#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 -0.13 -0.67 -3.83 2.47 -2.00 -1.27 114.38 108.95 1nf4 h ARG 5 Ca 0.00 0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.70 1nf4 h ARG 5 Cb 0.00 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.32 1nf4 h ARG 5 CO 0.00 0.22 0.30 1.49 0.56 0.00 0.00 179.97 182.55 1nf4 h GLU 6 N -0.49 0.98 -0.07 0.04 4.57 -2.00 -0.56 114.58 117.05 1nf4 h GLU 6 Ca -0.01 -0.16 -0.11 0.00 -1.18 0.00 0.00 59.36 57.89 1nf4 h GLU 6 Cb 0.41 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 1nf4 h GLU 6 CO 0.02 0.79 -0.48 -0.44 -1.18 0.00 0.00 179.01 177.73 1nf4 h ASP 7 N 0.94 0.18 -0.45 1.04 3.32 -1.98 0.28 116.42 119.75 1nf4 h ASP 7 Ca 0.23 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 1nf4 h ASP 7 Cb 0.15 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1nf4 h ASP 7 CO -0.03 0.63 -0.01 0.03 -1.72 0.00 0.00 179.24 178.15 1nf4 h ARG 8 N 0.14 0.79 -0.52 3.56 3.08 -0.96 0.18 114.38 120.65 1nf4 h ARG 8 Ca 0.01 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 1nf4 h ARG 8 Cb 0.90 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 1nf4 h ARG 8 CO 0.07 0.86 0.20 0.87 -1.07 0.00 0.00 179.97 180.90 1nf4 h LYS 9 N 0.64 0.77 -0.56 0.04 1.57 -0.52 -2.77 116.57 115.73 1nf4 h LYS 9 Ca 0.13 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1nf4 h LYS 9 Cb 0.51 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 1nf4 h LYS 9 CO 0.02 0.68 0.13 0.00 -0.57 0.00 0.00 179.45 179.71 1nf4 h ALA 10 N 1.05 1.16 -0.16 3.86 0.00 -0.28 0.61 119.26 125.51 1nf4 h ALA 10 Ca 0.17 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1nf4 h ALA 10 Cb 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1nf4 h ALA 10 CO -0.01 0.57 -0.38 0.87 0.00 0.00 0.00 179.25 180.29 1nf4 h LYS 11 N 0.84 0.35 -0.04 0.00 1.79 -0.84 -2.64 116.57 116.03 1nf4 h LYS 11 Ca 0.18 -0.16 -0.23 0.00 -2.18 0.00 0.00 60.65 58.26 1nf4 h LYS 11 Cb 0.32 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 30.97 1nf4 h LYS 11 CO 0.00 0.68 -0.91 0.28 -1.08 0.00 0.00 179.45 178.42 1nf4 h VAL 12 N 0.29 1.35 -0.77 0.50 2.07 -1.13 -2.93 116.25 115.62 1nf4 h VAL 12 Ca 0.03 -2.28 0.09 0.00 0.82 0.00 0.00 66.70 65.36 1nf4 h VAL 12 Cb 0.81 2.29 -0.05 0.00 -1.52 0.00 0.00 31.29 32.82 1nf4 h VAL 12 CO 0.06 0.69 0.51 0.40 0.02 0.00 0.00 177.57 179.25 1nf4 h ILE 13 N 0.32 0.96 -0.48 4.57 2.04 -0.80 -0.71 117.51 123.41 1nf4 h ILE 13 Ca -0.08 -0.25 -0.07 0.00 1.00 0.00 0.00 64.86 65.46 1nf4 h ILE 13 Cb 1.54 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1nf4 h ILE 13 CO 0.17 0.13 0.01 -0.08 0.00 0.00 0.00 178.15 178.38 1nf4 h GLU 14 N 0.72 0.83 0.01 2.37 4.81 -1.29 0.41 114.58 122.44 1nf4 h GLU 14 Ca 0.35 -0.26 -0.20 0.00 -0.13 0.00 0.00 59.36 59.13 1nf4 h GLU 14 Cb 0.42 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1nf4 h GLU 14 CO -0.13 0.87 -0.93 -0.39 -0.73 0.00 0.00 179.01 177.70 1nf4 h VAL 15 N 0.69 1.63 -0.74 0.32 -1.51 -1.33 -2.12 116.25 113.19 1nf4 h VAL 15 Ca 0.14 -3.09 0.01 0.00 -1.23 0.00 0.00 66.70 62.54 1nf4 h VAL 15 Cb 0.49 2.69 -0.04 0.00 -2.13 0.00 0.00 31.29 32.30 1nf4 h VAL 15 CO 0.02 0.88 0.49 -0.07 -1.23 0.00 0.00 177.57 177.66 1nf4 h LEU 16 N 0.02 0.83 -0.85 4.19 3.38 -0.98 0.52 115.31 122.41 1nf4 h LEU 16 Ca -0.02 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1nf4 h LEU 16 Cb 1.63 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.17 1nf4 h LEU 16 CO 0.13 0.59 -0.55 0.78 0.09 0.00 0.00 178.44 179.48 1nf4 h ASN 17 N 0.98 0.00 -0.27 -0.43 2.35 -0.88 0.82 115.58 118.14 1nf4 h ASN 17 Ca 0.28 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.91 1nf4 h ASN 17 Cb -0.08 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 1nf4 h ASN 17 CO -0.07 0.55 -0.30 0.11 -1.65 0.00 0.00 177.43 176.07 1nf4 h LYS 18 N 0.00 0.68 -0.48 0.81 1.57 -0.98 -1.03 116.57 117.14 1nf4 h LYS 18 Ca -0.01 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 1nf4 h LYS 18 Cb 1.01 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 1nf4 h LYS 18 CO 0.07 0.98 0.28 0.00 -0.57 