#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nf4 h ARG 5 N 0.00 -0.26 -0.05 -3.83 2.47 -2.01 -1.22 114.38 109.48 1nf4 h ARG 5 Ca 0.00 0.02 -0.07 0.00 -1.26 0.00 0.00 59.98 58.67 1nf4 h ARG 5 Cb 0.00 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 1nf4 h ARG 5 CO 0.00 -0.17 -0.31 0.93 0.56 0.00 0.00 179.97 180.98 1nf4 h GLU 6 N -0.27 0.09 -0.32 0.04 4.39 -2.01 -2.12 114.58 114.38 1nf4 h GLU 6 Ca 0.08 -0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.61 1nf4 h GLU 6 Cb 0.38 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1nf4 h GLU 6 CO -0.22 0.39 -0.35 0.22 -1.16 0.00 0.00 179.01 177.90 1nf4 h ASP 7 N 0.08 0.76 -0.30 1.42 3.58 -1.87 -0.96 116.42 119.13 1nf4 h ASP 7 Ca 0.01 -0.32 -0.15 0.00 0.42 0.00 0.00 57.03 56.99 1nf4 h ASP 7 Cb 0.59 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 1nf4 h ASP 7 CO 0.04 1.04 -0.36 0.03 -2.88 0.00 0.00 179.24 177.11 1nf4 h ARG 8 N 0.61 0.84 -0.06 0.28 3.08 -0.88 -2.17 114.38 116.07 1nf4 h ARG 8 Ca 0.06 -0.42 -0.02 0.00 0.07 0.00 0.00 59.98 59.67 1nf4 h ARG 8 Cb 0.88 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.93 1nf4 h ARG 8 CO 0.08 1.06 -0.03 0.87 -1.07 0.00 0.00 179.97 180.88 1nf4 h LYS 9 N 0.70 0.13 -0.88 0.04 1.57 -1.34 -2.34 116.57 114.45 1nf4 h LYS 9 Ca 0.06 -0.06 0.11 0.00 -1.87 0.00 0.00 60.65 58.90 1nf4 h LYS 9 Cb 0.92 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.15 1nf4 h LYS 9 CO 0.08 0.50 0.51 0.00 -0.57 0.00 0.00 179.45 179.98 1nf4 h ALA 10 N 0.62 1.29 -0.27 3.86 0.00 -1.17 0.31 119.26 123.90 1nf4 h ALA 10 Ca 0.01 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1nf4 h ALA 10 Cb 0.46 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1nf4 h ALA 10 CO 0.01 0.10 -0.24 0.87 0.00 0.00 0.00 179.25 179.99 1nf4 h LYS 11 N 0.82 0.52 -0.10 0.00 1.79 -1.34 -1.00 116.57 117.26 1nf4 h LYS 11 Ca 0.44 -0.20 -0.21 0.00 -2.18 0.00 0.00 60.65 58.50 1nf4 h LYS 11 Cb 0.45 -0.03 0.01 0.00 -1.58 0.00 0.00 32.23 31.08 1nf4 h LYS 11 CO -0.27 0.73 -0.77 0.28 -1.08 0.00 0.00 179.45 178.34 1nf4 h VAL 12 N 0.46 1.30 -0.85 0.50 2.07 -0.77 -2.96 116.25 116.01 1nf4 h VAL 12 Ca 0.07 -2.01 0.10 0.00 0.82 0.00 0.00 66.70 65.68 1nf4 h VAL 12 Cb 0.67 2.15 -0.06 0.00 -1.52 0.00 0.00 31.29 32.53 1nf4 h VAL 12 CO 0.05 0.62 0.55 0.40 0.02 0.00 0.00 177.57 179.21 1nf4 h ILE 13 N 0.38 0.94 -0.28 4.57 2.04 -0.23 0.13 117.51 125.06 1nf4 h ILE 13 Ca -0.07 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1nf4 h ILE 13 Cb 1.41 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1nf4 h ILE 13 CO 0.16 0.14 0.12 -0.08 0.00 0.00 0.00 178.15 178.49 1nf4 h GLU 14 N 0.79 0.42 0.00 2.37 4.81 -1.08 0.18 114.58 122.07 1nf4 h GLU 14 Ca 0.40 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.46 1nf4 h GLU 14 Cb 0.46 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1nf4 h GLU 14 CO -0.16 0.43 -0.45 -0.39 -0.73 0.00 0.00 179.01 177.71 1nf4 h VAL 15 N 0.31 0.88 -0.48 0.32 -1.51 -1.22 -1.48 116.25 113.08 1nf4 h VAL 15 Ca 0.10 -1.89 -0.10 0.00 -1.23 0.00 0.00 66.70 63.58 1nf4 h VAL 15 Cb 0.16 2.18 -0.02 0.00 -2.13 0.00 0.00 31.29 31.48 1nf4 h VAL 15 CO -0.01 0.44 -0.09 -0.07 -1.23 0.00 0.00 177.57 176.60 1nf4 h LEU 16 N 0.00 0.86 -0.54 4.19 3.38 -0.49 -1.97 115.31 120.74 1nf4 h LEU 16 Ca -0.00 -0.26 -0.15 0.00 0.09 0.00 0.00 57.88 57.56 1nf4 h LEU 16 Cb 1.15 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1nf4 h LEU 16 CO 0.06 0.97 -0.69 0.78 0.09 0.00 0.00 178.44 179.65 1nf4 h ASN 17 N 0.78 0.00 -0.32 -0.43 2.35 -0.27 -0.56 115.58 117.13 1nf4 h ASN 17 Ca 0.13 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.83 1nf4 h ASN 17 Cb 0.60 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 1nf4 h ASN 17 CO 0.04 0.69 -0.02 0.11 -1.65 0.00 0.00 177.43 176.60 1nf4 h LYS 18 N 0.00 0.58 -0.55 0.81 1.57 -1.16 -0.63 116.57 117.19 1nf4 h LYS 18 Ca -0.01 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.53 1nf4 h LYS 18 Cb 1.27 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 1nf4 h LYS 18 CO 0.09 0.72 0.16 0.00 -0.57 0.00 0.00 179.45 179.86 1nf4 h ALA 19 N 0.84 0.73 -0.61 3.86 0.00 -1.22 -1.45 119.26 121.40 1nf4 h ALA 19 Ca 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1nf4 h ALA 19 Cb 0.47 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1nf4 h ALA 19 CO 0.02 0.40 0.31 -0.09 0.00 0.00 0.00 179.25 179.89 1nf4 h ARG 20 N 0.78 0.87 -0.32 0.00 2.43 -1.03 0.66 114.38 117.77 1nf4 h ARG 20 Ca 0.18 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1nf4 h ARG 20 Cb 0.30 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1nf4 h ARG 20 CO -0.00 0.69 0.16 0.00 -1.51 0.00 0.00 179.97 179.30 1nf4 h ALA 21 N 1.14 1.67 -0.28 2.80 0.00 -0.66 -0.20 119.26 123.73 1nf4 h ALA 21 Ca 0.21 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1nf4 h ALA 21 Cb 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1nf4 h ALA 21 CO -0.03 0.27 -0.45 0.52 0.00 0.00 0.00 179.25 179.57 1nf4 h MET 22 N 0.45 0.71 -0.55 0.00 2.86 -0.21 0.10 114.93 118.29 1nf4 h MET 22 Ca 0.12 -0.39 -0.03 0.00 -2.06 0.00 0.00 59.70 57.33 1nf4 h MET 22 Cb 0.04 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1nf4 h MET 22 CO -0.02 1.01 0.22 0.93 1.06 0.00 0.00 176.91 180.11 1nf4 h GLU 23 N 0.57 0.83 -0.81 1.72 4.39 -0.14 -1.66 114.58 119.48 1nf4 h GLU 23 Ca 0.04 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1nf4 h GLU 23 Cb 1.00 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.47 1nf4 h GLU 23 CO 0.09 0.72 0.47 -0.07 -1.16 0.00 0.00 179.01 179.06 1nf4 h LEU 24 N 0.76 0.99 -0.36 1.33 3.38 -0.97 -0.34 115.31 120.09 1nf4 h LEU 24 Ca 0.18 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1nf4 h LEU 24 Cb 0.20 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1nf4 h LEU 24 CO -0.02 0.77 0.13 -0.74 0.09 0.00 0.00 178.44 178.68 1nf4 h HIS 25 N 1.13 0.55 -0.83 1.13 2.76 -1.33 -2.64 115.15 115.92 1nf4 h HIS 25 Ca 0.29 -0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.44 1nf4 h HIS 25 Cb -0.02 -0.16 -0.05 0.00 1.55 0.00 0.00 27.41 28.73 1nf4 h HIS 25 CO 0.01 0.51 0.54 0.00 -1.30 0.00 0.00 177.93 177.68 1nf4 h ALA 26 N 0.98 1.07 -0.10 5.26 0.00 -0.69 0.99 119.26 126.76 1nf4 h ALA 26 Ca 0.12 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1nf4 h ALA 26 Cb 0.20 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1nf4 h ALA 26 CO -0.01 0.39 -0.10 0.82 0.00 0.00 0.00 179.25 180.35 1nf4 h ILE 27 N 1.06 0.71 -0.49 0.00 2.04 -0.87 0.56 117.51 120.52 1nf4 h ILE 27 Ca 0.32 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 66.05 1nf4 h ILE 27 Cb -0.04 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1nf4 h ILE 27 CO -0.10 0.00 -0.19 0.45 0.00 0.00 0.00 178.15 178.31 1nf4 h HIS 28 N -0.13 1.13 -0.02 1.37 3.86 -1.21 -1.41 115.15 118.75 1nf4 h HIS 28 Ca 0.07 -0.26 -0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1nf4 h HIS 28 Cb 0.23 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.44 1nf4 h HIS 28 CO -0.22 1.08 0.01 0.37 0.86 0.00 0.00 177.93 180.03 1nf4 h GLN 29 N 0.86 0.02 -0.15 2.45 5.75 -0.59 -1.31 115.11 122.14 1nf4 h GLN 29 Ca 0.12 -0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.49 1nf4 h GLN 29 Cb 0.76 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.30 1nf4 h GLN 29 CO 0.06 0.15 -0.45 1.88 -2.65 0.00 0.00 178.83 177.82 1nf4 h TYR 30 N -0.11 0.45 -0.07 3.99 0.99 -0.90 -2.61 116.97 118.72 1nf4 h TYR 30 Ca 0.01 -0.14 -0.13 0.00 2.00 0.00 0.00 58.73 60.47 1nf4 h TYR 30 Cb 0.13 -0.09 -0.01 0.00 1.00 0.00 0.00 36.73 37.75 1nf4 h TYR 30 CO -0.03 0.77 -0.54 0.52 -0.00 0.00 0.00 178.16 178.87 1nf4 h MET 31 N 0.31 0.19 -0.28 4.88 2.86 -1.19 -0.57 114.93 121.13 1nf4 h MET 31 Ca 0.02 -0.12 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1nf4 h MET 31 Cb 0.92 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.56 1nf4 h MET 31 CO 0.08 0.69 0.07 -0.97 1.06 0.00 0.00 176.91 177.84 1nf4 h ASN 32 N 0.15 0.05 -0.73 1.22 -0.73 -0.91 0.33 115.58 114.97 1nf4 h ASN 32 Ca 0.00 0.04 -0.03 0.00 1.87 0.00 0.00 56.30 58.18 1nf4 h ASN 32 Cb 1.01 0.04 -0.03 0.00 0.27 0.00 0.00 38.32 39.60 1nf4 h ASN 32 CO 0.08 0.07 0.36 1.56 -0.37 0.00 0.00 177.43 179.13 1nf4 h GLN 33 N 0.19 1.06 -0.74 6.67 4.20 -1.25 -2.08 115.11 123.15 1nf4 h GLN 33 Ca 0.12 -0.14 0.04 0.00 0.06 0.00 0.00 58.65 58.73 1nf4 h GLN 33 Cb 0.11 -0.20 -0.05 0.00 0.30 0.00 0.00 27.48 27.65 1nf4 h GLN 33 CO -0.15 0.81 0.46 1.25 -0.67 0.00 0.00 178.83 180.53 1nf4 h HIS 34 N 1.05 0.85 -0.73 2.96 2.76 -0.45 0.29 115.15 121.89 1nf4 h HIS 34 Ca 0.26 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.44 1nf4 h HIS 34 Cb 0.10 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 28.75 1nf4 h HIS 34 CO 0.01 0.47 0.39 1.88 -1.30 0.00 0.00 177.93 179.38 1nf4 h TYR 35 N 0.88 1.01 -0.20 5.26 0.99 -0.29 0.53 116.97 125.15 1nf4 h TYR 35 Ca 0.30 -0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.99 1nf4 h TYR 35 Cb 0.06 -0.32 -0.01 0.00 1.00 0.00 0.00 36.73 37.46 1nf4 h TYR 35 CO -0.04 0.72 0.04 0.77 -0.00 0.00 0.00 178.16 179.65 1nf4 h SER 36 N 1.00 0.31 -0.69 3.88 0.02 -0.92 -0.71 113.55 116.44 1nf4 h SER 36 Ca 0.26 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1nf4 h SER 36 Cb 0.05 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 1nf4 h SER 36 CO -0.04 0.47 0.31 -0.07 -1.14 0.00 0.00 176.83 176.36 1nf4 h LEU 37 N 0.13 0.95 -0.58 5.07 3.38 -0.16 0.23 115.31 124.33 1nf4 h LEU 37 Ca 0.06 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1nf4 h LEU 37 Cb 0.28 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1nf4 h LEU 37 CO 0.00 0.83 0.09 0.44 0.09 0.00 0.00 178.44 179.89 1nf4 h ASP 38 N 1.02 0.93 -0.76 -0.43 3.32 -0.80 -1.57 116.42 118.12 1nf4 h ASP 38 Ca 0.24 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1nf4 h ASP 38 Cb 0.16 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 1nf4 h ASP 38 CO -0.03 0.96 0.43 -0.78 -1.72 0.00 0.00 179.24 178.10 1nf4 h ASP 39 N 0.87 0.95 0.64 6.45 3.58 -0.24 -1.32 116.42 127.35 1nf4 h ASP 39 Ca 0.18 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1nf4 h ASP 39 Cb 0.42 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1nf4 h ASP 39 CO 0.01 0.76 0.00 0.23 -2.88 0.00 0.00 179.24 177.36 1nf4 n MET 40 N -4.36 0.24 -3.33 0.28 2.81 0.73 -4.90 117.12 108.59 1nf4 n MET 40 Ca 0.08 0.04 -0.18 0.00 -1.81 0.00 0.00 57.70 55.83 1nf4 n MET 40 Cb 0.09 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.17 1nf4 n MET 40 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1nf4 n ASP 41 N -1.36 -4.80 -4.00 7.83 2.03 -0.50 -4.93 116.55 110.81 1nf4 n ASP 41 Ca 0.10 -0.44 -0.40 0.00 0.52 0.00 0.00 54.79 54.57 1nf4 n ASP 41 Cb 0.25 -4.14 -0.02 0.00 -0.72 0.00 0.00 41.12 36.49 1nf4 n ASP 41 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1nf4 n TYR 42 N -4.30 3.43 -0.16 -0.67 0.53 -0.74 -1.52 117.16 113.72 1nf4 n TYR 42 Ca -0.04 -3.36 -0.03 0.00 -1.02 0.00 0.00 57.90 53.45 1nf4 n TYR 42 Cb 0.57 -1.22 0.04 0.00 -1.03 0.00 0.00 39.34 37.69 1nf4 n TYR 42 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 1nf4 h GLY 43 N 5.58 0.39 1.91 2.72 0.00 -1.67 -1.03 103.07 110.98 1nf4 h GLY 43 Ca 0.19 0.14 -0.09 0.00 0.00 0.00 0.00 47.33 47.56 1nf4 h GLY 43 CO 1.11 -0.18 -0.41 -2.09 0.00 0.00 0.00 176.54 174.98 1nf4 h GLU 44 N 0.02 0.10 -0.21 4.80 4.81 -1.74 0.31 114.58 122.68 1nf4 h GLU 44 Ca 0.24 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.30 1nf4 h GLU 44 Cb 0.37 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 1nf4 h GLU 44 CO -0.49 0.49 -0.35 -0.07 -0.73 0.00 0.00 179.01 177.87 1nf4 h LEU 45 N 0.08 0.66 -0.49 1.64 3.38 -1.72 -2.41 115.31 116.46 1nf4 h LEU 45 Ca 0.01 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.42 1nf4 h LEU 45 Cb 0.76 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1nf4 h LEU 45 CO 0.06 1.07 0.22 0.00 0.09 