#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nf4 n ASN 4 N 0.00 -4.00 -0.28 1.61 5.15 -1.26 -4.57 115.26 111.91 1nf4 n ASN 4 Ca 0.00 0.51 0.02 0.00 -0.60 0.00 0.00 54.58 54.51 1nf4 n ASN 4 Cb 0.00 -2.17 0.15 0.00 -0.53 0.00 0.00 39.78 37.23 1nf4 n ASN 4 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1nf4 h ARG 5 N 1.17 0.74 -0.26 1.20 2.47 -2.01 -2.37 114.38 115.32 1nf4 h ARG 5 Ca -0.01 -0.04 -0.09 0.00 -1.26 0.00 0.00 59.98 58.58 1nf4 h ARG 5 Cb 0.01 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.15 1nf4 h ARG 5 CO 0.00 0.49 -0.23 0.93 0.56 0.00 0.00 179.97 181.72 1nf4 h GLU 6 N 0.76 0.49 -0.32 0.04 3.07 -2.00 -2.75 114.58 113.87 1nf4 h GLU 6 Ca 0.37 -0.18 -0.13 0.00 -0.50 0.00 0.00 59.36 58.92 1nf4 h GLU 6 Cb 0.32 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1nf4 h GLU 6 CO -0.23 0.70 -0.32 -0.44 -1.40 0.00 0.00 179.01 177.31 1nf4 h ASP 7 N 0.44 0.84 -0.48 1.42 5.19 -1.71 -2.08 116.42 120.04 1nf4 h ASP 7 Ca 0.07 -0.47 -0.01 0.00 -0.62 0.00 0.00 57.03 56.00 1nf4 h ASP 7 Cb 0.65 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.90 1nf4 h ASP 7 CO 0.05 1.14 0.27 0.03 -3.12 0.00 0.00 179.24 177.61 1nf4 h ARG 8 N 0.56 0.67 -0.73 3.56 3.08 -1.43 -0.99 114.38 119.10 1nf4 h ARG 8 Ca 0.05 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.05 1nf4 h ARG 8 Cb 0.90 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.78 1nf4 h ARG 8 CO 0.08 0.52 0.46 0.87 -1.07 0.00 0.00 179.97 180.83 1nf4 h LYS 9 N 0.64 0.89 -0.51 0.04 1.57 -1.39 -1.93 116.57 115.88 1nf4 h LYS 9 Ca 0.17 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 1nf4 h LYS 9 Cb 0.04 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1nf4 h LYS 9 CO -0.03 0.59 -0.08 0.00 -0.57 0.00 0.00 179.45 179.35 1nf4 h ALA 10 N 1.30 0.89 -0.19 3.86 0.00 -0.85 0.41 119.26 124.67 1nf4 h ALA 10 Ca 0.29 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1nf4 h ALA 10 Cb -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1nf4 h ALA 10 CO -0.10 0.64 -0.56 0.87 0.00 0.00 0.00 179.25 180.10 1nf4 h LYS 11 N 0.83 0.59 -0.26 0.00 1.57 -1.01 -1.84 116.57 116.45 1nf4 h LYS 11 Ca 0.14 -0.38 -0.15 0.00 -1.87 0.00 0.00 60.65 58.39 1nf4 h LYS 11 Cb 0.61 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 1nf4 h LYS 11 CO 0.04 0.99 -0.41 0.28 -0.57 0.00 0.00 179.45 179.78 1nf4 h VAL 12 N 0.45 1.30 -0.69 0.50 2.07 -0.98 -2.73 116.25 116.16 1nf4 h VAL 12 Ca 0.01 -1.60 0.08 0.00 0.82 0.00 0.00 66.70 66.01 1nf4 h VAL 12 Cb 1.11 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 32.52 1nf4 h VAL 12 CO 0.11 0.51 0.46 0.40 0.02 0.00 0.00 177.57 179.07 1nf4 h ILE 13 N 0.48 0.96 -0.26 4.57 2.04 -0.11 -0.69 117.51 124.49 1nf4 h ILE 13 Ca 0.02 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1nf4 h ILE 13 Cb 1.00 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1nf4 h ILE 13 CO 0.09 0.11 0.12 -0.08 0.00 0.00 0.00 178.15 178.40 1nf4 h GLU 14 N 0.62 0.39 0.00 2.37 4.81 -1.11 -1.57 114.58 120.08 1nf4 h GLU 14 Ca 0.31 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.36 1nf4 h GLU 14 Cb 0.40 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1nf4 h GLU 14 CO -0.10 0.39 -0.56 -0.39 -0.73 0.00 0.00 179.01 177.62 1nf4 h VAL 15 N 0.29 1.29 -0.41 0.32 -1.51 -1.11 -2.58 116.25 112.53 1nf4 h VAL 15 Ca 0.09 -2.00 -0.13 0.00 -1.23 0.00 0.00 66.70 63.43 1nf4 h VAL 15 Cb 0.14 2.11 -0.01 0.00 -2.13 0.00 0.00 31.29 31.40 1nf4 h VAL 15 CO -0.01 0.55 -0.27 -0.07 -1.23 0.00 0.00 177.57 176.54 1nf4 h LEU 16 N 0.00 0.95 -1.17 4.19 3.38 -1.01 -1.41 115.31 120.24 1nf4 h LEU 16 Ca -0.01 -0.43 -0.08 0.00 0.09 0.00 0.00 57.88 57.46 1nf4 h LEU 16 Cb 1.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1nf4 h LEU 16 CO 0.07 1.17 -0.34 0.78 0.09 0.00 0.00 178.44 180.21 1nf4 h ASN 17 N 0.74 0.12 -0.43 -0.43 2.35 -1.25 0.33 115.58 117.00 1nf4 h ASN 17 Ca 0.08 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.74 1nf4 h ASN 17 Cb 0.85 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.17 1nf4 h ASN 17 CO 0.07 0.47 0.06 0.11 -1.65 0.00 0.00 177.43 176.49 1nf4 h LYS 18 N 0.11 0.72 -0.55 0.81 1.57 -1.29 -1.77 116.57 116.17 1nf4 h LYS 18 Ca 0.01 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.53 1nf4 h LYS 18 Cb 0.66 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1nf4 h LYS 18 CO 0.05 0.76 0.10 0.00 -0.57 0.00 0.00 179.45 179.79 1nf4 h ALA 19 N 0.93 0.73 -0.76 3.86 0.00 -0.68 -2.53 119.26 120.81 1nf4 h ALA 19 Ca 0.13 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1nf4 h ALA 19 Cb 0.40 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1nf4 h ALA 19 CO 0.01 0.46 0.50 -0.09 0.00 0.00 0.00 179.25 180.13 1nf4 h ARG 20 N 0.79 1.00 -0.04 0.00 2.43 -0.24 -1.58 114.38 116.73 1nf4 h ARG 20 Ca 0.17 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.20 1nf4 h ARG 20 Cb 0.39 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1nf4 h ARG 20 CO 0.01 0.67 -0.32 0.00 -1.51 0.00 0.00 179.97 178.82 1nf4 h ALA 21 N 1.27 1.40 -0.24 2.80 0.00 -1.11 -0.22 119.26 123.16 1nf4 h ALA 21 Ca 0.28 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1nf4 h ALA 21 Cb -0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1nf4 h ALA 21 CO -0.06 0.44 -0.48 0.52 0.00 0.00 0.00 179.25 179.67 1nf4 h MET 22 N 0.07 0.65 -0.25 0.00 2.86 -0.99 0.20 114.93 117.46 1nf4 h MET 22 Ca 0.01 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.26 1nf4 h MET 22 Cb 0.60 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 1nf4 h MET 22 CO 0.04 0.98 0.10 0.93 1.06 0.00 0.00 176.91 180.03 1nf4 h GLU 23 N 0.51 0.37 -0.97 1.72 4.39 -0.61 -0.73 114.58 119.27 1nf4 h GLU 23 Ca 0.03 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.69 1nf4 h GLU 23 Cb 1.02 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.56 1nf4 h GLU 23 CO 0.10 0.41 0.64 -0.07 -1.16 0.00 0.00 179.01 