0.00 0.00 179.45 180.21 1nf4 h ALA 19 N 0.69 0.62 -0.76 3.86 0.00 -0.73 -2.40 119.26 120.54 1nf4 h ALA 19 Ca 0.04 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1nf4 h ALA 19 Cb 0.87 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1nf4 h ALA 19 CO 0.07 0.12 0.27 -0.09 0.00 0.00 0.00 179.25 179.62 1nf4 h ARG 20 N 0.64 1.15 -0.63 0.00 2.43 -0.72 -0.63 114.38 116.62 1nf4 h ARG 20 Ca 0.17 -0.23 0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1nf4 h ARG 20 Cb 0.02 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.36 1nf4 h ARG 20 CO -0.03 0.96 0.41 0.00 -1.51 0.00 0.00 179.97 179.81 1nf4 h ALA 21 N 1.14 1.71 -0.44 2.80 0.00 -1.06 -0.14 119.26 123.28 1nf4 h ALA 21 Ca 0.25 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.98 1nf4 h ALA 21 Cb 0.27 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1nf4 h ALA 21 CO -0.01 0.21 -0.30 0.52 0.00 0.00 0.00 179.25 179.66 1nf4 h MET 22 N 0.69 0.98 -0.56 0.00 2.86 -0.71 -0.73 114.93 117.46 1nf4 h MET 22 Ca 0.26 -0.47 -0.00 0.00 -2.06 0.00 0.00 59.70 57.43 1nf4 h MET 22 Cb 0.15 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 1nf4 h MET 22 CO -0.07 1.14 0.35 0.93 1.06 0.00 0.00 176.91 180.31 1nf4 h GLU 23 N 0.82 0.76 -0.74 1.72 4.39 -0.08 -1.17 114.58 120.28 1nf4 h GLU 23 Ca 0.09 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1nf4 h GLU 23 Cb 0.90 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.35 1nf4 h GLU 23 CO 0.08 0.54 0.47 -0.07 -1.16 0.00 0.00 179.01 178.88 1nf4 h LEU 24 N 0.76 0.86 -0.29 1.33 3.38 -1.00 -0.41 115.31 119.95 1nf4 h LEU 24 Ca 0.20 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1nf4 h LEU 24 Cb -0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1nf4 h LEU 24 CO -0.04 0.64 0.03 -0.74 0.09 0.00 0.00 178.44 178.42 1nf4 h HIS 25 N 1.01 0.53 -0.80 1.13 2.76 -1.10 -2.80 115.15 115.87 1nf4 h HIS 25 Ca 0.27 -0.08 -0.04 0.00 -2.20 0.00 0.00 60.37 58.32 1nf4 h HIS 25 Cb -0.09 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 28.69 1nf4 h HIS 25 CO 0.00 0.60 0.35 0.00 -1.30 0.00 0.00 177.93 177.58 1nf4 h ALA 26 N 0.86 1.10 -0.18 5.26 0.00 -0.56 0.82 119.26 126.56 1nf4 h ALA 26 Ca 0.09 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1nf4 h ALA 26 Cb 0.37 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1nf4 h ALA 26 CO 0.01 0.65 -0.07 0.82 0.00 0.00 0.00 179.25 180.66 1nf4 h ILE 27 N 1.15 0.76 -0.29 0.00 2.04 -1.08 0.10 117.51 120.20 1nf4 h ILE 27 Ca 0.27 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.95 1nf4 h ILE 27 Cb 0.17 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1nf4 h ILE 27 CO -0.03 0.00 -0.54 0.45 0.00 0.00 0.00 178.15 178.03 1nf4 h HIS 28 N -0.04 1.08 -0.20 1.37 3.86 -1.22 -0.71 115.15 119.28 1nf4 h HIS 28 Ca 0.09 -0.38 -0.00 0.00 -1.16 0.00 0.00 60.37 58.92 1nf4 h HIS 28 Cb 0.18 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 1nf4 h HIS 28 CO -0.22 1.21 0.12 0.37 0.86 0.00 0.00 177.93 180.27 1nf4 h GLN 29 N 0.66 0.28 -0.35 2.45 5.75 -0.68 -0.44 115.11 122.78 1nf4 h GLN 29 Ca 0.02 -0.03 -0.15 0.00 -0.15 0.00 0.00 58.65 58.34 1nf4 h GLN 29 Cb 1.15 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.64 1nf4 h GLN 29 CO 0.12 0.23 -0.38 1.88 -2.65 0.00 0.00 178.83 178.04 1nf4 h TYR 30 N 0.24 1.05 -0.26 3.99 0.99 -0.82 -2.56 116.97 119.61 1nf4 h TYR 30 Ca 0.07 -0.32 -0.10 0.00 2.00 0.00 0.00 58.73 60.38 1nf4 h TYR 30 Cb 0.03 -0.22 -0.01 0.00 1.00 0.00 0.00 36.73 37.53 1nf4 h TYR 30 CO -0.05 1.13 -0.27 0.52 -0.00 0.00 0.00 178.16 179.50 1nf4 h MET 31 N 0.67 0.51 -0.64 4.88 2.86 -1.08 0.93 114.93 123.07 1nf4 h MET 31 Ca 0.05 -0.20 0.07 0.00 -2.06 0.00 0.00 59.70 57.56 1nf4 h MET 31 Cb 0.97 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.55 1nf4 h MET 31 CO 0.09 0.73 0.33 -0.97 1.06 0.00 0.00 176.91 178.15 1nf4 h ASN 32 N 0.45 0.46 0.21 1.22 -0.73 -0.98 -0.21 115.58 116.01 1nf4 h ASN 32 Ca 0.06 0.04 -0.13 0.00 1.87 0.00 0.00 56.30 58.14 1nf4 h ASN 32 Cb 0.70 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 39.23 1nf4 h ASN 32 CO 0.05 0.30 -0.49 1.56 -0.37 0.00 0.00 177.43 178.47 1nf4 h GLN 33 N 0.60 0.32 -0.41 6.67 4.20 -0.98 -2.78 115.11 122.74 1nf4 h GLN 33 Ca 0.29 -0.18 0.01 0.00 0.06 0.00 0.00 58.65 58.83 1nf4 h GLN 33 Cb 0.23 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 1nf4 h GLN 33 CO -0.21 0.75 0.26 1.25 -0.67 0.00 0.00 178.83 180.21 1nf4 h HIS 34 N 0.26 0.49 -0.90 2.96 2.76 0.03 -0.78 115.15 119.97 1nf4 h HIS 34 Ca 0.01 0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.30 1nf4 h HIS 34 Cb 0.97 -0.16 -0.08 0.00 1.55 0.00 0.00 27.41 29.69 1nf4 h HIS 34 CO 0.02 0.30 0.54 1.88 -1.30 0.00 0.00 177.93 179.37 1nf4 h TYR 35 N 0.53 0.98 -0.15 5.26 0.99 -0.83 -0.76 116.97 122.98 1nf4 h TYR 35 Ca 0.16 0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.86 1nf4 h TYR 35 Cb -0.03 -0.30 -0.00 0.00 1.00 0.00 0.00 36.73 37.39 1nf4 h TYR 35 CO -0.06 0.40 -0.13 0.77 -0.00 0.00 0.00 178.16 179.14 1nf4 h SER 36 N 0.88 0.37 -0.89 3.88 0.02 -1.17 -1.97 113.55 114.68 1nf4 h SER 36 Ca 0.44 -0.46 0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1nf4 h SER 36 Cb 0.40 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.79 1nf4 h SER 36 CO -0.25 0.76 0.58 -0.07 -1.14 0.00 0.00 176.83 176.71 1nf4 h LEU 37 N -0.01 0.96 -0.19 5.07 3.38 -0.92 0.57 115.31 124.18 1nf4 h LEU 37 Ca 0.03 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1nf4 h LEU 37 Cb 0.65 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1nf4 h LEU 37 CO 0.03 0.67 -0.02 -0.78 0.09 0.00 0.00 178.44 178.43 1nf4 h ASP 38 N 1.12 0.35 -0.77 -0.43 1.82 -1.12 -0.83 116.42 116.56 1nf4 h ASP 38 Ca 0.35 -0.34 0.08 0.00 -0.39 0.00 0.00 57.03 56.73 1nf4 h ASP 38 Cb 0.00 -0.09 -0.05 0.00 0.68 0.00 0.00 39.33 39.87 1nf4 h ASP 38 CO -0.10 0.60 0.51 -0.78 -1.61 0.00 0.00 179.24 177.85 1nf4 h ASP 39 N 0.08 0.68 1.12 2.28 3.58 -0.95 0.12 116.42 123.34 1nf4 h ASP 39 Ca 0.05 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1nf4 h ASP 39 Cb 0.44 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.35 1nf4 h ASP 39 CO 0.01 0.43 -0.01 0.23 -2.88 0.00 0.00 179.24 177.02 1nf4 n MET 40 N -4.49 0.07 -3.14 0.28 2.81 0.16 -4.94 117.12 107.87 1nf4 n MET 40 Ca 0.12 0.06 -0.14 0.00 -1.81 0.00 0.00 57.70 55.92 1nf4 n MET 40 Cb 0.27 -1.58 0.06 0.00 -0.71 0.00 0.00 33.22 31.26 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 -1.70 -3.43 -4.11 7.83 2.03 0.40 -4.93 116.55 112.63 1nf4 n ASP 41 Ca 0.07 -0.42 -0.37 0.00 0.52 0.00 0.00 54.79 54.59 1nf4 n ASP 41 Cb 0.36 -3.77 -0.05 0.00 -0.72 0.00 0.00 41.12 36.94 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 -3.71 4.27 -0.12 -0.67 0.53 -0.40 -2.10 117.16 114.96 1nf4 n TYR 42 Ca -0.11 -4.04 -0.07 0.00 -1.02 0.00 0.00 57.90 52.66 1nf4 n TYR 42 Cb 0.59 -1.20 0.01 0.00 -1.03 0.00 0.00 39.34 37.71 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 5.97 0.53 1.38 2.72 0.00 -1.68 0.51 103.07 112.51 1nf4 h GLY 43 Ca 0.17 -0.14 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 1nf4 h GLY 43 CO 0.90 0.11 -0.07 -2.09 0.00 0.00 0.00 176.54 175.39 1nf4 h GLU 44 N 0.41 0.74 -0.23 4.80 4.81 -1.75 0.58 114.58 123.93 1nf4 h GLU 44 Ca 0.16 -0.22 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 1nf4 h GLU 44 Cb 0.06 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1nf4 h GLU 44 CO -0.11 0.80 -0.14 -0.07 -0.73 0.00 0.00 179.01 178.76 1nf4 h LEU 45 N 0.68 0.53 -0.82 1.64 3.38 -1.84 -1.79 115.31 117.09 1nf4 h LEU 45 Ca 0.12 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 1nf4 h LEU 45 Cb 0.52 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1nf4 h LEU 45 CO 0.03 0.84 0.10 0.00 0.09 0.00 0.00 178.44 179.50 1nf4 h ALA 46 N 0.70 1.03 -0.09 1.53 0.00 -0.47 -1.38 119.26 120.57 1nf4 h ALA 46 Ca 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1nf4 h ALA 46 Cb 0.65 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1nf4 h ALA 46 CO 0.04 0.62 0.03 0.00 0.00 0.00 0.00 179.25 179.95 1nf4 h ALA 47 N 1.17 0.12 -0.10 0.00 0.00 0.21 -2.21 119.26 118.45 1nf4 h ALA 47 Ca 0.19 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1nf4 