0.00 0.00 178.44 179.88 1nf4 h ALA 46 N 0.61 0.63 -0.27 1.53 0.00 -0.79 -1.13 119.26 119.85 1nf4 h ALA 46 Ca 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1nf4 h ALA 46 Cb 0.94 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1nf4 h ALA 46 CO 0.08 0.21 0.14 0.00 0.00 0.00 0.00 179.25 179.68 1nf4 h ALA 47 N 1.06 0.34 -0.11 0.00 0.00 -0.41 -1.61 119.26 118.54 1nf4 h ALA 47 Ca 0.17 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1nf4 h ALA 47 Cb 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1nf4 h ALA 47 CO -0.02 -0.11 -0.20 -0.91 0.00 0.00 0.00 179.25 178.01 1nf4 h ASN 48 N 0.31 0.17 -0.41 0.00 2.35 -1.33 -1.26 115.58 115.41 1nf4 h ASN 48 Ca 0.09 -0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.74 1nf4 h ASN 48 Cb 0.09 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 1nf4 h ASN 48 CO -0.01 0.38 0.02 -0.03 -1.65 0.00 0.00 177.43 176.14 1nf4 h MET 49 N 0.16 0.71 -0.56 0.81 4.05 -0.82 -1.53 114.93 117.77 1nf4 h MET 49 Ca 0.03 -0.21 -0.10 0.00 -0.28 0.00 0.00 59.70 59.14 1nf4 h MET 49 Cb 0.45 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.16 1nf4 h MET 49 CO 0.03 0.78 -0.04 -0.22 0.23 0.00 0.00 176.91 177.69 1nf4 h LYS 50 N 0.55 1.01 -0.15 0.39 3.64 -0.86 -1.73 116.57 119.43 1nf4 h LYS 50 Ca 0.12 -0.34 -0.02 0.00 -1.27 0.00 0.00 60.65 59.14 1nf4 h LYS 50 Cb 0.44 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1nf4 h LYS 50 CO 0.02 1.03 0.01 -0.07 -2.27 0.00 0.00 179.45 178.17 1nf4 h LEU 51 N 0.89 0.18 -0.18 5.20 3.38 -1.15 -1.12 115.31 122.52 1nf4 h LEU 51 Ca 0.15 -0.02 -0.23 0.00 0.09 0.00 0.00 57.88 57.88 1nf4 h LEU 51 Cb 0.60 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.31 1nf4 h LEU 51 CO 0.04 0.21 -0.90 0.40 0.09 0.00 0.00 178.44 178.28 1nf4 h ILE 52 N 0.20 1.35 -0.98 1.22 2.04 -0.89 -2.57 117.51 117.89 1nf4 h ILE 52 Ca 0.05 -2.28 0.01 0.00 1.00 0.00 0.00 64.86 63.64 1nf4 h ILE 52 Cb 0.12 2.29 -0.05 0.00 -0.74 0.00 0.00 36.82 38.44 1nf4 h ILE 52 CO 0.00 0.69 0.64 0.00 0.00 0.00 0.00 178.15 179.48 1nf4 h ALA 53 N 0.68 1.29 -0.42 1.87 0.00 -0.72 -1.87 119.26 120.10 1nf4 h ALA 53 Ca -0.08 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1nf4 h ALA 53 Cb 1.53 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1nf4 h ALA 53 CO 0.16 0.66 -0.02 0.82 0.00 0.00 0.00 179.25 180.87 1nf4 h ILE 54 N 1.33 1.23 -0.55 0.00 2.04 -1.19 0.13 117.51 120.50 1nf4 h ILE 54 Ca 0.36 -0.95 0.03 0.00 1.00 0.00 0.00 64.86 65.30 1nf4 h ILE 54 Cb -0.14 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 1nf4 h ILE 54 CO -0.08 0.33 0.31 0.44 0.00 0.00 0.00 178.15 179.16 1nf4 h ASP 55 N 0.64 0.49 -0.27 1.72 5.19 -0.97 -1.43 116.42 121.80 1nf4 h ASP 55 Ca 0.13 0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.46 1nf4 h ASP 55 Cb 0.43 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.83 1nf4 h ASP 55 CO 0.02 0.34 -0.15 -0.33 -3.12 0.00 0.00 179.24 176.00 1nf4 h GLU 56 N 0.61 0.70 -0.83 3.56 4.39 -0.56 0.35 114.58 122.79 1nf4 h GLU 56 Ca 0.23 -0.24 0.08 0.00 0.34 0.00 0.00 59.36 59.77 1nf4 h GLU 56 Cb 0.07 -0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 28.60 1nf4 h GLU 56 CO -0.12 0.81 0.49 0.52 -1.16 0.00 0.00 179.01 179.55 1nf4 h MET 57 N 0.63 0.84 -0.32 2.33 2.86 -0.37 0.14 114.93 121.03 1nf4 h MET 57 Ca 0.10 -0.05 -0.17 0.00 -2.06 0.00 0.00 59.70 57.52 1nf4 h MET 57 Cb 0.61 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.07 1nf4 h MET 57 CO 0.04 0.56 -0.46 -0.09 1.06 0.00 0.00 176.91 178.02 1nf4 h ARG 58 N 0.87 0.86 -0.57 1.72 2.43 -0.71 -1.40 114.38 117.58 1nf4 h ARG 58 Ca 0.38 -0.49 0.02 0.00 -0.81 0.00 0.00 59.98 59.08 1nf4 h ARG 58 Cb 0.26 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 1nf4 h ARG 58 CO -0.21 1.13 0.36 0.45 -1.51 0.00 0.00 179.97 180.19 1nf4 h HIS 59 N 0.68 0.67 -0.82 2.20 3.86 -0.31 -0.73 115.15 120.71 1nf4 h HIS 59 Ca 0.04 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.29 1nf4 h HIS 59 Cb 1.05 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 29.25 1nf4 h HIS 59 CO 0.06 0.40 0.53 0.00 0.86 0.00 0.00 177.93 179.79 1nf4 h ALA 60 N 1.23 1.05 -0.47 2.45 0.00 -0.53 -1.60 119.26 121.40 1nf4 h ALA 60 Ca 0.22 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1nf4 h ALA 60 Cb -0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1nf4 h ALA 60 CO -0.07 0.40 0.16 1.49 0.00 0.00 0.00 179.25 181.22 1nf4 h GLU 61 N 1.07 0.73 -0.59 0.00 4.81 -1.12 -2.18 114.58 117.30 1nf4 h GLU 61 Ca 0.31 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1nf4 h GLU 61 Cb -0.07 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 1nf4 h GLU 61 CO -0.09 0.69 0.27 -0.91 -0.73 0.00 0.00 179.01 178.24 1nf4 h ASN 62 N 0.63 0.78 -0.26 1.04 2.35 -0.55 -0.31 115.58 119.25 1nf4 h ASN 62 Ca 0.15 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1nf4 h ASN 62 Cb 0.26 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1nf4 h ASN 62 CO -0.01 0.70 0.12 -0.26 -1.65 0.00 0.00 177.43 176.33 1nf4 h PHE 63 N 0.80 0.38 -0.82 1.19 0.05 -1.33 -1.42 116.94 115.79 1nf4 h PHE 63 Ca 0.20 -0.02 0.05 0.00 3.82 0.00 0.00 57.97 62.02 1nf4 h PHE 63 Cb 0.14 -0.12 -0.05 0.00 2.00 0.00 0.00 35.95 37.91 1nf4 h PHE 63 CO 0.00 0.37 0.51 0.00 -0.18 0.00 0.00 178.31 179.01 1nf4 h ALA 64 N 0.98 1.10 -0.56 2.45 0.00 -1.13 0.21 119.26 122.30 1nf4 h ALA 64 Ca 0.09 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1nf4 h ALA 64 Cb 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1nf4 h ALA 64 CO -0.01 0.29 -0.02 0.93 0.00 0.00 0.00 179.25 180.44 1nf4 h GLU 65 N 0.97 0.99 -0.10 0.00 5.08 -0.84 -1.27 114.58 119.41 1nf4 h GLU 65 Ca 0.34 -0.31 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 1nf4 h GLU 65 Cb 0.09 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1nf4 h GLU 65 CO -0.14 0.98 -0.55 -0.09 -1.00 0.00 0.00 179.01 178.22 1nf4 h ARG 66 N 0.90 0.29 -0.28 2.33 9.65 -0.70 -1.47 114.38 125.11 1nf4 h ARG 66 