178.92 1nf4 h LEU 24 N 0.26 1.07 -0.21 1.33 3.38 -1.03 0.41 115.31 120.51 1nf4 h LEU 24 Ca 0.08 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1nf4 h LEU 24 Cb 0.17 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1nf4 h LEU 24 CO -0.01 0.74 0.13 -0.74 0.09 0.00 0.00 178.44 178.66 1nf4 h HIS 25 N 1.24 0.28 -0.86 1.13 2.76 -1.05 -2.98 115.15 115.67 1nf4 h HIS 25 Ca 0.38 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.55 1nf4 h HIS 25 Cb -0.04 -0.09 -0.04 0.00 1.55 0.00 0.00 27.41 28.79 1nf4 h HIS 25 CO -0.00 0.22 0.54 0.00 -1.30 0.00 0.00 177.93 177.39 1nf4 h ALA 26 N 1.04 1.09 -0.12 5.26 0.00 -0.33 0.35 119.26 126.55 1nf4 h ALA 26 Ca 0.08 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1nf4 h ALA 26 Cb 0.02 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1nf4 h ALA 26 CO -0.01 0.53 -0.04 0.82 0.00 0.00 0.00 179.25 180.54 1nf4 h ILE 27 N 1.17 0.86 -0.16 0.00 2.04 -0.86 0.31 117.51 120.86 1nf4 h ILE 27 Ca 0.31 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 66.05 1nf4 h ILE 27 Cb -0.09 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1nf4 h ILE 27 CO -0.06 0.00 -0.43 0.45 0.00 0.00 0.00 178.15 178.11 1nf4 h HIS 28 N -0.02 0.46 -0.09 1.37 3.86 -1.35 -1.72 115.15 117.66 1nf4 h HIS 28 Ca 0.06 -0.13 -0.05 0.00 -1.16 0.00 0.00 60.37 59.09 1nf4 h HIS 28 Cb 0.11 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.48 1nf4 h HIS 28 CO -0.17 0.76 -0.13 0.37 0.86 0.00 0.00 177.93 179.62 1nf4 h GLN 29 N 0.32 0.24 -0.62 2.45 5.75 -0.57 -1.53 115.11 121.15 1nf4 h GLN 29 Ca 0.03 -0.14 -0.06 0.00 -0.15 0.00 0.00 58.65 58.33 1nf4 h GLN 29 Cb 0.89 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.43 1nf4 h GLN 29 CO 0.07 0.70 0.16 1.88 -2.65 0.00 0.00 178.83 178.99 1nf4 h TYR 30 N -0.21 1.03 -0.24 3.99 0.99 -0.98 -2.24 116.97 119.30 1nf4 h TYR 30 Ca 0.01 -0.12 -0.12 0.00 2.00 0.00 0.00 58.73 60.50 1nf4 h TYR 30 Cb 0.68 -0.29 -0.01 0.00 1.00 0.00 0.00 36.73 38.11 1nf4 h TYR 30 CO 0.10 0.86 -0.36 0.52 -0.00 0.00 0.00 178.16 179.28 1nf4 h MET 31 N 0.90 0.53 -0.92 4.88 2.86 -1.34 0.25 114.93 122.08 1nf4 h MET 31 Ca 0.19 -0.25 0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1nf4 h MET 31 Cb 0.35 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.96 1nf4 h MET 31 CO 0.00 0.82 0.60 -0.97 1.06 0.00 0.00 176.91 178.42 1nf4 h ASN 32 N 0.45 1.07 -0.04 1.22 -0.73 -1.03 0.05 115.58 116.57 1nf4 h ASN 32 Ca 0.05 -0.04 -0.16 0.00 1.87 0.00 0.00 56.30 58.02 1nf4 h ASN 32 Cb 0.84 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 39.16 1nf4 h ASN 32 CO 0.07 0.79 -0.54 1.56 -0.37 0.00 0.00 177.43 178.94 1nf4 h GLN 33 N 1.26 0.62 -0.66 6.67 4.20 -1.01 -2.71 115.11 123.46 1nf4 h GLN 33 Ca 0.34 -0.38 0.11 0.00 0.06 0.00 0.00 58.65 58.77 1nf4 h GLN 33 Cb -0.12 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 27.62 1nf4 h GLN 33 CO -0.07 1.00 0.27 1.25 -0.67 0.00 0.00 178.83 180.61 1nf4 h HIS 34 N 0.48 0.47 -0.69 2.96 2.76 0.17 0.92 115.15 122.22 1nf4 h HIS 34 Ca 0.01 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.18 1nf4 h HIS 34 Cb 1.09 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.91 1nf4 h HIS 34 CO 0.05 0.12 0.29 1.88 -1.30 0.00 0.00 177.93 178.96 1nf4 h TYR 35 N 0.45 1.01 0.10 5.26 0.99 -0.80 -0.74 116.97 123.24 1nf4 h TYR 35 Ca 0.34 -0.06 -0.00 0.00 2.00 0.00 0.00 58.73 61.01 1nf4 h TYR 35 Cb 0.44 -0.31 0.00 0.00 1.00 0.00 0.00 36.73 37.86 1nf4 h TYR 35 CO -0.16 0.76 -0.05 0.77 -0.00 0.00 0.00 178.16 179.49 1nf4 h SER 36 N 0.99 -0.11 -0.91 3.88 0.02 -1.04 -0.80 113.55 115.59 1nf4 h SER 36 Ca 0.23 -0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1nf4 h SER 36 Cb 0.17 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.69 1nf4 h SER 36 CO -0.02 0.02 0.60 -0.07 -1.14 0.00 0.00 176.83 176.22 1nf4 h LEU 37 N -0.23 1.04 -0.04 5.07 3.38 -0.56 0.95 115.31 124.90 1nf4 h LEU 37 Ca -0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1nf4 h LEU 37 Cb 0.19 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1nf4 h LEU 37 CO 0.02 0.75 0.00 -0.78 0.09 0.00 0.00 178.44 178.52 1nf4 h ASP 38 N 1.22 0.07 -0.96 -0.43 3.58 -1.09 -1.45 116.42 117.37 1nf4 h ASP 38 Ca 0.34 -0.28 0.19 0.00 0.42 0.00 0.00 57.03 57.70 1nf4 h ASP 38 Cb -0.13 -0.02 -0.09 0.00 1.72 0.00 0.00 39.33 40.82 1nf4 h ASP 38 CO -0.08 0.33 0.61 -0.78 -2.88 0.00 0.00 179.24 176.44 1nf4 h ASP 39 N -0.19 0.64 0.88 2.28 3.58 -0.71 -0.98 116.42 121.92 1nf4 h ASP 39 Ca 0.01 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1nf4 h ASP 39 Cb 0.29 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.29 1nf4 h ASP 39 CO 0.00 0.25 0.00 0.23 -2.88 0.00 0.00 179.24 176.85 1nf4 n MET 40 N -4.64 0.04 -3.39 0.28 2.81 0.29 -4.92 117.12 107.60 1nf4 n MET 40 Ca 0.21 0.04 -0.19 0.00 -1.81 0.00 0.00 57.70 55.95 1nf4 n MET 40 Cb 0.60 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.68 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 -1.48 -5.47 -3.96 7.83 2.03 -0.37 -4.94 116.55 110.18 1nf4 n ASP 41 Ca 0.07 -0.44 -0.41 0.00 0.52 0.00 0.00 54.79 54.53 1nf4 n ASP 41 Cb 0.30 -4.19 -0.01 0.00 -0.72 0.00 0.00 41.12 36.51 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 -4.52 2.80 -0.08 -0.67 0.53 -0.71 -1.78 117.16 112.73 1nf4 n TYR 42 Ca 0.00 -2.97 -0.09 0.00 -1.02 0.00 0.00 57.90 53.82 1nf4 n TYR 42 Cb 0.55 -1.20 -0.03 0.00 -1.03 0.00 0.00 39.34 37.63 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 5.41 -0.41 0.93 2.72 0.00 -1.69 -0.10 103.07 109.92 1nf4 h GLY 43 Ca 0.20 0.45 0.04 0.00 0.00 0.00 0.00 47.33 48.02 1nf4 h GLY 43 CO 1.22 -0.21 0.62 -2.09 0.00 0.00 0.00 176.54 176.09 1nf4 h GLU 44 N -0.33 1.16 -0.45 4.80 4.81 -1.71 0.56 114.58 123.41 1nf4 h GLU 44 Ca 0.14 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.19 1nf4 h GLU 44 Cb 0.56 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1nf4 