h ALA 47 Cb 0.40 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1nf4 h ALA 47 CO 0.01 -0.28 -0.27 -0.91 0.00 0.00 0.00 179.25 177.79 1nf4 h ASN 48 N -0.02 0.17 -0.43 0.00 2.35 -1.26 -1.43 115.58 114.97 1nf4 h ASN 48 Ca 0.03 -0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 1nf4 h ASN 48 Cb 0.19 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1nf4 h ASN 48 CO -0.00 0.45 -0.05 -0.03 -1.65 0.00 0.00 177.43 176.15 1nf4 h MET 49 N 0.16 0.79 -0.67 0.81 4.05 -1.14 -1.76 114.93 117.15 1nf4 h MET 49 Ca 0.02 -0.27 -0.07 0.00 -0.28 0.00 0.00 59.70 59.10 1nf4 h MET 49 Cb 0.57 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.29 1nf4 h MET 49 CO 0.04 0.88 0.13 -0.22 0.23 0.00 0.00 176.91 177.97 1nf4 h LYS 50 N 0.62 1.10 -0.85 0.39 3.64 -1.04 -1.77 116.57 118.66 1nf4 h LYS 50 Ca 0.12 -0.28 -0.03 0.00 -1.27 0.00 0.00 60.65 59.19 1nf4 h LYS 50 Cb 0.56 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 1nf4 h LYS 50 CO 0.03 0.99 0.43 -0.07 -2.27 0.00 0.00 179.45 178.56 1nf4 h LEU 51 N 1.03 1.09 -0.53 5.20 3.38 -1.13 -1.38 115.31 122.96 1nf4 h LEU 51 Ca 0.21 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 1nf4 h LEU 51 Cb 0.41 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1nf4 h LEU 51 CO 0.01 0.90 -0.23 0.40 0.09 0.00 0.00 178.44 179.60 1nf4 h ILE 52 N 1.20 1.27 -0.48 1.22 2.04 -1.09 -2.06 117.51 119.61 1nf4 h ILE 52 Ca 0.29 -1.39 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 1nf4 h ILE 52 Cb 0.08 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1nf4 h ILE 52 CO -0.04 0.48 0.27 0.00 0.00 0.00 0.00 178.15 178.85 1nf4 h ALA 53 N 0.92 1.56 -0.38 1.87 0.00 -0.88 -0.98 119.26 121.37 1nf4 h ALA 53 Ca 0.10 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1nf4 h ALA 53 Cb 0.80 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1nf4 h ALA 53 CO 0.07 0.37 -0.15 0.82 0.00 0.00 0.00 179.25 180.35 1nf4 h ILE 54 N 0.67 1.26 -0.45 0.00 2.04 -1.03 -0.13 117.51 119.86 1nf4 h ILE 54 Ca 0.17 -1.20 0.06 0.00 1.00 0.00 0.00 64.86 64.89 1nf4 h ILE 54 Cb 0.01 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 1nf4 h ILE 54 CO -0.03 0.40 0.17 0.44 0.00 0.00 0.00 178.15 179.13 1nf4 h ASP 55 N 0.63 0.18 -0.20 1.72 3.32 -0.51 -1.35 116.42 120.21 1nf4 h ASP 55 Ca 0.10 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 1nf4 h ASP 55 Cb 0.62 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 1nf4 h ASP 55 CO 0.04 0.14 0.06 -0.33 -1.72 0.00 0.00 179.24 177.43 1nf4 h GLU 56 N 0.34 0.40 -0.52 3.56 4.39 -0.65 -0.88 114.58 121.22 1nf4 h GLU 56 Ca 0.21 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.86 1nf4 h GLU 56 Cb 0.20 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 1nf4 h GLU 56 CO -0.21 0.38 0.34 0.52 -1.16 0.00 0.00 179.01 178.88 1nf4 h MET 57 N 0.40 0.67 -0.54 2.33 2.86 -0.29 -0.50 114.93 119.85 1nf4 h MET 57 Ca 0.10 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 1nf4 h MET 57 Cb 0.17 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1nf4 h MET 57 CO -0.00 0.44 0.14 -0.09 1.06 0.00 0.00 176.91 178.46 1nf4 h ARG 58 N 0.69 0.86 0.10 1.72 2.43 -0.49 -1.20 114.38 118.49 1nf4 h ARG 58 Ca 0.19 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1nf4 h ARG 58 Cb -0.06 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1nf4 h ARG 58 CO -0.05 0.81 -0.06 0.45 -1.51 0.00 0.00 179.97 179.61 1nf4 h HIS 59 N 0.76 -0.15 -0.92 2.20 3.86 -0.92 0.67 115.15 120.65 1nf4 h HIS 59 Ca 0.17 -0.00 0.16 0.00 -1.16 0.00 0.00 60.37 59.54 1nf4 h HIS 59 Cb 0.33 0.05 -0.08 0.00 1.06 0.00 0.00 27.41 28.78 1nf4 h HIS 59 CO 0.02 -0.10 0.59 0.00 0.86 0.00 0.00 177.93 179.31 1nf4 h ALA 60 N 0.74 1.86 -0.25 2.45 0.00 -0.91 0.72 119.26 123.87 1nf4 h ALA 60 Ca -0.01 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1nf4 h ALA 60 Cb 0.13 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1nf4 h ALA 60 CO 0.01 -0.13 -0.22 1.49 0.00 0.00 0.00 179.25 180.41 1nf4 h GLU 61 N 0.67 0.59 -0.71 0.00 4.81 -0.66 -1.49 114.58 117.79 1nf4 h GLU 61 Ca 0.48 -0.30 