Ca 0.16 -0.18 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 1nf4 h ARG 66 Cb 0.56 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.14 1nf4 h ARG 66 CO 0.03 0.76 0.11 0.82 2.80 0.00 0.00 179.97 184.49 1nf4 h ILE 67 N 0.22 1.18 -0.96 1.20 2.04 -0.34 -2.51 117.51 118.34 1nf4 h ILE 67 Ca 0.00 -0.53 0.06 0.00 1.00 0.00 0.00 64.86 65.39 1nf4 h ILE 67 Cb 1.03 1.01 -0.06 0.00 -0.74 0.00 0.00 36.82 38.06 1nf4 h ILE 67 CO 0.09 0.18 0.62 0.11 0.00 0.00 0.00 178.15 179.15 1nf4 h LYS 68 N 0.30 1.10 0.00 2.37 1.79 -1.01 -1.16 116.57 119.95 1nf4 h LYS 68 Ca 0.09 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 1nf4 h LYS 68 Cb 0.18 -0.25 -0.00 0.00 -1.58 0.00 0.00 32.23 30.58 1nf4 h LYS 68 CO -0.01 0.73 -0.10 0.93 -1.08 0.00 0.00 179.45 179.92 1nf4 h GLU 69 N 1.13 0.00 -0.21 3.15 5.08 -0.93 -2.09 114.58 120.71 1nf4 h GLU 69 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 1nf4 h GLU 69 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1nf4 h GLU 69 CO -0.15 0.10 0.00 1.28 -1.00 0.00 0.00 179.01 179.24 1nf4 n LEU 70 N -3.79 2.58 0.00 1.33 4.77 -0.66 -4.95 117.00 116.27 1nf4 n LEU 70 Ca -0.02 -1.03 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 1nf4 n LEU 70 Cb 0.20 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1nf4 n LEU 70 CO 0.30 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 1nf4 n GLY 71 N 1.32 0.72 3.83 -0.72 0.00 -0.79 -4.89 105.19 104.66 1nf4 n GLY 71 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 1nf4 n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nf4 n GLY 72 N -2.46 1.70 3.24 -0.02 0.00 -0.53 -4.98 105.19 102.14 1nf4 n GLY 72 Ca 0.00 -2.19 -0.35 0.00 0.00 0.00 0.00 46.02 43.49 1nf4 n GLY 72 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nf4 s GLU 73 N -4.68 3.08 0.21 1.61 2.56 -1.26 -4.03 118.70 116.19 1nf4 s GLU 73 Ca 0.61 -0.82 -0.30 0.00 0.00 0.00 0.00 54.97 54.46 1nf4 s GLU 73 Cb -0.05 -2.96 -0.09 0.00 2.00 0.00 0.00 34.13 33.04 1nf4 s GLU 73 CO 0.39 -0.30 1.28 -2.14 -0.56 0.00 0.00 175.26 173.93 1nf4 s PRO 74 N 1.39 4.41 0.68 4.30 0.02 -1.26 -4.99 135.00 139.56 1nf4 s PRO 74 Ca 0.03 2.03 -0.14 0.00 0.02 0.00 0.00 61.00 62.93 1nf4 s PRO 74 Cb -0.15 -3.19 0.01 0.00 0.02 0.00 0.00 34.50 31.19 1nf4 s PRO 74 CO -0.05 -0.20 1.12 -0.08 -0.33 0.00 0.00 177.00 177.46 1nf4 s THR 75 N -0.05 3.13 -0.03 0.99 -1.32 -1.26 -4.96 115.64 112.15 1nf4 s THR 75 Ca 0.55 0.51 0.04 0.00 -1.21 0.00 0.00 61.69 61.58 1nf4 s THR 75 Cb -0.36 -3.02 0.07 0.00 -1.51 0.00 0.00 72.50 67.67 1nf4 s THR 75 CO 0.39 -0.34 1.03 0.35 -2.21 0.00 0.00 174.62 173.84 1nf4 n THR 76 N -2.59 1.19 -4.43 5.08 -2.24 -1.26 -4.92 114.28 105.11 1nf4 n THR 76 Ca 0.11 -1.28 -0.34 0.00 -2.27 0.00 0.00 64.05 60.27 1nf4 n THR 76 Cb 0.52 0.34 -0.11 0.00 -2.10 0.00 0.00 70.33 68.98 1nf4 n THR 76 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1nf4 s GLN 77 N -1.41 3.18 0.44 -0.78 1.11 -1.26 -5.10 119.66 115.84 1nf4 s GLN 77 Ca 0.07 -0.47 -0.12 0.00 0.01 0.00 0.00 55.36 54.85 1nf4 s GLN 77 Cb 0.06 -2.80 -0.07 0.00 -1.01 0.00 0.00 33.01 29.20 1nf4 s GLN 77 CO 0.01 0.53 0.83 -1.59 0.01 0.00 0.00 175.29 175.08 1nf4 s LYS 78 N -0.43 3.80 -0.13 2.91 -2.85 -1.26 -4.40 119.74 117.38 1nf4 s LYS 78 Ca 0.07 0.58 -0.26 0.00 -1.00 0.00 0.00 55.97 55.37 1nf4 s LYS 78 Cb -0.12 -2.32 -0.02 0.00 -2.06 0.00 0.00 37.83 33.31 1nf4 s LYS 78 CO 0.02 -0.12 0.85 -2.00 0.10 0.00 0.00 175.35 174.20 1nf4 s GLU 79 N -3.98 4.36 1.86 1.78 -6.30 -0.00 -4.93 118.70 111.49 1nf4 s GLU 79 Ca 0.53 1.09 0.00 0.00 -2.50 0.00 0.00 54.97 54.09 1nf4 s GLU 79 Cb -0.10 -3.54 0.00 0.00 0.00 0.00 0.00 34.13 30.49 1nf4 s GLU 79 CO 0.33 -0.23 0.00 0.41 0.02 0.00 0.00 175.26 175.78 1nf4 n GLY 80 N 3.29 -1.55 3.30 -1.50 0.00 -1.26 -4.69 105.19 102.77 1nf4 n GLY 80 Ca 0.04 -1.34 -0.26 0.00 0.00 0.00 0.00 46.02 44.46 1nf4 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nf4 s LYS 81 N 0.00 1.29 -0.12 1.61 -0.14 -1.26 -5.08 119.74 116.04 1nf4 s LYS 81 Ca 0.00 -1.12 -0.25 0.00 -1.36 0.00 0.00 55.97 53.23 1nf4 s LYS 81 Cb 0.00 -1.54 -0.02 0.00 -1.68 0.00 0.00 37.83 34.58 1nf4 s LYS 81 CO 0.00 0.37 0.81 0.08 -0.76 0.00 0.00 175.35 175.86 1nf4 s VAL 82 N -1.01 4.93 -0.20 3.17 1.01 -1.26 -5.04 120.40 121.99 1nf4 s VAL 82 Ca 0.08 1.63 -0.21 0.00 0.00 0.00 0.00 61.98 63.48 1nf4 s VAL 82 Cb -0.10 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 1nf4 s VAL 82 CO 0.04 0.11 0.65 -0.69 0.00 0.00 0.00 175.10 175.20 1nf4 s VAL 83 N 1.62 5.00 0.42 2.92 1.01 -1.26 -5.06 120.40 125.05 1nf4 s VAL 83 Ca 0.40 1.22 0.08 0.00 0.00 0.00 0.00 61.98 63.68 1nf4 s VAL 83 Cb -0.17 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 1nf4 s VAL 83 CO 0.16 0.09 0.38 0.42 0.00 0.00 0.00 175.10 176.16 1nf4 s THR 84 N 1.99 2.67 -1.85 3.92 -4.23 -1.26 -4.60 115.64 112.28 1nf4 s THR 84 Ca 0.29 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 1nf4 s THR 84 Cb -0.16 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.68 1nf4 s THR 84 CO 0.10 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 1nf4 n GLY 85 N -1.56 0.52 3.75 3.99 0.00 -1.26 -4.95 105.19 105.68 1nf4 n GLY 85 Ca 0.04 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1nf4 n GLY 85 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nf4 s GLN 86 N -4.44 4.57 0.59 1.61 -0.21 -1.26 -5.02 119.66 115.50 1nf4 s GLN 86 Ca 0.00 1.87 -0.15 0.00 0.02 0.00 0.00 55.36 57.10 1nf4 s GLN 86 Cb 0.00 -3.19 -0.04 0.00 1.00 0.00 0.00 33.01 30.78 1nf4 s GLN 86 CO 0.00 0.09 1.04 0.00 -2.12 0.00 0.00 175.29 174.30 1nf4 s ALA 87 N -0.89 2.83 0.25 6.09 0.00 -1.26 -4.76 121.76 124.02 1nf4 s ALA 87 Ca 0.47 0.28 -0.04 0.00 0.00 0.00 0.00 51.96 52.67 1nf4 s ALA 87 Cb -0.33 -3.19 0.47 0.00 0.00 0.00 0.00 23.12 20.07 1nf4 s ALA 87 CO 0.42 -0.72 1.73 0.28 0.00 0.00 0.00 175.76 177.46 1nf4 h VAL 88 N 0.36 0.64 -0.56 0.00 2.07 -2.00 0.32 116.25 117.09 1nf4 h VAL 88 Ca -0.46 