h GLU 44 CO -0.50 0.77 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.35 1nf4 h LEU 45 N 1.19 0.90 -0.68 1.64 3.38 -1.69 -2.81 115.31 117.24 1nf4 h LEU 45 Ca 0.38 -0.37 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1nf4 h LEU 45 Cb 0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1nf4 h LEU 45 CO -0.12 1.06 -0.06 0.00 0.09 0.00 0.00 178.44 179.41 1nf4 h ALA 46 N 0.87 0.88 0.08 1.53 0.00 -0.16 -2.03 119.26 120.43 1nf4 h ALA 46 Ca 0.11 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1nf4 h ALA 46 Cb 0.68 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1nf4 h ALA 46 CO 0.05 0.65 -0.04 0.00 0.00 0.00 0.00 179.25 179.91 1nf4 h ALA 47 N 1.05 -0.11 -0.27 0.00 0.00 -0.91 -2.32 119.26 116.70 1nf4 h ALA 47 Ca 0.15 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1nf4 h ALA 47 Cb 0.59 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1nf4 h ALA 47 CO 0.04 -0.44 -0.08 -0.91 0.00 0.00 0.00 179.25 177.85 1nf4 h ASN 48 N -0.34 0.41 -0.65 0.00 2.35 -1.49 -1.16 115.58 114.69 1nf4 h ASN 48 Ca -0.01 -0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.58 1nf4 h ASN 48 Cb 0.30 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 1nf4 h ASN 48 CO 0.02 0.54 0.14 -0.03 -1.65 0.00 0.00 177.43 176.45 1nf4 h MET 49 N 0.41 1.05 -0.53 0.81 4.05 -1.26 0.19 114.93 119.65 1nf4 h MET 49 Ca 0.08 -0.26 -0.10 0.00 -0.28 0.00 0.00 59.70 59.15 1nf4 h MET 49 Cb 0.40 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.05 1nf4 h MET 49 CO 0.02 0.95 -0.04 -0.22 0.23 0.00 0.00 176.91 177.85 1nf4 h LYS 50 N 0.97 0.97 -0.96 0.39 3.64 -1.00 -1.58 116.57 119.01 1nf4 h LYS 50 Ca 0.20 -0.33 0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1nf4 h LYS 50 Cb 0.38 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 1nf4 h LYS 50 CO 0.01 1.00 0.64 -0.07 -2.27 0.00 0.00 179.45 178.75 1nf4 h LEU 51 N 0.84 1.10 -0.39 5.20 3.38 -0.85 0.03 115.31 124.62 1nf4 h LEU 51 Ca 0.15 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.91 1nf4 h LEU 51 Cb 0.59 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1nf4 h LEU 51 CO 0.04 0.79 -0.64 0.40 0.09 0.00 0.00 178.44 179.12 1nf4 h ILE 52 N 1.29 1.32 -0.68 1.22 2.04 -0.85 -1.85 117.51 120.01 1nf4 h ILE 52 Ca 0.35 -1.91 0.02 0.00 1.00 0.00 0.00 64.86 64.32 1nf4 h ILE 52 Cb -0.14 1.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 1nf4 h ILE 52 CO -0.08 0.59 0.45 0.00 0.00 0.00 0.00 178.15 179.11 1nf4 h ALA 53 N 0.84 1.55 -0.11 1.87 0.00 -0.58 -1.37 119.26 121.45 1nf4 h ALA 53 Ca -0.01 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1nf4 h ALA 53 Cb 1.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1nf4 h ALA 53 CO 0.12 0.40 -0.50 0.82 0.00 0.00 0.00 179.25 180.10 1nf4 h ILE 54 N 0.88 1.34 -0.62 0.00 2.04 -0.70 0.74 117.51 121.19 1nf4 h ILE 54 Ca 0.26 -1.74 0.06 0.00 1.00 0.00 0.00 64.86 64.43 1nf4 h ILE 54 Cb -0.05 1.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.79 1nf4 h ILE 54 CO -0.06 0.52 0.34 0.44 0.00 0.00 0.00 178.15 179.39 1nf4 h ASP 55 N 0.24 0.49 -0.32 1.72 3.32 -0.48 -1.41 116.42 119.99 1nf4 h ASP 55 Ca 0.01 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 1nf4 h ASP 55 Cb 0.97 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 1nf4 h ASP 55 CO 0.08 0.32 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.50 1nf4 h GLU 56 N 0.63 0.73 -0.74 3.56 4.39 -0.41 -0.73 114.58 122.00 1nf4 h GLU 56 Ca 0.28 -0.23 0.05 0.00 0.34 0.00 0.00 59.36 59.80 1nf4 h GLU 56 Cb 0.18 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.71 1nf4 h GLU 56 CO -0.18 0.80 0.45 0.52 -1.16 0.00 0.00 179.01 179.44 1nf4 h MET 57 N 0.67 0.82 -0.44 2.33 2.86 -0.53 -0.29 114.93 120.35 1nf4 h MET 57 Ca 0.12 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.61 1nf4 h MET 57 Cb 0.54 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1nf4 h MET 57 CO 0.03 0.55 -0.11 -0.09 1.06 0.00 0.00 176.91 178.34 1nf4 h ARG 58 N 0.85 0.80 -0.31 1.72 2.43 -0.50 -1.60 114.38 117.77 1nf4 h ARG 58 Ca 0.32 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1nf4 h ARG 58 Cb 0.11 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1nf4 h ARG 58 CO -0.15 0.88 0.15 0.45 -1.51 0.00 0.00 179.97 179.79 1nf4 h HIS 59 N 0.72 0.44 -0.93 2.20 3.86 -0.77 -0.10 115.15 120.57 1nf4 h HIS 59 Ca 0.12 -0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.36 1nf4 h HIS 59 Cb 0.60 -0.14 -0.06 0.00 1.06 0.00 0.00 27.41 28.88 1nf4 h HIS 59 CO 0.03 0.39 0.61 0.00 0.86 0.00 0.00 177.93 179.82 1nf4 h ALA 60 N 1.00 1.45 -0.18 2.45 0.00 -0.74 -0.42 119.26 122.83 1nf4 h ALA 60 Ca 0.11 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1nf4 h ALA 60 Cb 0.12 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1nf4 h ALA 60 CO -0.01 0.43 -0.24 1.49 0.00 0.00 0.00 179.25 180.92 1nf4 h GLU 61 N 1.11 0.47 -0.67 0.00 4.81 -1.08 -1.67 114.58 117.54 1nf4 h GLU 61 Ca 0.39 -0.27 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1nf4 h GLU 61 Cb 0.12 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1nf4 h GLU 61 CO -0.14 0.86 0.32 -0.91 -0.73 0.00 0.00 179.01 178.41 1nf4 h ASN 62 N 0.12 0.89 -0.52 1.04 2.35 -0.60 0.04 115.58 118.89 1nf4 h ASN 62 Ca 0.02 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 1nf4 h ASN 62 Cb 0.80 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 1nf4 h ASN 62 CO 0.06 0.77 0.29 -0.26 -1.65 0.00 0.00 177.43 176.64 1nf4 h PHE 63 N 0.94 0.71 -0.69 1.19 0.05 -1.07 -2.16 116.94 115.90 1nf4 h PHE 63 Ca 0.23 -0.01 0.02 0.00 3.82 0.00 0.00 57.97 62.02 1nf4 h PHE 63 Cb 0.12 -0.23 -0.04 0.00 2.00 0.00 0.00 35.95 37.81 1nf4 h PHE 63 CO 0.00 0.51 0.45 0.00 -0.18 0.00 0.00 178.31 179.10 1nf4 h ALA 64 N 1.13 0.89 -0.78 2.45 0.00 -0.91 0.43 119.26 122.46 1nf4 h ALA 64 Ca 0.18 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1nf4 h ALA 64 Cb 