 0.12 0.97 -0.57 -3.82 0.99 -1.04 -1.42 116.97 112.21 1nf6 h TYR 139 Ca 0.04 -0.12 -0.03 0.00 2.00 0.00 0.00 58.73 60.63 1nf6 h TYR 139 Cb 0.06 -0.27 -0.03 0.00 1.00 0.00 0.00 36.73 37.49 1nf6 h TYR 139 CO -0.05 0.83 0.23 0.93 -0.00 0.00 0.00 178.16 180.10 1nf6 h GLU 140 N 0.87 0.82 0.15 4.88 5.08 -1.09 -2.17 114.58 123.12 1nf6 h GLU 140 Ca 0.18 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1nf6 h GLU 140 Cb 0.39 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1nf6 h GLU 140 CO 0.01 0.67 -0.07 -0.91 -1.00 0.00 0.00 179.01 177.71 1nf6 h ASN 141 N 0.81 -0.17 -0.75 1.42 2.35 -0.76 -2.27 115.58 116.22 1nf6 h ASN 141 Ca 0.19 -0.37 0.03 0.00 -0.55 0.00 0.00 56.30 55.61 1nf6 h ASN 141 Cb 0.16 0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.53 1nf6 h ASN 141 CO -0.02 0.34 0.47 0.40 -1.65 0.00 0.00 177.43 176.98 1nf6 h ILE 142 N -0.75 1.10 0.00 2.81 1.08 -1.29 -1.19 117.51 119.26 1nf6 h ILE 142 Ca -0.02 -0.31 -0.02 0.00 -0.39 0.00 0.00 64.86 64.11 1nf6 h ILE 142 Cb 0.53 0.10 -0.00 0.00 -3.07 0.00 0.00 36.82 34.37 1nf6 h ILE 142 CO 0.03 0.17 -0.12 1.23 -0.69 0.00 0.00 178.15 178.77 1nf6 h GLY 143 N 0.92 0.00 0.75 5.37 0.00 -1.42 -1.89 103.07 106.81 1nf6 h GLY 143 Ca 0.30 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.57 1nf6 h GLY 143 CO -0.12 0.00 -0.14 0.23 0.00 0.00 0.00 176.54 176.51 1nf6 h SER 144 N 0.00 0.39 0.64 0.19 0.87 -0.61 -1.53 113.55 113.50 1nf6 h SER 144 Ca -0.00 -0.47 -0.13 0.00 -1.23 0.00 0.00 61.79 59.96 1nf6 h SER 144 Cb 0.23 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1nf6 h SER 144 CO 0.02 0.78 -0.62 0.45 -0.53 0.00 0.00 176.83 176.93 1nf6 h HIS 145 N 0.01 0.00 -0.25 2.24 3.86 -0.93 0.11 115.15 120.18 1nf6 h HIS 145 Ca 0.03 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.18 1nf6 h HIS 145 Cb 0.66 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.12 1nf6 h HIS 145 CO 0.08 0.62 -0.07 0.82 0.86 0.00 0.00 177.93 180.24 1nf6 h ILE 146 N 0.00 1.29 -0.42 2.45 2.04 -1.38 1.28 117.51 122.76 1nf6 h ILE 146 Ca -0.01 -1.09 -0.12 0.00 1.00 0.00 0.00 64.86 64.65 1nf6 h ILE 146 Cb 1.10 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 1nf6 h ILE 146 CO 0.08 0.34 -0.22 0.11 0.00 0.00 0.00 178.15 178.46 1nf6 h LYS 147 N 0.23 0.84 0.02 2.37 1.57 -1.13 -2.02 116.57 118.46 1nf6 h LYS 147 Ca 0.06 -0.35 -0.31 0.00 -1.87 0.00 0.00 60.65 58.18 1nf6 h LYS 147 Cb 0.54 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.77 1nf6 h LYS 147 CO 0.03 0.98 -1.83 0.09 -0.57 0.00 0.00 179.45 178.15 1nf6 n ASN 148 N -4.11 1.07 0.00 0.86 5.03 0.37 -4.59 115.26 113.89 1nf6 n ASN 148 Ca 0.00 0.34 0.00 0.00 0.87 0.00 0.00 54.58 55.79 1nf6 n ASN 148 Cb 0.44 -0.15 0.00 0.00 -1.02 0.00 0.00 39.78 39.05 1nf6 n ASN 148 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1nf6 n LEU 149 N -3.11 0.00 0.00 3.41 4.77 0.43 -5.05 117.00 117.45 1nf6 n LEU 149 Ca -0.21 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 1nf6 n LEU 149 Cb 1.