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 1nf4 h VAL 88 Cb 1.21 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1nf4 h VAL 88 CO 0.58 0.08 0.33 -0.65 0.02 0.00 0.00 177.57 177.94 1nf4 h PRO 89 N 0.43 0.75 -0.05 1.57 0.11 -1.97 -3.03 132.00 129.82 1nf4 h PRO 89 Ca 0.42 -0.06 -0.21 0.00 0.11 0.00 0.00 66.00 66.26 1nf4 h PRO 89 Cb 0.65 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 1nf4 h PRO 89 CO -0.41 0.53 -0.83 0.28 -0.21 0.00 0.00 178.00 177.35 1nf4 h VAL 90 N 0.76 1.38 -0.07 3.15 2.07 -0.79 -3.02 116.25 119.74 1nf4 h VAL 90 Ca 0.20 -2.27 0.04 0.00 0.82 0.00 0.00 66.70 65.49 1nf4 h VAL 90 Cb -0.03 2.24 -0.06 0.00 -1.52 0.00 0.00 31.29 31.93 1nf4 h VAL 90 CO -0.04 0.68 -0.35 0.40 0.02 0.00 0.00 177.57 178.28 1nf4 h ILE 91 N 0.27 0.24 0.00 4.57 2.04 -1.00 0.38 117.51 124.01 1nf4 h ILE 91 Ca -0.05 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.67 1nf4 h ILE 91 Cb 1.44 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1nf4 h ILE 91 CO 0.14 0.00 -0.66 1.88 0.00 0.00 0.00 178.15 179.52 1nf4 h TYR 92 N -0.47 0.00 -0.06 1.37 -1.99 -1.65 -0.33 116.97 113.84 1nf4 h TYR 92 Ca 0.07 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.79 1nf4 h TYR 92 Cb 0.58 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.31 1nf4 h TYR 92 CO -0.40 0.66 -0.03 1.49 -0.00 0.00 0.00 178.16 179.88 1nf4 h GLU 93 N 0.00 0.13 0.00 4.88 4.81 -1.38 -2.79 114.58 120.24 1nf4 h GLU 93 Ca -0.01 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.04 1nf4 h GLU 93 Cb 1.31 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 1nf4 h GLU 93 CO 0.09 0.49 -0.61 0.77 -0.73 0.00 0.00 179.01 179.02 1nf4 h SER 94 N -0.24 0.00 -0.22 1.04 0.02 -0.87 -2.67 113.55 110.61 1nf4 h SER 94 Ca 0.01 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.86 1nf4 h SER 94 Cb 0.45 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1nf4 h SER 94 CO 0.01 0.61 -0.23 0.44 -1.14 0.00 0.00 176.83 176.52 1nf4 h ASP 95 N 0.00 0.69 0.05 3.07 3.32 -1.08 -0.85 116.42 121.61 1nf4 h ASP 95 Ca -0.01 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 1nf4 h ASP 95 Cb 1.09 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1nf4 h ASP 95 CO 0.08 0.90 -0.02 0.00 -1.72 0.00 0.00 179.24 178.48 1nf4 h ALA 96 N 1.15 -0.06 -0.61 3.45 0.00 -1.44 0.94 119.26 122.68 1nf4 h ALA 96 Ca 0.08 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.02 1nf4 h ALA 96 Cb 0.71 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.44 1nf4 h ALA 96 CO 0.05 -0.45 0.17 -0.44 0.00 0.00 0.00 179.25 178.58 1nf4 h ASP 97 N -0.22 0.10 -0.31 0.00 3.32 -1.29 0.22 116.42 118.24 1nf4 h ASP 97 Ca -0.01 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1nf4 h ASP 97 Cb 0.20 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1nf4 h ASP 97 CO 0.01 0.06 0.16 -0.61 -1.72 0.00 0.00 179.24 177.13 1nf4 h GLN 98 N 0.32 0.44 -0.73 3.56 4.15 -0.95 0.18 115.11 122.07 1nf4 h GLN 98 Ca 0.32 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.66 1nf4 h GLN 98 Cb 0.45 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.03 1nf4 h GLN 98 CO -0.37 0.40 0.37 0.93 -1.93 0.00 0.00 178.83 178.23 1nf4 h GLU 99 N 0.37 1.04 -0.79 1.69 4.39 0.02 -0.47 114.58 120.84 1nf4 h GLU 99 Ca 0.11 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1nf4 h GLU 99 Cb 0.10 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.52 1nf4 h GLU 99 CO -0.01 0.80 0.37 0.22 -1.16 0.00 0.00 179.01 179.22 1nf4 h ASP 100 N 1.02 1.04 -0.03 1.42 1.82 -0.26 -1.66 116.42 119.77 1nf4 h ASP 100 Ca 0.25 -0.14 -0.11 0.00 -0.39 0.00 0.00 57.03 56.64 1nf4 h ASP 100 Cb 0.09 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 39.82 1nf4 h ASP 100 CO -0.04 0.89 -0.32 0.00 -1.61 0.00 0.00 179.24 178.16 1nf4 h ALA 101 N 1.19 0.99 -0.66 -0.78 0.00 0.23 -2.48 119.26 117.76 1nf4 h ALA 101 Ca 0.27 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1nf4 h ALA 101 Cb 0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1nf4 h ALA 101 CO -0.03 0.60 0.13 1.15 0.00 0.00 0.00 179.25 181.10 1nf4 h THR 102 N 0.43 1.26 -0.59 0.00 2.02 -0.92 -0.74 112.91 114.37 1nf4 h THR 102 Ca 0.05 -1.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.19 1nf4 h THR 102 Cb 0.78 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 1nf4 h THR 102 CO 0.06 0.38 0.17 0.40 0.37 0.00 0.00 175.52 176.90 1nf4 h ILE 103 N 1.00 1.23 -0.20 3.11 2.04 -1.10 0.16 117.51 123.74 1nf4 h ILE 103 Ca 0.20 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 1nf4 h ILE 103 Cb 0.41 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1nf4 h ILE 103 CO 0.01 0.31 0.02 -0.33 0.00 0.00 0.00 178.15 178.15 1nf4 h GLU 104 N 0.86 0.34 -0.25 2.37 4.39 -1.14 -1.48 114.58 119.68 1nf4 h GLU 104 Ca 0.19 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 1nf4 h GLU 104 Cb 0.27 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1nf4 h GLU 104 CO -0.01 0.52 0.08 0.00 -1.16 0.00 0.00 179.01 178.45 1nf4 h ALA 105 N 0.81 0.33 -0.07 3.43 0.00 -0.95 -2.77 119.26 120.04 1nf4 h ALA 105 Ca 0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1nf4 h ALA 105 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1nf4 h ALA 105 CO 0.01 -0.05 -0.16 1.88 0.00 0.00 0.00 179.25 180.93 1nf4 h TYR 106 N 0.24 0.11 -0.52 0.00 -1.99 -0.67 0.23 116.97 114.37 1nf4 h TYR 106 Ca 0.08 -0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.71 1nf4 h TYR 106 Cb 0.23 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 38.90 1nf4 h TYR 106 CO 0.00 0.27 -0.04 0.77 -0.00 0.00 0.00 178.16 179.16 1nf4 h SER 107 N 0.10 0.90 -0.27 3.88 0.02 -1.15 0.15 113.55 117.19 1nf4 h SER 107 Ca 0.02 -0.26 -0.09 0.00 -0.84 0.00 0.00 61.79 60.63 1nf4 h SER 107 Cb 0.34 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1nf4 h SER 107 CO 0.02 0.99 -0.17 1.56 -1.14 0.00 0.00 176.83 178.08 1nf4 h GLN 108 N 0.84 0.59 -0.86 3.45 4.20 -1.05 -2.67 115.11 119.61 1nf4 h GLN 108 Ca 0.15 -0.28 0.05 0.00 0.06 0.00 0.00 58.65 58.64 1nf4 h GLN 108 Cb 0.56 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.27 1nf4 h GLN 108 CO 0.03 0.86 0.54 0.74 -0.67 0.00 0.00 178.83 180.33 1nf4 h PHE 109 N 0.31 1.00 -0.75 2.96 0.05 -0.21 -1.81 116.94 118.49 1nf4 h PHE 109 Ca 0.05 0.03 0.07 0.00 3.82 0.00 0.00 57.97 61.94 1nf4 h PHE 109 Cb 0.71 -0.32 -0.06 0.00 2.00 0.00 0.00 35.95 38.27 1nf4 h PHE 109 CO 0.07 0.52 0.43 1.25 -0.18 0.00 0.00 178.31 180.41 1nf4 h LEU 110 N 1.00 0.66 -0.80 1.54 6.46 -0.66 -1.99 115.31 121.51 1nf4 h LEU 110 Ca 0.37 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 58.15 1nf4 h LEU 110 Cb 0.13 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 39.91 1nf4 h LEU 110 CO -0.16 0.41 0.49 0.50 -0.62 0.00 0.00 178.44 179.06 1nf4 h LYS 111 N 0.79 1.09 -0.73 1.25 3.64 -0.99 -1.74 116.57 119.87 1nf4 h LYS 111 Ca 0.34 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1nf4 h LYS 111 Cb 0.21 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1nf4 h LYS 111 CO -0.19 0.76 0.41 0.28 -2.27 0.00 0.00 179.45 178.44 1nf4 h VAL 112 N 1.10 1.22 -0.60 2.00 2.07 -0.79 0.25 116.25 121.51 1nf4 h VAL 112 Ca 0.29 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.30 1nf4 h VAL 112 Cb -0.05 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 29.93 1nf4 h VAL 112 CO -0.05 0.24 0.36 0.00 0.02 0.00 0.00 177.57 178.13 1nf4 h LYS 114 N 0.71 0.69 -0.49 0.00 1.57 -1.04 0.30 116.57 118.31 1nf4 h LYS 114 Ca 0.24 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1nf4 h LYS 114 Cb 0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1nf4 h LYS 114 CO -0.11 0.65 0.32 0.93 -0.57 0.00 0.00 179.45 180.68 1nf4 h GLU 115 N 0.59 0.62 -0.35 3.15 5.08 -0.12 0.34 114.58 123.88 1nf4 h GLU 115 Ca 0.15 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1nf4 h GLU 115 Cb 0.24 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1nf4 h GLU 115 CO -0.01 0.41 0.00 1.04 -1.00 0.00 0.00 179.01 179.45 1nf4 n GLN 116 N -4.47 1.78 -3.50 2.33 1.13 0.21 -4.92 117.38 109.94 1nf4 n GLN 116 Ca 0.04 -1.10 -0.25 0.00 -1.94 0.00 0.00 57.00 53.75 1nf4 n GLN 116 Cb 0.07 -1.29 0.04 0.00 0.11 0.00 0.00 30.24 29.17 1nf4 n GLN 116 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nf4 n GLY 117 N 0.90 -0.52 3.17 1.08 0.00 0.11 -4.90 105.19 105.03 1nf4 n GLY 117 Ca 0.10 0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 1nf4 n GLY 117 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nf4 s ASP 118 N -3.07 5.69 0.10 1.61 -1.08 0.94 -4.93 116.67 115.93 1nf4 s ASP 118 Ca 0.51 -2.74 -0.17 0.00 -0.52 0.00 0.00 52.55 49.63 1nf4 s ASP 118 Cb -0.24 -1.96 -0.06 0.00 -1.46 0.00 0.00 42.92 39.19 1nf4 s ASP 118 CO 0.63 -0.45 1.55 0.40 0.52 0.00 0.00 175.17 177.82 1nf4 h ILE 119 N 5.21 1.25 -0.46 4.11 1.08 -1.93 -1.99 117.51 124.77 1nf4 h ILE 119 Ca 0.00 -0.89 0.01 0.00 -0.39 0.00 0.00 64.86 63.60 1nf4 h ILE 119 Cb 0.99 1.25 -0.03 0.00 -3.07 0.00 0.00 36.82 35.96 1nf4 h ILE 119 CO 0.73 0.29 0.29 0.58 -0.69 0.00 0.00 178.15 179.35 1nf4 h VAL 120 N 0.31 1.08 -0.25 1.67 2.07 -1.97 -1.28 116.25 117.87 1nf4 h VAL 120 Ca 0.09 -0.20 -0.12 0.00 0.82 0.00 0.00 66.70 67.29 1nf4 h VAL 120 Cb 0.40 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1nf4 h VAL 120 CO 0.01 0.11 -0.34 0.74 0.02 0.00 0.00 177.57 178.11 1nf4 h THR 121 N 0.59 1.29 -0.38 2.57 2.02 -1.96 -2.21 112.91 114.83 1nf4 h THR 121 Ca 0.18 -1.45 0.01 0.00 0.77 0.00 0.00 66.41 65.92 1nf4 h THR 121 Cb -0.03 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1nf4 h THR 121 CO -0.06 0.46 0.23 0.00 0.37 0.00 0.00 175.52 176.52 1nf4 h ALA 122 N 1.18 0.48 -0.36 6.16 0.00 -0.61 -0.85 119.26 125.26 1nf4 h ALA 122 Ca 0.05 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1nf4 h ALA 122 Cb 0.81 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1nf4 h ALA 122 CO 0.07 -0.10 -0.03 -0.09 0.00 0.00 0.00 179.25 179.09 1nf4 h ARG 123 N 0.47 0.58 -0.02 0.00 9.65 -1.07 0.14 114.38 124.13 1nf4 h ARG 123 Ca 0.15 -0.14 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1nf4 h ARG 123 Cb -0.01 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 28.49 1nf4 h ARG 123 CO -0.06 0.63 -0.01 1.25 2.80 0.00 0.00 179.97 184.58 1nf4 h LEU 124 N 0.55 -0.02 -0.66 3.80 5.85 -0.84 0.77 115.31 124.76 1nf4 h LEU 124 Ca 0.11 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.87 1nf4 h LEU 124 Cb 0.40 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 1nf4 h LEU 124 CO 0.02 -0.01 0.41 -0.26 -0.34 0.00 0.00 178.44 178.26 1nf4 h PHE 125 N -0.00 0.76 -0.65 1.25 -1.00 -0.56 -1.48 116.94 115.26 1nf4 h PHE 125 Ca 0.01 0.02 0.07 0.00 2.81 0.00 0.00 57.97 60.88 1nf4 h PHE 125 Cb 0.02 -0.25 -0.06 0.00 3.61 0.00 0.00 35.95 39.27 1nf4 h PHE 125 CO -0.09 0.43 0.33 1.49 -1.61 0.00 0.00 178.31 178.85 1nf4 h GLU 126 N 0.79 0.58 -0.34 1.51 4.81 -0.29 0.35 114.58 122.00 1nf4 h GLU 126 Ca 0.27 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.30 1nf4 h GLU 126 Cb 0.04 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1nf4 h GLU 126 CO -0.11 0.38 -0.43 0.00 -0.73 0.00 0.00 179.01 178.12 1nf4 h ARG 127 N 0.60 0.86 -0.17 1.92 3.08 -0.48 -2.91 114.38 117.29 1nf4 h ARG 127 Ca 0.30 -0.47 -0.14 0.00 0.07 0.00 0.00 59.98 59.74 1nf4 h ARG 127 Cb 0.25 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1nf4 h ARG 127 CO -0.22 1.11 -0.49 0.82 -1.07 0.00 0.00 179.97 180.13 1nf4 h ILE 128 N 0.69 1.32 -0.78 2.04 2.04 -0.71 -2.51 117.51 119.61 1nf4 h ILE 128 Ca 0.05 -1.71 0.04 0.00 1.00 0.00 0.00 64.86 64.24 1nf4 h ILE 128 Cb 1.01 1.73 -0.04 0.00 -0.74 0.00 0.00 36.82 38.78 1nf4 h ILE 128 CO 0.10 0.52 0.51 0.40 0.00 0.00 0.00 178.15 179.68 1nf4 h ILE 129 N 0.35 1.11 -0.10 -0.67 2.04 -0.90 0.14 117.51 119.47 1nf4 h ILE 129 Ca 0.02 -0.32 -0.09 0.00 1.00 0.00 0.00 64.86 65.47 1nf4 h ILE 129 Cb 0.98 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1nf4 h ILE 129 CO 0.09 