0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1nf4 h ALA 64 CO -0.03 0.27 0.31 0.93 0.00 0.00 0.00 179.25 180.72 1nf4 h GLU 65 N 0.91 1.18 -0.13 0.00 5.08 -0.81 -1.09 114.58 119.71 1nf4 h GLU 65 Ca 0.26 -0.22 -0.21 0.00 -1.00 0.00 0.00 59.36 58.19 1nf4 h GLU 65 Cb -0.06 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.01 1nf4 h GLU 65 CO -0.07 0.96 -0.77 -0.09 -1.00 0.00 0.00 179.01 178.03 1nf4 h ARG 66 N 1.14 0.68 -0.52 2.33 9.65 -1.03 -1.16 114.38 125.48 1nf4 h ARG 66 Ca 0.26 -0.56 0.07 0.00 -1.10 0.00 0.00 59.98 58.65 1nf4 h ARG 66 Cb 0.22 0.12 -0.06 0.00 -1.39 0.00 0.00 29.97 28.86 1nf4 h ARG 66 CO -0.02 1.17 0.19 0.82 2.80 0.00 0.00 179.97 184.94 1nf4 h ILE 67 N 0.46 0.83 -0.63 1.20 2.04 -0.74 -1.10 117.51 119.57 1nf4 h ILE 67 Ca -0.05 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1nf4 h ILE 67 Cb 1.39 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 1nf4 h ILE 67 CO 0.15 0.07 0.34 0.11 0.00 0.00 0.00 178.15 178.82 1nf4 h LYS 68 N 0.37 0.88 0.00 2.37 1.79 -0.94 0.55 116.57 121.60 1nf4 h LYS 68 Ca 0.25 -0.10 -0.02 0.00 -2.18 0.00 0.00 60.65 58.60 1nf4 h LYS 68 Cb 0.27 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1nf4 h LYS 68 CO -0.25 0.67 -0.09 0.93 -1.08 0.00 0.00 179.45 179.63 1nf4 h GLU 69 N 0.86 0.00 -0.01 3.15 5.08 -0.79 -1.17 114.58 121.70 1nf4 h GLU 69 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1nf4 h GLU 69 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1nf4 h GLU 69 CO -0.04 0.09 -0.07 1.28 -1.00 0.00 0.00 179.01 179.28 1nf4 n LEU 70 N -3.77 1.39 0.00 1.33 4.77 -0.45 -4.93 117.00 115.34 1nf4 n LEU 70 Ca -0.02 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 1nf4 n LEU 70 Cb 0.20 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1nf4 n LEU 70 CO 0.30 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1nf4 n GLY 71 N 1.22 0.67 1.95 -0.72 0.00 -0.44 -4.92 105.19 102.95 1nf4 n GLY 71 Ca 0.17 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.61 1.18 3.22 -0.02 0.00 0.09 -4.98 105.19 102.07 1nf4 n GLY 72 Ca 0.00 -2.06 -0.33 0.00 0.00 0.00 0.00 46.02 43.63 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 -3.58 3.14 0.09 1.61 2.56 -1.26 -4.28 118.70 116.98 1nf4 s GLU 73 Ca 0.32 -0.79 -0.31 0.00 0.00 0.00 0.00 54.97 54.20 1nf4 s GLU 73 Cb -0.02 -2.57 -0.07 0.00 2.00 0.00 0.00 34.13 33.47 1nf4 s GLU 73 CO 0.21 -0.02 1.36 -2.14 -0.56 0.00 0.00 175.26 174.12 1nf4 s PRO 74 N 0.87 4.33 0.65 4.30 0.02 -1.26 -5.00 135.00 138.91 1nf4 s PRO 74 Ca -0.05 2.01 -0.16 0.00 0.02 0.00 0.00 61.00 62.82 1nf4 s PRO 74 Cb -0.15 -3.32 -0.00 0.00 0.02 0.00 0.00 34.50 31.04 1nf4 s PRO 74 CO -0.02 -0.43 1.15 -0.08 -0.33 0.00 0.00 177.00 177.29 1nf4 s THR 75 N 1.33 2.92 -0.14 0.99 -1.32 -1.26 -4.96 115.64 113.20 1nf4 s THR 75 Ca 0.64 0.47 0.10 0.00 -1.21 0.00 0.00 61.69 61.69 1nf4 s THR 75 Cb -0.35 -3.04 0.19 0.00 -1.51 0.00 0.00 72.50 67.79 1nf4 s THR 75 CO 0.29 -0.22 1.12 0.35 -2.21 0.00 0.00 174.62 173.95 1nf4 n THR 76 N -2.23 1.47 -3.62 5.08 -2.24 -1.26 -4.91 114.28 106.57 1nf4 n THR 76 Ca 0.12 -1.60 -0.36 0.00 -2.27 0.00 0.00 64.05 59.93 1nf4 n THR 76 Cb 0.51 0.13 -0.09 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.93 4.14 0.23 -0.78 -0.21 -1.26 -5.10 119.66 114.75 1nf4 s GLN 77 Ca 0.18 -0.15 -0.17 0.00 0.02 0.00 0.00 55.36 55.25 1nf4 s GLN 77 Cb 0.15 -3.50 -0.08 0.00 1.00 0.00 0.00 33.01 30.59 1nf4 s GLN 77 CO 0.03 0.13 0.68 -1.59 -2.12 0.00 0.00 175.29 172.42 1nf4 s LYS 78 N 0.85 4.12 0.04 2.91 -2.85 -1.26 -4.29 119.74 119.27 1nf4 s LYS 78 Ca 0.10 0.72 -0.29 0.00 -1.00 0.00 0.00 55.97 55.51 1nf4 s LYS 78 Cb -0.13 -2.79 -0.04 0.00 -2.06 0.00 0.00 37.83 32.81 1nf4 s LYS 78 CO 0.03 0.36 0.92 -2.00 0.10 0.00 0.00 175.35 174.76 1nf4 s GLU 79 N -2.22 4.59 1.41 1.78 -6.30 0.63 -4.90 118.70 113.71 1nf4 s GLU 79 Ca 0.44 1.34 0.00 0.00 -2.50 0.00 0.00 54.97 54.25 1nf4 s GLU 79 Cb -0.15 -3.41 0.00 0.00 0.00 0.00 0.00 34.13 30.57 1nf4 s GLU 79 CO 0.20 0.11 0.00 0.41 0.02 0.00 0.00 175.26 176.00 1nf4 n GLY 80 N 2.60 -1.50 3.45 -1.50 0.00 -1.26 -4.67 105.19 102.31 1nf4 n GLY 80 Ca 0.03 -1.19 -0.26 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.21 1.62 -0.09 1.61 -0.14 -1.26 -5.01 119.74 116.26 1nf4 s LYS 81 Ca 0.00 -1.63 -0.24 0.00 -1.36 0.00 0.00 55.97 52.74 1nf4 s LYS 81 Cb 0.00 -1.82 -0.03 0.00 -1.68 0.00 0.00 37.83 34.29 1nf4 s LYS 81 CO 0.00 0.37 0.72 0.08 -0.76 0.00 0.00 175.35 175.76 1nf4 s VAL 82 N -2.06 5.02 -0.23 3.17 1.01 -1.26 -5.04 120.40 121.00 1nf4 s VAL 82 Ca 0.25 1.47 -0.14 0.00 0.00 0.00 0.00 61.98 63.56 1nf4 s VAL 82 Cb -0.07 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1nf4 s VAL 82 CO 0.12 0.21 0.33 -0.69 0.00 0.00 0.00 175.10 175.07 1nf4 s VAL 83 N 1.08 5.23 0.23 2.92 1.01 -1.26 -5.08 120.40 124.55 1nf4 s VAL 83 Ca 0.37 0.53 0.07 0.00 0.00 0.00 0.00 61.98 62.96 1nf4 s VAL 83 Cb -0.18 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1nf4 s VAL 83 CO 0.17 0.25 0.16 0.42 0.00 0.00 0.00 175.10 176.10 1nf4 s THR 84 N 1.44 4.35 -0.78 3.92 -4.23 -1.26 -4.63 115.64 114.45 1nf4 s THR 84 Ca 0.15 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 59.28 1nf4 s THR 84 Cb -0.15 -3.32 0.00 0.00 1.34 0.00 0.00 72.50 70.38 1nf4 s THR 84 CO 0.08 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 1nf4 n GLY 85 N -0.95 0.79 3.71 3.99 0.00 -1.26 -4.98 105.19 106.48 1nf4 n GLY 85 Ca -0.08 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.98 4.41 0.90 1.61 -0.21 -1.26 -5.01 119.66 117.13 1nf4 s GLN 86 Ca 0.00 1.76 -0.11 0.00 0.02 0.00 0.00 55.36 57.03 1nf4 s GLN 86 Cb 0.00 -3.39 0.14 0.00 1.00 0.00 0.00 33.01 30.75 1nf4 s GLN 86 CO 0.00 -0.30 1.11 0.00 -2.12 0.00 0.00 175.29 173.98 1nf4 s ALA 87 N 1.30 1.46 0.14 6.09 0.00 -1.26 -4.67 121.76 124.81 1nf4 s ALA 87 Ca 0.58 0.31 -0.21 0.00 0.00 0.00 0.00 51.96 52.64 1nf4 s ALA 87 Cb -0.29 