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 1nf4 h GLU 61 Cb 0.82 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.18 1nf4 h GLU 61 CO -0.23 0.89 0.17 -0.91 -0.73 0.00 0.00 179.01 178.20 1nf4 h ASN 62 N 0.31 1.07 0.05 1.04 2.35 0.50 -0.97 115.58 119.92 1nf4 h ASN 62 Ca 0.04 -0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1nf4 h ASN 62 Cb 0.76 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.85 1nf4 h ASN 62 CO 0.06 1.02 -0.02 -0.26 -1.65 0.00 0.00 177.43 176.58 1nf4 h PHE 63 N 1.07 -0.06 -0.73 1.19 0.05 -0.89 -1.65 116.94 115.91 1nf4 h PHE 63 Ca 0.22 -0.00 0.12 0.00 3.82 0.00 0.00 57.97 62.13 1nf4 h PHE 63 Cb 0.37 0.02 -0.08 0.00 2.00 0.00 0.00 35.95 38.26 1nf4 h PHE 63 CO 0.03 -0.00 0.33 0.00 -0.18 0.00 0.00 178.31 178.48 1nf4 h ALA 64 N 0.85 1.02 -0.69 2.45 0.00 -1.05 0.89 119.26 122.73 1nf4 h ALA 64 Ca -0.01 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1nf4 h ALA 64 Cb 0.08 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1nf4 h ALA 64 CO 0.01 -0.13 0.13 0.93 0.00 0.00 0.00 179.25 180.18 1nf4 h GLU 65 N 0.52 1.13 -0.33 0.00 5.08 -0.94 -0.60 114.58 119.44 1nf4 h GLU 65 Ca 0.38 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1nf4 h GLU 65 Cb 0.50 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1nf4 h GLU 65 CO -0.34 1.02 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.59 1nf4 h ARG 66 N 1.06 0.59 -0.36 2.33 9.65 -0.65 -1.55 114.38 125.44 1nf4 h ARG 66 Ca 0.21 -0.19 0.05 0.00 -1.10 0.00 0.00 59.98 58.95 1nf4 h ARG 66 Cb 0.43 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 28.91 1nf4 h ARG 66 CO 0.01 0.72 0.08 0.82 2.80 0.00 0.00 179.97 184.40 1nf4 h ILE 67 N 0.39 0.83 -0.80 1.20 2.04 -0.50 -0.23 117.51 120.44 1nf4 h ILE 67 Ca 0.09 -0.07 0.07 0.00 1.00 0.00 0.00 64.86 65.95 1nf4 h ILE 67 Cb 0.46 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 1nf4 h ILE 67 CO 0.02 0.04 0.52 0.11 0.00 0.00 0.00 178.15 178.84 1nf4 h LYS 68 N 0.21 0.81 0.00 2.37 1.79 -0.94 0.22 116.57 121.04 1nf4 h LYS 68 Ca 0.17 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.54 1nf4 h LYS 68 Cb 0.19 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1nf4 h LYS 68 CO -0.21 0.54 -0.25 0.93 -1.08 0.00 0.00 179.45 179.37 1nf4 h GLU 69 N 0.84 0.00 -0.13 3.15 5.08 -0.04 -2.55 114.58 120.92 1nf4 h GLU 69 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1nf4 h GLU 69 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1nf4 h GLU 69 CO -0.13 0.25 0.00 1.28 -1.00 0.00 0.00 179.01 179.41 1nf4 n LEU 70 N -4.17 1.94 0.00 1.33 4.77 -0.09 -4.92 117.00 115.87 1nf4 n LEU 70 Ca -0.02 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 1nf4 n LEU 70 Cb 0.31 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1nf4 n LEU 70 CO 0.37 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 1nf4 n GLY 71 N 1.21 0.77 3.17 -0.72 0.00 -0.90 -4.87 105.19 103.84 1nf4 n GLY 71 Ca 0.17 0.00 -0.19 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 -2.29 0.59 3.25 -0.02 0.00 -0.26 -4.98 105.19 101.48 1nf4 n GLY 72 Ca 0.00 -2.01 -0.34 0.00 0.00 0.00 0.00 46.02 43.67 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 -4.63 3.24 0.09 1.61 2.56 -1.26 -4.22 118.70 116.09 1nf4 s GLU 73 Ca 0.54 -0.71 -0.31 0.00 0.00 0.00 0.00 54.97 54.50 1nf4 s GLU 73 Cb -0.03 -2.80 -0.08 0.00 2.00 0.00 0.00 34.13 33.22 1nf4 s GLU 73 CO 0.36 -0.14 1.49 -2.14 -0.56 0.00 0.00 175.26 174.27 1nf4 s PRO 74 N 1.25 4.26 0.58 4.30 0.02 -1.26 -4.99 135.00 139.17 1nf4 s PRO 74 Ca 0.03 2.17 -0.18 0.00 0.02 0.00 0.00 61.00 63.03 1nf4 s PRO 74 Cb -0.14 -3.38 -0.04 0.00 0.02 0.00 0.00 34.50 30.96 1nf4 s PRO 74 CO -0.05 -0.57 1.14 -0.08 -0.33 0.00 0.00 177.00 177.11 1nf4 s THR 75 N 1.76 3.04 -0.57 0.99 -1.32 -1.26 -4.95 115.64 113.32 1nf4 s THR 75 Ca 0.68 0.61 0.06 0.00 -1.21 0.00 0.00 61.69 61.83 1nf4 s THR 75 Cb -0.38 -3.21 0.16 0.00 -1.51 0.00 0.00 72.50 67.56 1nf4 s THR 75 CO 0.30 -0.18 1.08 0.35 -2.21 0.00 0.00 174.62 173.97 1nf4 n THR 76 N -1.61 0.85 -3.80 5.08 -2.24 -1.26 -4.89 114.28 106.42 1nf4 n THR 