0.17 -0.34 -0.33 0.00 0.00 0.00 178.15 177.74 1nf4 h GLU 130 N 0.94 0.20 -0.21 2.37 5.08 -1.25 -0.94 114.58 120.76 1nf4 h GLU 130 Ca 0.31 -0.08 -0.20 0.00 -1.00 0.00 0.00 59.36 58.40 1nf4 h GLU 130 Cb 0.07 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1nf4 h GLU 130 CO -0.09 0.51 -0.65 0.93 -1.00 0.00 0.00 179.01 178.71 1nf4 h GLU 131 N 0.17 0.76 -0.75 2.33 5.08 -0.82 -2.93 114.58 118.44 1nf4 h GLU 131 Ca 0.02 -0.55 0.04 0.00 -1.00 0.00 0.00 59.36 57.87 1nf4 h GLU 131 Cb 0.68 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 1nf4 h GLU 131 CO 0.05 1.17 0.49 0.93 -1.00 0.00 0.00 179.01 180.65 1nf4 h GLU 132 N 0.56 0.87 -0.35 2.33 4.39 -0.32 -0.74 114.58 121.33 1nf4 h GLU 132 Ca -0.02 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1nf4 h GLU 132 Cb 1.26 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.69 1nf4 h GLU 132 CO 0.13 0.58 0.17 0.37 -1.16 0.00 0.00 179.01 179.10 1nf4 h GLN 133 N 0.90 0.47 0.00 2.33 5.75 -1.07 0.19 115.11 123.68 1nf4 h GLN 133 Ca 0.30 -0.05 -0.14 0.00 -0.15 0.00 0.00 58.65 58.61 1nf4 h GLN 133 Cb 0.06 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.50 1nf4 h GLN 133 CO -0.09 0.37 -0.67 0.00 -2.65 0.00 0.00 178.83 175.80 1nf4 h ALA 134 N 1.71 0.84 -0.13 3.38 0.00 -0.98 -1.99 119.26 122.09 1nf4 h ALA 134 Ca 0.12 -0.61 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 1nf4 h ALA 134 Cb 0.05 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1nf4 h ALA 134 CO -0.02 0.83 -0.09 0.45 0.00 0.00 0.00 179.25 180.43 1nf4 h HIS 135 N 0.00 0.33 -0.44 0.00 3.86 -0.21 -2.59 115.15 116.10 1nf4 h HIS 135 Ca -0.01 -0.09 0.09 0.00 -1.16 0.00 0.00 60.37 59.20 1nf4 h HIS 135 Cb 1.22 -0.07 -0.08 0.00 1.06 0.00 0.00 27.41 29.54 1nf4 h HIS 135 CO 0.00 0.65 -0.07 1.25 0.86 0.00 0.00 177.93 180.62 1nf4 h LEU 136 N -0.08 -0.33 -0.90 2.43 5.85 -0.62 -1.37 115.31 120.28 1nf4 h LEU 136 Ca 0.02 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1nf4 h LEU 136 Cb 0.58 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 1nf4 h LEU 136 CO 0.02 -0.12 0.48 0.74 -0.34 0.00 0.00 178.44 179.22 1nf4 h THR 137 N 0.03 1.26 -0.06 1.05 2.02 -1.37 -0.89 112.91 114.95 1nf4 h THR 137 Ca 0.21 -0.66 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 1nf4 h THR 137 Cb 0.32 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1nf4 h THR 137 CO -0.42 0.30 0.03 0.22 0.37 0.00 0.00 175.52 176.01 1nf4 h TYR 138 N 1.26 0.10 -0.69 3.16 3.20 -0.90 -2.09 116.97 121.01 1nf4 h TYR 138 Ca 0.31 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.14 1nf4 h TYR 138 Cb 0.05 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 1nf4 h TYR 138 CO 0.01 0.23 0.28 1.88 -1.64 0.00 0.00 178.16 178.92 1nf4 h TYR 139 N -0.06 1.04 -0.52 -3.82 0.99 -1.08 -1.27 116.97 112.24 1nf4 h TYR 139 Ca 0.02 -0.07 -0.04 0.00 2.00 0.00 0.00 58.73 60.63 1nf4 h TYR 139 Cb 0.17 -0.31 -0.02 0.00 1.00 0.00 0.00 36.73 37.56 1nf4 h TYR 139 CO -0.02 0.80 0.15 0.93 -0.00 0.00 0.00 178.16 180.02 1nf4 h GLU 140 N 0.97 0.79 -0.18 4.88 5.08 -1.11 -0.39 114.58 124.62 1nf4 h GLU 140 Ca 0.23 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1nf4 h GLU 140 Cb 0.20 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1nf4 h GLU 140 CO -0.02 0.70 -0.16 -0.91 -1.00 0.00 0.00 179.01 177.61 1nf4 h ASN 141 N 0.77 0.46 -0.61 1.42 2.35 -1.07 -0.60 115.58 118.29 1nf4 h ASN 141 Ca 0.17 -0.47 -0.05 0.00 -0.55 0.00 0.00 56.30 55.40 1nf4 h ASN 141 Cb 0.25 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 1nf4 h ASN 141 CO -0.01 0.83 0.18 0.40 -1.65 0.00 0.00 177.43 177.18 1nf4 h ILE 142 N 0.09 1.25 -0.85 2.81 1.08 -1.12 -2.22 117.51 118.54 1nf4 h ILE 142 Ca 0.03 -0.86 0.00 0.00 -0.39 0.00 0.00 64.86 63.64 1nf4 h ILE 142 Cb 0.70 0.65 -0.04 0.00 -3.07 0.00 0.00 36.82 35.06 1nf4 h ILE 142 CO 0.04 0.32 0.53 1.23 -0.69 0.00 0.00 178.15 179.59 1nf4 h GLY 143 N 0.87 1.22 1.06 5.37 0.00 -0.99 -0.16 103.07 110.44 1nf4 h GLY 143 Ca 0.19 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 1nf4 h GLY 143 CO -0.00 0.47 0.01 0.23 0.00 0.00 0.00 176.54 177.25 1nf4 h SER 144 N 1.16 1.01 -0.08 0.19 0.87 -0.92 -1.14 113.55 114.65 1nf4 h SER 144 Ca 0.31 -0.30 -0.14 0.00 -1.23 0.00 0.00 61.79 60.43 1nf4 h SER 144 Cb -0.08 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.60 1nf4 h SER 144 CO -0.06 1.06 -0.42 0.45 -0.53 0.00 0.00 176.83 177.33 1nf4 h HIS 145 N 0.93 0.74 -0.40 2.24 -0.00 -0.70 0.53 115.15 118.49 1nf4 h HIS 145 Ca 0.17 -0.22 -0.05 0.00 -0.00 0.00 0.00 60.37 60.27 1nf4 h HIS 145 Cb 0.54 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.78 1nf4 h HIS 145 CO 0.04 0.93 0.05 0.82 -0.00 0.00 0.00 177.93 179.77 1nf4 h ILE 146 N 0.50 1.24 -0.32 2.45 2.04 -0.92 0.45 117.51 122.95 1nf4 h ILE 146 Ca 0.04 -0.89 -0.14 0.00 1.00 0.00 0.00 64.86 64.88 1nf4 h ILE 146 Cb 0.94 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1nf4 h ILE 146 CO 0.08 0.30 -0.35 0.11 0.00 0.00 0.00 178.15 178.30 1nf4 h LYS 147 N 0.51 0.73 0.00 2.37 1.57 -1.11 0.34 116.57 120.98 1nf4 h LYS 147 Ca 0.12 -0.35 -0.26 0.00 -1.87 0.00 0.00 60.65 58.28 1nf4 h LYS 147 Cb 0.38 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.65 1nf4 h LYS 147 CO 0.01 0.97 -1.73 0.09 -0.57 0.00 0.00 179.45 178.22 1nf4 n ASN 148 N -4.06 0.74 -0.01 0.86 4.13 0.17 -4.61 115.26 112.48 1nf4 n ASN 148 Ca -0.01 0.35 -0.00 0.00 1.68 0.00 0.00 54.58 56.59 1nf4 n ASN 148 Cb 0.50 0.17 -0.02 0.00 -1.54 0.00 0.00 39.78 38.89 1nf4 n ASN 148 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1nf4 n LEU 149 N -2.95 0.00 0.00 3.41 4.77 0.15 -5.06 117.00 117.32 1nf4 n LEU 149 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1nf4 n LEU 149 Cb 1.00 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 1nf4 n LEU 149 CO 0.44 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1nf4 n GLY 150 N 2.63 3.49 0.26 -0.72 0.00 0.11 -2.95 105.19 108.01 1nf4 n GLY 150 Ca -0.03 -0.07 0.06 0.00 0.00 0.00 0.00 46.02 45.97 1nf4 n GLY 150 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nf4 h ASP 151 N 0.00 0.13 -0.80 1.61 3.32 -1.92 -1.85 116.42 116.91 1nf4 h ASP 151 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1nf4 h ASP 151 Cb 0.00 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 1nf4 h ASP 151 CO 0.00 0.16 0.52 0.74 -1.72 0.00 0.00 179.24 178.93 1nf4 h THR 152 N 0.15 1.21 0.10 0.35 2.02 -1.94 -0.08 112.91 114.72 1nf4 h THR 152 Ca 0.04 -0.41 -0.20 0.00 0.77 0.00 0.00 66.41 66.60 1nf4 h THR 152 Cb 0.10 0.05 0.02 0.00 -1.74 0.00 0.00 68.15 66.57 1nf4 h THR 152 CO 0.00 0.21 -0.84 0.22 0.37 0.00 0.00 175.52 175.49 1nf4 h TYR 153 N 1.10 0.66 0.00 3.16 3.20 -1.51 -3.28 116.97 120.30 1nf4 h TYR 153 Ca 0.29 -0.43 -0.03 0.00 3.14 0.00 0.00 58.73 61.70 1nf4 h TYR 153 Cb -0.10 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.12 1nf4 h TYR 153 CO 0.00 1.29 -0.15 -0.07 -1.64 0.00 0.00 178.16 177.59 1nf4 h LEU 154 N -0.16 0.00 -1.86 2.82 3.38 -1.11 -1.97 115.31 116.41 1nf4 h LEU 154 Ca -0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1nf4 h LEU 154 Cb 1.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.34 1nf4 h LEU 154 CO 0.16 0.15 -0.10 0.00 0.09 0.00 0.00 178.44 178.75 1nf4 h ALA 155 N 1.85 1.77 0.00 1.53 0.00 -1.07 -0.81 119.26 122.53 1nf4 h ALA 155 Ca -0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1nf4 h ALA 155 Cb 0.35 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1nf4 h ALA 155 CO 0.02 0.12 -0.55 -0.22 0.00 0.00 0.00 179.25 178.62 1nf4 h LYS 156 N 0.00 0.00 0.00 0.00 3.64 -1.49 -3.20 116.57 115.53 1nf4 h LYS 156 Ca -0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1nf4 h LYS 156 Cb 0.18 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1nf4 h LYS 156 CO 0.01 0.55 -0.83 0.82 -2.27 0.00 0.00 179.45 177.73 1nf4 h ILE 157 N 0.00 0.07 -2.07 2.00 1.08 -1.25 -3.45 117.51 113.90 1nf4 h ILE 157 Ca -0.01 -1.13 -0.61 0.00 -0.39 0.00 0.00 64.86 62.72 1nf4 h ILE 157 Cb 1.32 1.68 0.03 0.00 -3.07 0.00 0.00 36.82 36.77 1nf4 h ILE 157 CO 0.07 0.04 1.00 0.00 -0.69 0.00 0.00 178.15 178.57 1nf4 n ALA 158 N -2.19 0.94 -1.00 1.87 0.00 -0.43 -1.75 120.51 117.95 1nf4 n ALA 158 Ca -0.00 0.33 -0.00 0.00 0.00 0.00 0.00 53.44 53.77 1nf4 n ALA 158 Cb 0.58 -2.44 -0.00 0.00 0.00 0.00 0.00 19.45 17.59 1nf4 n ALA 158 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nf4 n GLY 159 N 4.10 0.45 3.78 0.00 0.00 -0.58 -4.99 105.19 107.96 1nf4 n GLY 159 Ca 0.21 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1nf4 n GLY 159 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nf4 s THR 160 N -1.90 3.37 0.52 2.61 -4.23 -0.72 -4.93 115.64 110.36 1nf4 s THR 160 Ca 0.00 0.44 -0.22 0.00 -1.18 0.00 0.00 61.69 60.73 1nf4 s THR 160 Cb 0.00 -3.06 -0.06 0.00 1.34 0.00 0.00 72.50 70.72 1nf4 s THR 160 CO 0.00 -0.58 1.32 -2.65 -0.54 0.00 0.00 174.62 172.17 1nf4 n PRO 161 N -3.45 1.73 0.00 3.99 -0.02 -1.26 -3.76 135.00 132.24 1nf4 n PRO 161 Ca 0.08 0.63 0.04 0.00 -2.02 0.00 0.00 63.50 62.23 1nf4 n PRO 161 Cb 0.54 -2.52 -0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1nf4 n PRO 161 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1nf4 n SER 162 N -0.70 1.04 -4.60 2.55 3.41 -1.26 -2.98 113.62 111.09 1nf4 n SER 162 Ca 0.09 -1.02 -0.43 0.00 -0.26 0.00 0.00 58.87 57.25 1nf4 n SER 162 Cb 0.44 0.47 -0.01 0.00 -0.26 0.00 0.00 64.21 64.85 1nf4 n SER 162 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1nf4 n SER 163 N -0.31 1.30 -0.94 4.04 2.88 -1.26 -4.17 113.62 115.15 1nf4 n SER 163 Ca 0.03 1.13 0.08 0.00 -1.33 0.00 0.00 58.87 58.78 1nf4 n SER 163 Cb 0.16 -1.32 0.23 0.00 -0.75 0.00 0.00 64.21 62.53 1nf4 n SER 163 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1nf4 n THR 164 N -0.03 1.14 0.00 2.46 -2.24 -1.26 -4.90 114.28 109.45 1nf4 n THR 164 Ca 0.09 -1.07 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 1nf4 n THR 164 Cb 0.35 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1nf4 n THR 164 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nf4 n GLY 165 N 0.85 -0.06 3.73 3.38 0.00 -1.26 -4.99 105.19 106.84 1nf4 n GLY 165 Ca 0.17 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 1nf4 n GLY 165 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nf4 s THR 166 N 0.00 3.09 0.60 2.61 -1.32 -1.26 -4.95 115.64 114.41 1nf4 s THR 166 Ca 0.00 0.88 -0.19 0.00 -1.21 0.00 0.00 61.69 61.17 1nf4 s THR 166 Cb 0.00 -3.56 -0.03 0.00 -1.51 0.00 0.00 72.50 67.40 1nf4 s THR 166 CO 0.00 0.12 1.27 0.00 -2.21 0.00 0.00 174.62 173.80 1nf4 s ALA 167 N 0.27 2.56 -0.22 11.08 0.00 -1.26 -4.84 121.76 129.35 1nf4 s ALA 167 Ca 0.59 1.15 -0.20 0.00 0.00 0.00 0.00 51.96 53.50 1nf4 s ALA 167 Cb -0.38 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.14 1nf4 s ALA 167 CO 0.38 -1.34 0.83 -1.13 0.00 0.00 0.00 175.76 174.50 1nf4 n SER 168 N -1.53 0.43 -4.66 0.00 3.41 -1.26 -4.87 113.62 105.15 1nf4 n SER 168 Ca 0.13 0.41 -0.42 0.00 -0.26 0.00 0.00 58.87 58.74 1nf4 n SER 168 Cb 0.48 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 1nf4 n SER 168 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1nf4 s LYS 169 N 2.00 4.15 0.00 4.33 2.20 -1.26 -4.95 119.74 126.21 1nf4 s LYS 169 Ca 0.50 2.53 0.00 0.00 -0.36 0.00 0.00 55.97 58.64 1nf4 s LYS 169 Cb -0.67 -4.12 0.00 0.00 -1.51 0.00 0.00 37.83 31.53 1nf4 s LYS 169 CO 0.33 -0.93 0.00 0.41 -0.36 0.00 0.00 175.35 174.80 1nf4 n GLY 170 N 4.46 5.17 0.07 5.54 0.00 -1.26 -5.10 105.19 114.08 1nf4 n GLY 170 Ca 0.19 -2.04 -0.11 0.00 0.00 0.00 0.00 46.02 44.06 1nf4 n GLY 170 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1nf4 h PHE 171 N 0.68 0.00 0.00 1.61 3.57 -2.05 -3.56 116.94 117.19 1nf4 h PHE 171 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1nf4 h PHE 171 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1nf4 h PHE 171 CO 0.00 0.74 0.00 1.33 -2.23 0.00 0.00 178.31 178.15