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.49 1nf4 s ALA 87 CO 0.28 -2.56 1.67 0.28 0.00 0.00 0.00 175.76 175.43 1nf4 h VAL 88 N -1.71 0.63 -0.76 0.00 2.07 -1.99 0.10 116.25 114.58 1nf4 h VAL 88 Ca -0.46 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.08 1nf4 h VAL 88 Cb 1.27 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 1nf4 h VAL 88 CO 0.47 0.00 0.50 -0.65 0.02 0.00 0.00 177.57 177.92 1nf4 h PRO 89 N -0.13 0.95 -0.48 1.57 0.11 -1.98 -1.68 132.00 130.36 1nf4 h PRO 89 Ca 0.11 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.05 1nf4 h PRO 89 Cb 0.29 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.17 1nf4 h PRO 89 CO -0.26 0.63 -0.15 0.28 -0.21 0.00 0.00 178.00 178.29 1nf4 h VAL 90 N 0.98 1.27 -0.03 3.15 2.07 -1.69 -2.22 116.25 119.77 1nf4 h VAL 90 Ca 0.29 -1.28 0.03 0.00 0.82 0.00 0.00 66.70 66.56 1nf4 h VAL 90 Cb -0.03 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1nf4 h VAL 90 CO -0.07 0.44 -0.22 0.40 0.02 0.00 0.00 177.57 178.14 1nf4 h ILE 91 N 0.81 0.48 0.00 4.57 2.04 0.13 -1.07 117.51 124.47 1nf4 h ILE 91 Ca 0.12 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.82 1nf4 h ILE 91 Cb 0.69 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1nf4 h ILE 91 CO 0.05 0.00 -0.79 1.88 0.00 0.00 0.00 178.15 179.29 1nf4 h TYR 92 N -0.33 0.00 -0.33 1.37 -1.99 -1.49 -1.56 116.97 112.64 1nf4 h TYR 92 Ca 0.07 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.68 1nf4 h TYR 92 Cb 0.42 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.15 1nf4 h TYR 92 CO -0.27 0.79 -0.27 1.49 -0.00 0.00 0.00 178.16 179.90 1nf4 h GLU 93 N 0.00 0.77 -0.23 4.88 4.81 -1.30 -1.93 114.58 121.57 1nf4 h GLU 93 Ca -0.01 -0.38 -0.19 0.00 -0.13 0.00 0.00 59.36 58.65 1nf4 h GLU 93 Cb 1.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.83 1nf4 h GLU 93 CO 0.10 1.00 -0.61 0.66 -0.73 0.00 0.00 179.01 179.44 1nf4 h SER 94 N 0.54 0.88 -0.48 1.04 4.64 -1.15 -1.46 113.55 117.56 1nf4 h SER 94 Ca 0.06 -0.50 -0.10 0.00 -0.47 0.00 0.00 61.79 60.79 1nf4 h SER 94 Cb 0.83 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 1nf4 h SER 94 CO 0.07 1.28 -0.08 0.44 -0.87 0.00 0.00 176.83 177.66 1nf4 h ASP 95 N 0.58 0.90 0.01 4.97 3.32 -1.31 0.50 116.42 125.40 1nf4 h ASP 95 Ca -0.00 -0.35 0.03 0.00 0.02 0.00 0.00 57.03 56.73 1nf4 h ASP 95 Cb 1.21 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.47 1nf4 h ASP 95 CO 0.13 1.04 -0.21 0.00 -1.72 0.00 0.00 179.24 178.47 1nf4 h ALA 96 N 0.89 -0.28 -0.87 3.45 0.00 -1.35 0.39 119.26 121.49 1nf4 h ALA 96 Ca 0.13 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.14 1nf4 h ALA 96 Cb 0.63 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 1nf4 h ALA 96 CO 0.04 -0.71 0.51 -0.44 0.00 0.00 0.00 179.25 178.64 1nf4 h ASP 97 N -0.35 0.72 -0.39 0.00 5.19 -0.74 -2.39 116.42 118.47 1nf4 h ASP 97 Ca 0.06 0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.48 1nf4 h ASP 97 Cb 0.42 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.83 1nf4 h ASP 97 CO -0.19 0.40 0.08 -0.61 -3.12 0.00 0.00 179.24 175.80 1nf4 h GLN 98 N 0.83 0.63 -0.52 3.56 4.15 0.69 -2.33 115.11 122.12 1nf4 h GLN 98 Ca 0.43 -0.16 -0.04 0.00 0.77 0.00 0.00 58.65 59.65 1nf4 h GLN 98 Cb 0.42 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 1nf4 h GLN 98 CO -0.26 0.67 0.17 0.93 -1.93 0.00 0.00 178.83 178.41 1nf4 h GLU 99 N 0.49 0.76 -0.15 1.69 4.39 -0.45 0.61 114.58 121.92 1nf4 h GLU 99 Ca 0.12 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1nf4 h GLU 99 Cb 0.33 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1nf4 h GLU 99 CO 0.00 0.66 0.06 0.22 -1.16 0.00 0.00 179.01 178.79 1nf4 h ASP 100 N 0.75 0.21 -0.14 1.42 1.82 -1.40 0.29 116.42 119.38 1nf4 h ASP 100 Ca 0.17 -0.18 -0.09 0.00 -0.39 0.00 0.00 57.03 56.55 1nf4 h ASP 100 Cb 0.21 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.15 1nf4 h ASP 100 CO -0.01 0.33 -0.19 0.00 -1.61 0.00 0.00 179.24 177.76 1nf4 h ALA 101 N 0.89 1.11 -0.29 -0.78 0.00 -0.95 -0.83 119.26 118.42 1nf4 h ALA 101 Ca 0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1nf4 h ALA 101 Cb 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1nf4 h ALA 101 CO -0.00 0.55 0.11 1.15 0.00 0.00 0.00 179.25 181.06 1nf4 h THR 102 N 0.50 1.18 -0.75 0.00 2.02 -0.68 -0.54 112.91 114.64 1nf4 h THR 102 Ca 0.08 -0.57 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 1nf4 h THR 102 Cb 0.61 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 1nf4 h THR 102 CO 0.04 0.19 0.37 0.40 0.37 0.00 0.00 175.52 176.89 1nf4 h ILE 103 N 0.31 1.24 -0.38 3.11 2.04 -0.70 0.73 117.51 123.86 1nf4 h ILE 103 Ca 0.10 -0.66 0.04 0.00 1.00 0.00 0.00 64.86 65.34 1nf4 h ILE 103 Cb 0.20 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 1nf4 h ILE 103 CO -0.01 0.28 0.15 -0.33 0.00 0.00 0.00 178.15 178.25 1nf4 h GLU 104 N 1.05 0.31 -0.32 2.37 4.39 -0.96 -0.15 114.58 121.28 1nf4 h GLU 104 Ca 0.26 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.86 1nf4 h GLU 104 Cb 0.11 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1nf4 h GLU 104 CO -0.03 0.21 -0.10 0.00 -1.16 0.00 0.00 179.01 177.93 1nf4 h ALA 105 N 1.23 0.44 0.00 3.43 0.00 -0.70 -2.63 119.26 121.03 1nf4 h ALA 105 Ca 0.17 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1nf4 h ALA 105 Cb 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1nf4 h ALA 105 CO -0.16 0.29 -0.28 1.88 0.00 0.00 0.00 179.25 180.98 1nf4 h TYR 106 N 0.40 0.00 -0.44 0.00 -1.99 -0.73 -0.61 116.97 113.60 1nf4 h TYR 106 Ca 0.08 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.73 1nf4 h TYR 106 Cb 0.60 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.31 1nf4 h TYR 106 CO 0.05 0.28 -0.04 0.77 -0.00 0.00 0.00 178.16 179.23 1nf4 h SER 107 N 0.00 0.71 -0.47 3.88 0.02 -0.73 0.17 113.55 117.13 1nf4 h SER 107 Ca -0.00 -0.18 -0.14 0.00 -0.84 