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.15 1nf6 n LEU 149 CO 0.44 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1nf6 n GLY 150 N 0.92 2.66 0.26 -0.72 0.00 -0.76 -2.50 105.19 105.05 1nf6 n GLY 150 Ca 0.00 0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 0.00 0.13 1.61 3.32 -1.91 -0.58 116.42 118.99 1nf6 h ASP 151 Ca 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 1nf6 h ASP 151 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1nf6 h ASP 151 CO 0.00 0.12 -0.32 0.74 -1.72 0.00 0.00 179.24 178.07 1nf6 h THR 152 N 0.00 1.27 0.00 0.35 2.02 -1.89 0.00 112.91 114.66 1nf6 h THR 152 Ca -0.00 -1.30 -0.12 0.00 0.77 0.00 0.00 66.41 65.76 1nf6 h THR 152 Cb 0.31 1.51 0.01 0.00 -1.74 0.00 0.00 68.15 68.24 1nf6 h THR 152 CO 0.02 0.40 -0.47 0.22 0.37 0.00 0.00 175.52 176.05 1nf6 h TYR 153 N 0.25 0.47 -0.28 3.16 3.20 -1.16 -3.32 116.97 119.29 1nf6 h TYR 153 Ca 0.03 -0.26 -0.08 0.00 3.14 0.00 0.00 58.73 61.56 1nf6 h TYR 153 Cb 0.68 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 1nf6 h TYR 153 CO 0.01 1.07 -0.18 -0.07 -1.64 0.00 0.00 178.16 177.35 1nf6 h LEU 154 N -0.26 0.49 -1.90 2.82 3.38 -1.43 -2.55 115.31 115.85 1nf6 h LEU 154 Ca -0.06 -0.14 0.17 0.00 0.09 0.00 0.00 57.88 57.94 1nf6 h LEU 154 Cb 1.20 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1nf6 h LEU 154 CO 0.09 0.69 0.46 0.00 0.09 0.00 0.00 178.44 179.77 1nf6 h ALA 155 N 1.36 2.48 0.00 1.53 0.00 -1.08 0.13 119.26 123.68 1nf6 h ALA 155 Ca 0.08 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1nf6 h ALA 155 Cb 0.58 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1nf6 h ALA 155 CO 0.04 -0.66 -0.60 -0.22 0.00 0.00 0.00 179.25 177.80 1nf6 h LYS 156 N 0.09 0.00 0.00 0.00 3.64 -1.56 -3.27 116.57 115.47 1nf6 h LYS 156 Ca 0.31 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.50 1nf6 h LYS 156 Cb 1.11 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 1nf6 h LYS 156 CO -0.03 0.60 -1.31 0.82 -2.27 0.00 0.00 179.45 177.26 1nf6 h ILE 157 N 0.00 0.77 -1.47 2.00 1.08 -0.84 -3.45 117.51 115.60 1nf6 h ILE 157 Ca -0.01 -2.36 -0.73 0.00 -0.39 0.00 0.00 64.86 61.38 1nf6 h ILE 157 Cb 1.45 2.27 0.04 0.00 -3.07 0.00 0.00 36.82 37.52 1nf6 h ILE 157 CO 0.08 0.44 0.49 0.00 -0.69 0.00 0.00 178.15 178.47 1nf6 n ALA 158 N -2.41 -1.36 -0.82 1.87 0.00 0.02 -0.97 120.51 116.85 1nf6 n ALA 158 Ca -0.09 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1nf6 n ALA 158 Cb 0.89 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 2.80 0.74 3.71 0.00 0.00 -0.96 -4.98 105.19 106.50 1nf6 n GLY 159 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.05 2.41 0.51 2.61 -4.23 -0.15 -4.89 115.64 108.85 1nf6 s THR 160 