76 Ca 0.12 -0.93 -0.36 0.00 -2.27 0.00 0.00 64.05 60.61 1nf4 n THR 76 Cb 0.51 0.59 -0.07 0.00 -2.10 0.00 0.00 70.33 69.26 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 -0.93 3.84 0.37 -0.78 1.11 -1.26 -5.09 119.66 116.92 1nf4 s GLN 77 Ca 0.12 -0.17 -0.12 0.00 0.01 0.00 0.00 55.36 55.21 1nf4 s GLN 77 Cb 0.07 -3.31 -0.07 0.00 -1.01 0.00 0.00 33.01 28.68 1nf4 s GLN 77 CO 0.09 0.52 0.74 -1.59 0.01 0.00 0.00 175.29 175.06 1nf4 s LYS 78 N -0.29 3.84 -0.30 2.91 -2.85 -1.26 -4.43 119.74 117.36 1nf4 s LYS 78 Ca 0.11 0.50 -0.28 0.00 -1.00 0.00 0.00 55.97 55.30 1nf4 s LYS 78 Cb -0.12 -2.43 0.01 0.00 -2.06 0.00 0.00 37.83 33.24 1nf4 s LYS 78 CO 0.01 0.05 1.01 -2.00 0.10 0.00 0.00 175.35 174.52 1nf4 s GLU 79 N -3.53 4.08 1.60 1.78 -6.30 -0.32 -4.92 118.70 111.09 1nf4 s GLU 79 Ca 0.52 1.03 0.00 0.00 -2.50 0.00 0.00 54.97 54.01 1nf4 s GLU 79 Cb -0.10 -3.72 0.00 0.00 0.00 0.00 0.00 34.13 30.31 1nf4 s GLU 79 CO 0.27 -0.81 0.00 0.41 0.02 0.00 0.00 175.26 175.15 1nf4 n GLY 80 N 3.84 -1.67 3.35 -1.50 0.00 -1.26 -4.70 105.19 103.24 1nf4 n GLY 80 Ca 0.10 -1.34 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 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 1.66 -0.05 1.61 -0.14 -1.26 -5.04 119.74 116.52 1nf4 s LYS 81 Ca 0.00 -1.16 -0.30 0.00 -1.36 0.00 0.00 55.97 53.15 1nf4 s LYS 81 Cb 0.00 -1.92 -0.03 0.00 -1.68 0.00 0.00 37.83 34.20 1nf4 s LYS 81 CO 0.00 0.48 1.14 0.08 -0.76 0.00 0.00 175.35 176.30 1nf4 s VAL 82 N -0.88 4.38 -0.22 3.17 1.01 -1.26 -5.03 120.40 121.56 1nf4 s VAL 82 Ca 0.12 1.69 -0.20 0.00 0.00 0.00 0.00 61.98 63.59 1nf4 s VAL 82 Cb -0.10 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 1nf4 s VAL 82 CO 0.03 0.03 0.60 -0.69 0.00 0.00 0.00 175.10 175.07 1nf4 s VAL 83 N 1.92 5.03 0.44 2.92 1.01 -1.26 -5.07 120.40 125.39 1nf4 s VAL 83 Ca 0.54 1.10 0.08 0.00 0.00 0.00 0.00 61.98 63.70 1nf4 s VAL 83 Cb -0.24 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.24 1nf4 s VAL 83 CO 0.23 0.09 0.51 0.42 0.00 0.00 0.00 175.10 176.35 1nf4 s THR 84 N 2.12 2.68 -1.63 3.92 -4.23 -1.26 -4.60 115.64 112.64 1nf4 s THR 84 Ca 0.26 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 1nf4 s THR 84 Cb -0.16 -2.84 0.00 0.00 1.34 0.00 0.00 72.50 70.84 1nf4 s THR 84 CO 0.09 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 1nf4 n GLY 85 N -1.78 1.14 3.74 3.99 0.00 -1.26 -4.96 105.19 106.06 1nf4 n GLY 85 Ca 0.07 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.73 4.55 0.71 1.61 -0.21 -1.26 -5.01 119.66 116.32 1nf4 s GLN 86 Ca 0.00 1.82 -0.14 0.00 0.02 0.00 0.00 55.36 57.06 1nf4 s GLN 86 Cb 0.00 -3.23 0.03 0.00 1.00 0.00 0.00 33.01 30.81 1nf4 s GLN 86 CO 0.00 0.03 1.13 0.00 -2.12 0.00 0.00 175.29 174.34 1nf4 s ALA 87 N -0.43 2.28 0.21 6.09 0.00 -1.26 -4.72 121.76 123.92 1nf4 s ALA 87 Ca 0.49 0.59 -0.11 0.00 0.00 0.00 0.00 51.96 52.94 1nf4 s ALA 87 Cb -0.32 -3.36 0.28 0.00 0.00 0.00 0.00 23.12 19.73 1nf4 s ALA 87 CO 0.38 -1.61 1.69 0.28 0.00 0.00 0.00 175.76 176.50 1nf4 h VAL 88 N -0.36 0.58 -0.95 0.00 2.07 -2.00 0.35 116.25 115.94 1nf4 h VAL 88 Ca -0.46 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1nf4 h VAL 88 Cb 1.26 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 1nf4 h VAL 88 CO 0.52 0.03 0.58 -0.65 0.02 0.00 0.00 177.57 178.07 1nf4 h PRO 89 N 0.18 1.29 -0.50 1.57 0.11 -1.99 -2.60 132.00 130.06 1nf4 h PRO 89 Ca 0.31 -0.11 -0.08 0.00 0.11 0.00 0.00 66.00 66.22 1nf4 h PRO 89 Cb 0.48 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 1nf4 h PRO 89 CO -0.45 0.90 -0.03 0.28 -0.21 0.00 0.00 178.00 178.49 1nf4 h VAL 90 N 1.31 1.25 -0.28 3.15 2.07 -1.49 -2.32 116.25 119.95 1nf4 h VAL 90 Ca 0.34 -1.09 0.06 0.00 0.82 0.00 0.00 66.70 66.83 1nf4 h VAL 90 Cb -0.07 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 1nf4 h VAL 90 CO -0.07 0.38 -0.13 0.40 0.02 0.00 0.00 177.57 178.18 1nf4 h ILE 91 N 0.79 0.60 0.02 4.57 2.04 -0.61 0.39 117.51 125.32 1nf4 h ILE 91 Ca 0.15 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.79 1nf4 h ILE 91 Cb 0.52 