0.00 0.00 61.79 60.63 1nf4 h SER 107 Cb 0.49 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1nf4 h SER 107 CO 0.04 0.80 -0.24 1.56 -1.14 0.00 0.00 176.83 177.85 1nf4 h GLN 108 N 0.68 1.00 -0.56 3.45 4.20 -0.94 -2.68 115.11 120.26 1nf4 h GLN 108 Ca 0.13 -0.44 -0.09 0.00 0.06 0.00 0.00 58.65 58.32 1nf4 h GLN 108 Cb 0.48 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 1nf4 h GLN 108 CO 0.02 1.11 0.02 0.74 -0.67 0.00 0.00 178.83 180.05 1nf4 h PHE 109 N 0.85 1.06 -0.88 2.96 0.05 -0.76 -2.32 116.94 117.90 1nf4 h PHE 109 Ca 0.10 -0.18 0.09 0.00 3.82 0.00 0.00 57.97 61.81 1nf4 h PHE 109 Cb 0.82 -0.28 -0.07 0.00 2.00 0.00 0.00 35.95 38.42 1nf4 h PHE 109 CO 0.05 0.96 0.53 1.25 -0.18 0.00 0.00 178.31 180.92 1nf4 h LEU 110 N 0.86 0.78 -0.30 1.54 6.46 -0.63 -1.32 115.31 122.70 1nf4 h LEU 110 Ca 0.16 0.04 0.03 0.00 -0.12 0.00 0.00 57.88 57.99 1nf4 h LEU 110 Cb 0.52 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.31 1nf4 h LEU 110 CO 0.03 0.45 0.13 0.50 -0.62 0.00 0.00 178.44 178.92 1nf4 h LYS 111 N 0.89 0.27 -0.59 1.25 3.64 -1.22 -1.93 116.57 118.87 1nf4 h LYS 111 Ca 0.42 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.79 1nf4 h LYS 111 Cb 0.34 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 1nf4 h LYS 111 CO -0.23 0.18 0.38 0.28 -2.27 0.00 0.00 179.45 177.79 1nf4 h VAL 112 N 0.28 1.13 -0.61 2.00 2.07 -0.79 -0.92 116.25 119.41 1nf4 h VAL 112 Ca 0.13 -0.27 0.07 0.00 0.82 0.00 0.00 66.70 67.46 1nf4 h VAL 112 Cb 0.08 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 30.07 1nf4 h VAL 112 CO -0.11 0.14 0.28 0.00 0.02 0.00 0.00 177.57 177.90 1nf4 h LYS 114 N 0.52 1.09 -0.45 0.00 1.57 -0.91 0.27 116.57 118.66 1nf4 h LYS 114 Ca 0.29 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1nf4 h LYS 114 Cb 0.27 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1nf4 h LYS 114 CO -0.23 1.01 0.24 0.93 -0.57 0.00 0.00 179.45 180.83 1nf4 h GLU 115 N 1.00 0.62 -0.17 3.15 5.08 -0.21 -0.49 114.58 123.57 1nf4 h GLU 115 Ca 0.20 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1nf4 h GLU 115 Cb 0.46 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1nf4 h GLU 115 CO 0.02 0.46 0.00 1.04 -1.00 0.00 0.00 179.01 179.52 1nf4 n GLN 116 N -4.42 1.56 -3.56 2.33 1.13 0.17 -4.90 117.38 109.69 1nf4 n GLN 116 Ca 0.04 -0.86 -0.23 0.00 -1.94 0.00 0.00 57.00 54.01 1nf4 n GLN 116 Cb 0.10 -1.31 0.08 0.00 0.11 0.00 0.00 30.24 29.22 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 1.00 -0.50 3.05 1.08 0.00 -0.19 -4.92 105.19 104.72 1nf4 n GLY 117 Ca 0.13 0.22 -0.34 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.48 5.29 0.14 1.61 -1.08 0.89 -4.92 116.67 115.12 1nf4 s ASP 118 Ca 0.49 -3.27 -0.16 0.00 -0.52 0.00 0.00 52.55 49.09 1nf4 s ASP 118 Cb -0.21 -1.82 0.01 0.00 -1.46 0.00 0.00 42.92 39.44 1nf4 s ASP 118 CO 0.72 -0.26 1.74 0.40 0.52 0.00 0.00 175.17 178.29 1nf4 h ILE 119 N 4.82 1.16 -0.72 4.11 1.08 -1.93 -0.67 117.51 125.36 1nf4 h ILE 119 Ca 0.05 -0.44 -0.04 0.00 -0.39 0.00 0.00 64.86 64.04 1nf4 h ILE 119 Cb 0.88 0.69 -0.03 0.00 -3.07 0.00 0.00 36.82 35.29 1nf4 h ILE 119 CO 0.75 0.17 0.30 0.58 -0.69 0.00 0.00 178.15 179.27 1nf4 h VAL 120 N 0.54 1.25 -0.09 1.67 2.07 -1.97 -0.43 116.25 119.28 1nf4 h VAL 120 Ca 0.15 -0.75 -0.21 0.00 0.82 0.00 0.00 66.70 66.70 1nf4 h VAL 120 Cb 0.08 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1nf4 h VAL 120 CO -0.02 0.31 -0.80 0.74 0.02 0.00 0.00 177.57 177.81 1nf4 h THR 121 N 1.02 1.34 -0.84 2.57 2.02 -1.94 -2.00 112.91 115.09 1nf4 h THR 121 Ca 0.24 -2.13 0.04 0.00 0.77 0.00 0.00 66.41 65.33 1nf4 h THR 121 Cb 0.19 2.13 -0.05 0.00 -1.74 0.00 0.00 68.15 68.67 1nf4 h THR 121 CO -0.02 0.65 0.53 0.00 0.37 0.00 0.00 175.52 177.05 1nf4 h ALA 122 N 0.73 1.12 -0.24 6.16 0.00 -0.84 -1.54 119.26 124.66 1nf4 h ALA 122 Ca -0.05 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1nf4 h ALA 122 Cb 1.41 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1nf4 h ALA 122 CO 0.15 0.34 -0.29 -0.09 0.00 0.00 0.00 179.25 179.35 1nf4 h ARG 123 N 1.02 0.47 0.22 0.00 9.65 -0.91 -1.56 114.38 123.26 1nf4 h ARG 123 Ca 0.34 -0.19 -0.01 0.00 -1.10 0.00 0.00 59.98 59.03 1nf4 h ARG 123 Cb 0.06 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.62 1nf4 h ARG 123 CO -0.13 0.72 -0.12 1.25 2.80 0.00 0.00 179.97 184.49 1nf4 h LEU 124 N 0.41 -0.29 -1.14 3.80 5.85 -0.86 -1.43 115.31 121.66 1nf4 h LEU 124 Ca 0.05 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.87 1nf4 h LEU 124 Cb 0.72 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.77 1nf4 h LEU 124 CO 0.06 -0.20 0.60 -0.26 -0.34 0.00 0.00 178.44 178.29 1nf4 h PHE 125 N -0.32 1.05 -0.05 1.25 -1.00 -1.13 -1.70 116.94 115.04 1nf4 h PHE 125 Ca -0.02 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.79 1nf4 h PHE 125 Cb 0.26 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 39.46 1nf4 h PHE 125 CO -0.08 0.52 -0.02 1.49 -1.61 0.00 0.00 178.31 178.61 1nf4 h GLU 126 N 1.00 -0.01 -0.38 1.51 4.81 -0.90 0.57 114.58 121.18 1nf4 h GLU 126 Ca 0.41 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.56 1nf4 h GLU 126 Cb 0.28 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1nf4 h GLU 126 CO -0.17 -0.01 -0.08 0.00 -0.73 0.00 0.00 179.01 178.03 1nf4 h ARG 127 N -0.01 0.73 -0.55 1.92 3.08 -0.95 -2.65 114.38 115.95 1nf4 h ARG 127 Ca 0.03 -0.27 -0.09 0.00 0.07 0.00 0.00 59.98 59.71 1nf4 h ARG 127 Cb 0.05 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1nf4 h ARG 127 CO -0.06 0.87 -0.02 0.82 -1.07 0.00 0.00 179.97 180.51 1nf4 h ILE 128 N 0.54 1.26 -0.75 2.04 2.04 -1.22 -2.23 117.51 119.18 1nf4 h ILE 128 Ca 0.10 -1.12 0.04 0.00 1.00 0.00 0.00 64.86 64.88 1nf4 h ILE 128 Cb 0.59 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 1nf4 h ILE 128 CO 0.03 0.40 0.50 0.40 0.00 0.00 0.00 178.15 179.48 1nf4 h ILE 129 N 0.87 1.09 -0.04 -0.67 2.04 -0.72 0.12 117.51 120.19 1nf4 h ILE 129 Ca 0.16 -0.30 -0.09 0.00 1.00 0.00 0.00 64.86 65.62 1nf4 h ILE 129 Cb 0.54 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1nf4 h ILE 129 CO 0.03 0.16 -0.41 -0.33 0.00 0.00 0.00 178.15 177.60 1nf4 h GLU 130 N 0.88 0.09 -0.12 2.37 5.08 -1.05 -1.81 114.58 120.02 1nf4 h GLU 130 Ca 0.31 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.48 1nf4 h GLU 130 Cb 0.12 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1nf4 h GLU 130 CO -0.09 0.49 -0.57 0.93 -1.00 0.00 0.00 179.01 178.77 1nf4 h GLU 131 N 0.08 0.38 -0.33 2.33 5.08 -0.68 -2.75 114.58 118.70 1nf4 h GLU 131 Ca 0.01 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.05 1nf4 h GLU 131 Cb 0.77 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1nf4 h GLU 131 CO 0.06 0.85 -0.08 0.93 -1.00 0.00 0.00 179.01 179.76 1nf4 h GLU 132 N 0.29 0.55 -0.61 2.33 4.39 -0.78 -2.31 114.58 118.44 1nf4 h GLU 132 Ca 0.00 -0.15 -0.06 0.00 0.34 0.00 0.00 59.36 59.49 1nf4 h GLU 132 Cb 1.09 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.65 1nf4 h GLU 132 CO 0.10 0.63 0.13 0.37 -1.16 0.00 0.00 179.01 179.08 1nf4 h GLN 133 N 0.51 0.96 -0.49 2.33 5.75 -1.14 0.51 115.11 123.54 1nf4 h GLN 133 Ca 0.10 -0.22 -0.09 0.00 -0.15 0.00 0.00 58.65 58.29 1nf4 h GLN 133 Cb 0.45 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.85 1nf4 h GLN 133 CO 0.02 0.87 -0.04 0.00 -2.65 0.00 0.00 178.83 177.03 1nf4 h ALA 134 N 1.22 1.01 -0.06 3.38 0.00 -1.18 -1.66 119.26 121.97 1nf4 h ALA 134 Ca 0.19 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1nf4 h ALA 134 Cb 0.35 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1nf4 h ALA 134 CO 0.00 0.60 0.04 0.45 0.00 0.00 0.00 179.25 180.34 1nf4 h HIS 135 N 0.77 0.09 -0.44 0.00 3.86 -0.89 -1.88 115.15 116.67 1nf4 h HIS 135 Ca 0.14 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.39 1nf4 h HIS 135 Cb 0.52 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.92 1nf4 h HIS 135 CO 0.03 0.12 0.20 1.25 0.86 0.00 0.00 177.93 180.39 1nf4 h LEU 136 N 0.03 0.26 -0.74 2.43 5.85 -0.71 -0.29 115.31 122.15 1nf4 h LEU 136 Ca 0.02 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1nf4 h LEU 136 Cb 0.06 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1nf4 h LEU 136 CO -0.00 0.19 0.35 0.74 -0.34 0.00 0.00 178.44 179.38 1nf4 h THR 137 N 0.40 1.24 0.19 1.05 2.02 -1.22 0.11 112.91 116.69 1nf4 h THR 137 Ca 0.20 -0.68 0.01 0.00 0.77 0.00 0.00 66.41 66.71 1nf4 h THR 137 Cb 0.13 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1nf4 h THR 137 CO -0.16 0.28 -0.21 0.22 0.37 0.00 0.00 175.52 176.03 1nf4 h TYR 138 N 1.03 -0.54 -0.51 3.16 3.20 -0.81 -1.40 116.97 121.10 1nf4 h TYR 138 Ca 0.25 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.01 1nf4 h TYR 138 Cb 0.12 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 1nf4 h TYR 138 CO 0.01 -0.30 -0.13 1.88 -1.64 0.00 0.00 178.16 177.98 1nf4 h TYR 139 N -0.43 1.09 -0.80 -3.82 0.99 -0.58 -2.19 116.97 111.23 1nf4 h TYR 139 Ca 0.00 -0.23 0.02 0.00 2.00 0.00 0.00 58.73 60.52 1nf4 h TYR 139 Cb 0.41 -0.27 -0.04 0.00 1.00 0.00 0.00 36.73 37.83 1nf4 h TYR 139 CO -0.16 1.03 0.52 0.93 -0.00 0.00 0.00 178.16 180.48 1nf4 h GLU 140 N 0.87 1.03 -0.17 4.88 5.08 -0.72 -0.51 114.58 125.03 1nf4 h GLU 140 Ca 0.13 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1nf4 h GLU 140 Cb 0.68 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1nf4 h GLU 140 CO 0.05 0.68 0.04 -0.91 -1.00 0.00 0.00 179.01 177.87 1nf4 h ASN 141 N 1.06 0.26 -0.19 1.42 2.35 -0.98 0.24 115.58 119.73 1nf4 h ASN 141 Ca 0.30 -0.24 0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1nf4 h ASN 141 Cb -0.08 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1nf4 h ASN 141 CO -0.08 0.43 0.06 0.40 -1.65 0.00 0.00 177.43 176.60 1nf4 h ILE 142 N 0.08 0.95 -0.26 2.81 1.08 -1.24 -1.84 117.51 119.08 1nf4 h ILE 142 Ca 0.05 -0.05 0.06 0.00 -0.39 0.00 0.00 64.86 64.53 1nf4 h ILE 142 Cb 0.28 0.78 -0.06 0.00 -3.07 0.00 0.00 36.82 34.75 1nf4 h ILE 142 CO 0.00 0.03 -0.15 1.23 -0.69 0.00 0.00 178.15 178.57 1nf4 h GLY 143 N 0.16 0.05 0.72 5.37 0.00 -0.89 -1.40 103.07 107.07 1nf4 h GLY 143 Ca 0.08 0.18 0.08 0.00 0.00 0.00 0.00 47.33 47.68 1nf4 h GLY 143 CO -0.09 -0.16 0.61 0.23 0.00 0.00 0.00 176.54 177.14 1nf4 h SER 144 N -0.12 0.93 -0.04 0.19 0.87 -0.26 -1.01 113.55 114.11 1nf4 h SER 144 Ca 0.14 0.02 -0.18 0.00 -1.23 0.00 0.00 61.79 60.54 1nf4 h SER 144 Cb 0.33 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1nf4 h SER 144 CO -0.34 0.57 -0.61 0.45 -0.53 0.00 0.00 176.83 176.37 1nf4 h HIS 145 N 1.04 0.83 -0.30 2.24 -0.00 -0.47 -2.37 115.15 116.12 1nf4 h HIS 145 Ca 0.43 -0.32 -0.09 0.00 -0.00 0.00 0.00 60.37 60.39 1nf4 h HIS 145 Cb 0.29 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.54 1nf4 h HIS 145 CO -0.00 1.09 -0.21 0.82 -0.00 0.00 0.00 177.93 179.64 1nf4 h ILE 146 N 0.48 1.26 0.04 2.45 2.04 -0.63 0.07 117.51 123.23 1nf4 h ILE 146 Ca -0.01 -1.21 -0.25 0.00 1.00 0.00 0.00 64.86 64.39 1nf4 h ILE 146 Cb 1.19 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 1nf4 h ILE 146 CO 0.12 0.39 -1.21 0.07 0.00 0.00 0.00 178.15 177.52 1nf4 h LYS 147 N 0.49 0.10 0.00 2.37 2.10 -1.19 -3.03 116.57 117.40 1nf4 h LYS 147 Ca 0.08 -0.16 -0.11 0.00 -2.00 0.00 0.00 60.65 58.45 1nf4 h LYS 147 Cb 0.63 0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 32.00 1nf4 h LYS 147 CO 0.04 1.00 -1.38 0.09 -2.00 0.00 0.00 179.45 177.21 1nf4 n ASN 148 N -3.37 0.75 0.00 7.07 4.13 -0.90 -4.73 115.26 118.22 1nf4 n ASN 148 Ca -0.06 0.32 0.00 0.00 1.68 0.00 0.00 54.58 56.52 1nf4 n ASN 148 Cb 0.99 0.43 0.00 0.00 -1.54 0.00 0.00 39.78 39.65 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 -2.77 0.00 0.00 3.41 4.77 0.01 -5.08 117.00 117.34 1nf4 n LEU 149 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1nf4 