Ca 0.00 0.16 -0.23 0.00 -1.18 0.00 0.00 61.69 60.44 1nf6 s THR 160 Cb 0.00 -2.48 -0.06 0.00 1.34 0.00 0.00 72.50 71.30 1nf6 s THR 160 CO 0.00 -0.15 1.38 -2.84 -0.54 0.00 0.00 174.62 172.48 1nf6 s PRO 161 N -4.40 3.33 0.00 3.99 0.02 -1.26 -3.59 135.00 133.09 1nf6 s PRO 161 Ca 0.69 2.30 0.10 0.00 0.02 0.00 0.00 61.00 64.11 1nf6 s PRO 161 Cb -0.24 -2.40 0.05 0.00 0.02 0.00 0.00 34.50 31.93 1nf6 s PRO 161 CO 0.52 -1.06 0.75 -1.13 -0.33 0.00 0.00 177.00 175.76 1nf6 n SER 162 N -0.73 1.62 -4.72 2.53 3.41 -1.26 -3.17 113.62 111.29 1nf6 n SER 162 Ca 0.08 -1.31 -0.42 0.00 -0.26 0.00 0.00 58.87 56.96 1nf6 n SER 162 Cb 0.44 0.18 -0.01 0.00 -0.26 0.00 0.00 64.21 64.56 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 0.26 3.06 -1.23 4.04 2.88 -1.26 -4.16 113.62 117.22 1nf6 n SER 163 Ca 0.05 1.21 0.08 0.00 -1.33 0.00 0.00 58.87 58.88 1nf6 n SER 163 Cb 0.24 -1.52 0.29 0.00 -0.75 0.00 0.00 64.21 62.48 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 0.52 1.78 0.00 2.46 -2.24 -1.26 -4.91 114.28 110.63 1nf6 n THR 164 Ca 0.04 -1.32 0.00 0.00 -2.27 0.00 0.00 64.05 60.51 1nf6 n THR 164 Cb 0.36 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 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 0.61 -1.21 3.64 3.38 0.00 -1.26 -5.00 105.19 105.35 1nf6 n GLY 165 Ca 0.22 -2.10 -0.37 0.00 0.00 0.00 0.00 46.02 43.77 1nf6 n GLY 165 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1nf6 n THR 166 N 0.00 3.73 -2.25 2.61 5.66 -1.26 -4.90 114.28 117.87 1nf6 n THR 166 Ca 0.00 -0.45 -0.41 0.00 -3.05 0.00 0.00 64.05 60.14 1nf6 n THR 166 Cb 0.00 -1.22 -0.03 0.00 -1.55 0.00 0.00 70.33 67.53 1nf6 n THR 166 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nf6 s ALA 167 N -1.60 3.51 -0.42 1.79 0.00 -1.26 -4.88 121.76 118.90 1nf6 s ALA 167 Ca 0.77 1.08 -0.37 0.00 0.00 0.00 0.00 51.96 53.43 1nf6 s ALA 167 Cb -0.38 -3.47 -0.16 0.00 0.00 0.00 0.00 23.12 19.11 1nf6 s ALA 167 CO 0.46 -0.51 1.69 -1.13 0.00 0.00 0.00 175.76 176.27 1nf6 n SER 168 N 2.61 0.71 -4.65 0.00 3.41 -1.26 -4.85 113.62 109.60 1nf6 n SER 168 Ca 0.06 0.66 -0.42 0.00 -0.26 0.00 0.00 58.87 58.91 1nf6 n SER 168 Cb 0.43 -0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 63.61 1nf6 n SER 168 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1nf6 s LYS 169 N 4.45 3.99 0.00 4.33 3.01 -1.26 -4.94 119.74 129.32 1nf6 s LYS 169 Ca 0.97 2.07 0.00 0.00 -1.01 0.00 0.00 55.97 58.01 1nf6 s LYS 169 Cb -1.25 -4.05 0.00 0.00 -1.01 0.00 0.00 37.83 31.52 1nf6 s LYS 169 CO 0.58 -1.07 0.00 0.41 0.51 0.00 0.00 175.35 175.78 1nf6 n GLY 170 N 4.44 5.18 0.07 -3.33 0.00 -1.26 -5.11 105.19 105.19 1nf6 n GLY 170 Ca 0.19 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.05 -3.56 116.94 116.51 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 0.67 0.00 1.33 -2.23 0.00 0.00 178.31 178.08