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1nf4 h ILE 91 CO 0.03 0.00 -1.02 1.88 0.00 0.00 0.00 178.15 179.04 1nf4 h TYR 92 N -0.08 0.12 -0.39 1.37 -1.99 -1.43 -2.20 116.97 112.35 1nf4 h TYR 92 Ca 0.14 -0.08 -0.06 0.00 2.00 0.00 0.00 58.73 60.74 1nf4 h TYR 92 Cb 0.30 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.01 1nf4 h TYR 92 CO -0.32 1.03 0.02 1.49 -0.00 0.00 0.00 178.16 180.38 1nf4 h GLU 93 N 0.02 0.67 -0.33 4.88 4.57 -1.26 -2.58 114.58 120.57 1nf4 h GLU 93 Ca -0.04 -0.20 -0.13 0.00 -1.18 0.00 0.00 59.36 57.81 1nf4 h GLU 93 Cb 1.75 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 30.26 1nf4 h GLU 93 CO 0.14 0.76 -0.33 0.66 -1.18 0.00 0.00 179.01 179.05 1nf4 h SER 94 N 0.51 0.76 -0.20 1.04 4.64 -0.89 -2.15 113.55 117.25 1nf4 h SER 94 Ca 0.11 -0.31 -0.15 0.00 -0.47 0.00 0.00 61.79 60.97 1nf4 h SER 94 Cb 0.44 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1nf4 h SER 94 CO 0.02 1.03 -0.42 0.44 -0.87 0.00 0.00 176.83 177.02 1nf4 h ASP 95 N 0.61 0.80 -0.68 4.97 5.19 -1.44 0.58 116.42 126.46 1nf4 h ASP 95 Ca 0.06 -0.37 0.04 0.00 -0.62 0.00 0.00 57.03 56.14 1nf4 h ASP 95 Cb 0.86 -0.23 -0.05 0.00 0.18 0.00 0.00 39.33 40.10 1nf4 h ASP 95 CO 0.07 1.11 0.41 0.00 -3.12 0.00 0.00 179.24 177.72 1nf4 h ALA 96 N 0.92 0.90 -0.64 3.45 0.00 -1.41 0.19 119.26 122.67 1nf4 h ALA 96 Ca 0.05 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1nf4 h ALA 96 Cb 0.97 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1nf4 h ALA 96 CO 0.09 0.15 0.10 -0.44 0.00 0.00 0.00 179.25 179.15 1nf4 h ASP 97 N 0.79 1.01 -0.64 0.00 3.32 -0.80 -1.87 116.42 118.24 1nf4 h ASP 97 Ca 0.28 -0.26 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 1nf4 h ASP 97 Cb 0.07 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 1nf4 h ASP 97 CO -0.13 1.02 0.13 -0.61 -1.72 0.00 0.00 179.24 177.93 1nf4 h GLN 98 N 0.97 1.04 -0.56 3.56 4.15 0.67 -2.68 115.11 122.27 1nf4 h GLN 98 Ca 0.19 -0.27 -0.09 0.00 0.77 0.00 0.00 58.65 59.25 1nf4 h GLN 98 Cb 0.44 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 1nf4 h GLN 98 CO 0.01 0.96 -0.02 0.93 -1.93 0.00 0.00 178.83 178.78 1nf4 h GLU 99 N 0.96 0.98 -0.26 1.69 4.39 -0.37 -1.86 114.58 120.12 1nf4 h GLU 99 Ca 0.20 -0.31 0.02 0.00 0.34 0.00 0.00 59.36 59.61 1nf4 h GLU 99 Cb 0.40 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1nf4 h GLU 99 CO 0.01 0.98 0.11 0.22 -1.16 0.00 0.00 179.01 179.16 1nf4 h ASP 100 N 0.90 0.14 -0.55 1.42 1.82 -1.26 -1.67 116.42 117.22 1nf4 h ASP 100 Ca 0.16 0.02 -0.06 0.00 -0.39 0.00 0.00 57.03 56.76 1nf4 h ASP 100 Cb 0.55 -0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.54 1nf4 h ASP 100 CO 0.03 0.11 0.12 0.00 -1.61 0.00 0.00 179.24 177.90 1nf4 h ALA 101 N 1.15 1.10 -0.65 -0.78 0.00 -1.28 -1.29 119.26 117.51 1nf4 h ALA 101 Ca 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1nf4 h ALA 101 Cb 0.06 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1nf4 h ALA 101 CO -0.10 0.59 0.39 1.15 0.00 0.00 0.00 179.25 181.28 1nf4 h THR 102 N 0.89 1.19 -0.80 0.00 2.02 -1.05 0.16 112.91 115.31 1nf4 h THR 102 Ca 0.19 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 1nf4 h THR 102 Cb 0.35 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 1nf4 h THR 102 CO 0.00 0.20 0.38 0.40 0.37 0.00 0.00 175.52 176.87 1nf4 h ILE 103 N 0.88 1.25 0.38 3.11 2.04 -0.86 0.83 117.51 125.16 1nf4 h ILE 103 Ca 0.23 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 1nf4 h ILE 103 Cb -0.01 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1nf4 h ILE 103 CO -0.04 0.31 -0.18 -0.33 0.00 0.00 0.00 178.15 177.90 1nf4 h GLU 104 N 1.14 -0.50 -0.56 2.37 4.39 -0.60 0.41 114.58 121.23 1nf4 h GLU 104 Ca 0.27 0.03 0.03 0.00 0.34 0.00 0.00 59.36 60.04 1nf4 h GLU 104 Cb 0.13 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.86 1nf4 h GLU 104 CO -0.03 -0.32 0.33 0.00 -1.16 0.00 0.00 179.01 177.82 1nf4 h ALA 105 N 0.08 0.73 -0.37 3.43 0.00 -0.41 -2.10 119.26 120.62 1nf4 h ALA 105 Ca -0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1nf4 h ALA 105 Cb 0.41 