n LEU 149 Cb 0.74 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 1nf4 n LEU 149 CO 0.42 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1nf4 n GLY 150 N 2.35 2.68 0.19 -0.72 0.00 -1.15 -4.12 105.19 104.42 1nf4 n GLY 150 Ca 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 46.02 45.68 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 0.44 -0.12 1.61 5.19 -1.94 -2.96 116.42 118.64 1nf4 h ASP 151 Ca 0.00 -0.24 -0.08 0.00 -0.62 0.00 0.00 57.03 56.09 1nf4 h ASP 151 Cb 0.00 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.37 1nf4 h ASP 151 CO 0.00 0.93 -0.15 0.74 -3.12 0.00 0.00 179.24 177.63 1nf4 h THR 152 N 0.29 1.24 -0.06 0.35 2.02 -2.00 -2.78 112.91 111.96 1nf4 h THR 152 Ca -0.00 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.09 1nf4 h THR 152 Cb 1.11 1.19 -0.00 0.00 -1.74 0.00 0.00 68.15 68.71 1nf4 h THR 152 CO 0.10 0.35 -0.01 0.22 0.37 0.00 0.00 175.52 176.54 1nf4 h TYR 153 N 0.45 0.14 0.00 3.16 3.20 -1.77 -3.21 116.97 118.94 1nf4 h TYR 153 Ca 0.08 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.83 1nf4 h TYR 153 Cb 0.53 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1nf4 h TYR 153 CO 0.02 0.45 -0.45 -0.07 -1.64 0.00 0.00 178.16 176.47 1nf4 h LEU 154 N -0.21 0.00 -2.02 2.82 3.38 -1.51 -2.85 115.31 114.93 1nf4 h LEU 154 Ca 0.02 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.04 1nf4 h LEU 154 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1nf4 h LEU 154 CO 0.01 0.45 0.14 0.00 0.09 0.00 0.00 178.44 179.12 1nf4 h ALA 155 N 1.55 2.16 -0.09 1.53 0.00 -1.49 0.27 119.26 123.19 1nf4 h ALA 155 Ca -0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1nf4 h ALA 155 Cb 0.89 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1nf4 h ALA 155 CO 0.06 -0.24 -0.46 -0.22 0.00 0.00 0.00 179.25 178.39 1nf4 h LYS 156 N 0.00 0.23 0.00 0.00 3.64 -1.55 -3.19 116.57 115.70 1nf4 h LYS 156 Ca 0.09 -0.12 -0.14 0.00 -1.27 0.00 0.00 60.65 59.21 1nf4 h LYS 156 Cb 0.37 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1nf4 h LYS 156 CO -0.00 0.65 -0.81 0.82 -2.27 0.00 0.00 179.45 177.83 1nf4 h ILE 157 N 0.18 0.95 -2.07 2.00 1.08 -0.62 -3.45 117.51 115.59 1nf4 h ILE 157 Ca 0.01 -2.42 -0.61 0.00 -0.39 0.00 0.00 64.86 61.45 1nf4 h ILE 157 Cb 0.89 2.43 0.03 0.00 -3.07 0.00 0.00 36.82 37.09 1nf4 h ILE 157 CO 0.07 0.54 0.99 0.00 -0.69 0.00 0.00 178.15 179.06 1nf4 n ALA 158 N -2.29 0.91 -0.94 1.87 0.00 -0.48 -2.05 120.51 117.53 1nf4 n ALA 158 Ca -0.01 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1nf4 n ALA 158 Cb 0.80 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 4.06 0.58 3.79 0.00 0.00 -0.73 -4.99 105.19 107.90 1nf4 n GLY 159 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.22 3.13 0.53 2.61 -4.23 -0.87 -4.93 115.64 109.66 1nf4 s THR 160 Ca 0.00 0.37 -0.22 0.00 -1.18 0.00 0.00 61.69 60.65 1nf4 s THR 160 Cb 0.00 -3.07 -0.05 0.00 1.34 0.00 0.00 72.50 70.72 1nf4 s THR 160 CO 0.00 -0.48 1.35 -2.84 -0.54 0.00 0.00 174.62 172.11 1nf4 s PRO 161 N -5.11 3.22 0.00 3.99 0.02 -1.26 -3.83 135.00 132.03 1nf4 s PRO 161 Ca 0.61 2.22 0.05 0.00 0.02 0.00 0.00 61.00 63.90 1nf4 s PRO 161 Cb -0.15 -2.30 0.07 0.00 0.02 0.00 0.00 34.50 32.14 1nf4 s PRO 161 CO 0.55 -1.12 0.78 -1.13 -0.33 0.00 0.00 177.00 175.75 1nf4 n SER 162 N -0.93 1.68 -4.77 2.53 3.41 -1.26 -2.75 113.62 111.54 1nf4 n SER 162 Ca 0.10 -1.41 -0.39 0.00 -0.26 0.00 0.00 58.87 56.90 1nf4 n SER 162 Cb 0.45 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.36 1nf4 n SER 162 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1nf4 s SER 163 N -0.57 6.54 -0.14 4.04 0.15 -1.26 -4.31 113.70 118.15 1nf4 s SER 163 Ca 0.07 2.54 0.15 0.00 0.70 0.00 0.00 55.95 59.41 1nf4 s SER 163 Cb 0.05 -2.63 0.50 0.00 -1.71 0.00 0.00 66.02 62.23 1nf4 s SER 163 CO 0.07 -0.68 1.41 0.35 1.20 0.00 0.00 173.24 175.59 1nf4 n THR 164 N 0.33 2.02 0.00 6.45 -2.24 -1.26 -4.94 114.28 114.64 1nf4 n THR 164 Ca 0.03 -1.65 0.00 0.00 -2.27 0.00 0.00 64.05 60.16 1nf4 n THR 164 Cb 0.44 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 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 -0.19 -0.36 3.72 3.38 0.00 -1.26 -5.02 105.19 105.47 1nf4 n GLY 165 Ca 0.20 -2.22 -0.39 0.00 0.00 0.00 0.00 46.02 43.61 1nf4 n GLY 165 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nf4 n THR 166 N 0.00 3.67 -1.01 2.61 -2.24 -1.26 -4.94 114.28 111.11 1nf4 n THR 166 Ca 0.00 -0.50 -0.32 0.00 -2.27 0.00 0.00 64.05 60.96 1nf4 n THR 166 Cb 0.00 -1.58 0.14 0.00 -2.10 0.00 0.00 70.33 66.79 1nf4 n THR 166 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nf4 s ALA 167 N -1.30 1.76 -0.30 6.98 0.00 -1.26 -4.89 121.76 122.75 1nf4 s ALA 167 Ca 0.71 0.72 -0.34 0.00 0.00 0.00 0.00 51.96 53.06 1nf4 s ALA 167 Cb -0.43 -3.46 -0.10 0.00 0.00 0.00 0.00 23.12 19.13 1nf4 s ALA 167 CO 0.50 -2.39 2.16 -1.13 0.00 0.00 0.00 175.76 174.90 1nf4 n SER 168 N -3.59 2.48 -4.66 0.00 3.41 -1.26 -4.94 113.62 105.07 1nf4 n SER 168 Ca 0.13 0.42 -0.42 0.00 -0.26 0.00 0.00 58.87 58.74 1nf4 n SER 168 Cb 0.51 -1.33 -0.03 0.00 -0.26 0.00 0.00 64.21 63.10 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 6.02 4.14 0.00 4.33 2.20 -1.26 -4.92 119.74 130.25 1nf4 s LYS 169 Ca 1.06 2.59 0.00 0.00 -0.36 0.00 0.00 55.97 59.26 1nf4 s LYS 169 Cb -0.74 -4.09 0.00 0.00 -1.51 0.00 0.00 37.83 31.49 1nf4 s LYS 169 CO 0.47 -0.94 0.00 0.41 -0.36 0.00 0.00 175.35 174.93 1nf4 n GLY 170 N 4.49 5.82 0.10 5.54 0.00 -1.26 -5.09 105.19 114.79 1nf4 n GLY 170 Ca 0.20 -1.88 -0.19 0.00 0.00 0.00 0.00 46.02 44.15 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 0.38 0.10 0.00 1.61 3.57 -2.06 -3.56 116.94 116.97 1nf4 h PHE 171 Ca 0.00 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.43 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 1.34 0.00 1.33 -2.23 0.00 0.00 178.31 178.75