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1nf4 h ALA 105 CO 0.09 0.03 0.09 1.88 0.00 0.00 0.00 179.25 181.34 1nf4 h TYR 106 N 0.64 0.54 -0.34 0.00 -1.99 0.89 0.15 116.97 116.86 1nf4 h TYR 106 Ca 0.23 -0.03 -0.12 0.00 2.00 0.00 0.00 58.73 60.82 1nf4 h TYR 106 Cb 0.07 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 38.62 1nf4 h TYR 106 CO -0.07 0.47 -0.26 0.77 -0.00 0.00 0.00 178.16 179.07 1nf4 h SER 107 N 0.53 0.71 -0.40 3.88 0.02 -0.27 0.72 113.55 118.74 1nf4 h SER 107 Ca 0.13 -0.26 -0.08 0.00 -0.84 0.00 0.00 61.79 60.73 1nf4 h SER 107 Cb 0.20 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1nf4 h SER 107 CO -0.00 0.94 -0.05 1.56 -1.14 0.00 0.00 176.83 178.13 1nf4 h GLN 108 N 0.60 0.73 -0.87 3.45 4.20 -0.83 -2.82 115.11 119.57 1nf4 h GLN 108 Ca 0.08 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1nf4 h GLN 108 Cb 0.76 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.44 1nf4 h GLN 108 CO 0.06 0.85 0.54 0.74 -0.67 0.00 0.00 178.83 180.36 1nf4 h PHE 109 N 0.55 1.12 -0.92 2.96 0.05 -0.15 -1.92 116.94 118.62 1nf4 h PHE 109 Ca 0.11 0.01 0.07 0.00 3.82 0.00 0.00 57.97 61.98 1nf4 h PHE 109 Cb 0.56 -0.37 -0.07 0.00 2.00 0.00 0.00 35.95 38.06 1nf4 h PHE 109 CO 0.04 0.73 0.58 1.25 -0.18 0.00 0.00 178.31 180.74 1nf4 h LEU 110 N 1.19 0.90 -0.25 1.54 6.46 -0.81 -1.98 115.31 122.35 1nf4 h LEU 110 Ca 0.31 0.02 0.05 0.00 -0.12 0.00 0.00 57.88 58.15 1nf4 h LEU 110 Cb -0.08 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 39.63 1nf4 h LEU 110 CO -0.06 0.56 -0.09 0.50 -0.62 0.00 0.00 178.44 178.72 1nf4 h LYS 111 N 1.02 -0.04 -0.66 1.25 3.64 -1.10 -2.07 116.57 118.61 1nf4 h LYS 111 Ca 0.41 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.85 1nf4 h LYS 111 Cb 0.23 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 1nf4 h LYS 111 CO -0.19 -0.03 0.37 0.28 -2.27 0.00 0.00 179.45 177.61 1nf4 h VAL 112 N -0.04 0.98 -0.62 2.00 2.07 -0.97 0.12 116.25 119.80 1nf4 h VAL 112 Ca 0.13 -0.24 0.10 0.00 0.82 0.00 0.00 66.70 67.51 1nf4 h VAL 112 Cb 0.23 0.23 -0.08 0.00 -1.52 0.00 0.00 31.29 30.15 1nf4 h VAL 112 CO -0.28 0.13 0.20 0.00 0.02 0.00 0.00 177.57 177.64 1nf4 h LYS 114 N 0.36 0.32 -0.21 0.00 1.57 -0.66 0.94 116.57 118.90 1nf4 h LYS 114 Ca 0.32 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1nf4 h LYS 114 Cb 0.43 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1nf4 h LYS 114 CO -0.34 0.54 0.14 0.93 -0.57 0.00 0.00 179.45 180.15 1nf4 h GLU 115 N 0.06 0.27 -0.37 3.15 5.08 -0.22 -0.18 114.58 122.37 1nf4 h GLU 115 Ca 0.05 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1nf4 h GLU 115 Cb 0.40 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1nf4 h GLU 115 CO 0.01 0.18 0.00 1.04 -1.00 0.00 0.00 179.01 179.24 1nf4 n GLN 116 N -4.51 1.86 -2.69 2.33 1.13 0.27 -4.91 117.38 110.86 1nf4 n GLN 116 Ca 0.00 -1.30 -0.17 0.00 -1.94 0.00 0.00 57.00 53.58 1nf4 n GLN 116 Cb 0.07 -1.29 0.02 0.00 0.11 0.00 0.00 30.24 29.15 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 1.06 -0.29 3.13 1.08 0.00 -0.08 -4.90 105.19 105.20 1nf4 n GLY 117 Ca 0.12 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.61 5.75 0.20 1.61 -1.08 0.31 -4.92 116.67 115.94 1nf4 s ASP 118 Ca 0.17 -3.19 -0.09 0.00 -0.52 0.00 0.00 52.55 48.92 1nf4 s ASP 118 Cb -0.07 -1.93 0.14 0.00 -1.46 0.00 0.00 42.92 39.60 1nf4 s ASP 118 CO 0.21 -0.32 1.79 0.40 0.52 0.00 0.00 175.17 177.76 1nf4 h ILE 119 N 4.71 1.24 -0.42 4.11 1.08 -1.94 -1.01 117.51 125.30 1nf4 h ILE 119 Ca 0.07 -0.70 -0.05 0.00 -0.39 0.00 0.00 64.86 63.79 1nf4 h ILE 119 Cb 0.91 0.32 -0.02 0.00 -3.07 0.00 0.00 36.82 34.97 1nf4 h ILE 119 CO 0.78 0.29 0.06 0.58 -0.69 0.00 0.00 178.15 179.16 1nf4 h VAL 120 N 1.05 1.25 -0.11 1.67 2.07 -1.97 -0.80 116.25 119.40 1nf4 h VAL 120 Ca 0.25 -0.90 -0.16 0.00 0.82 0.00 0.00 66.70 66.71 1nf4 h VAL 120 Cb 0.14 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1nf4 h VAL 120 CO -0.03 0.31 -0.61 0.74 0.02 0.00 0.00 177.57 178.00 1nf4 h THR 121 N 0.55 1.36 -0.60 2.57 2.02 -1.93 -1.54 112.91 115.34 1nf4 h THR 121 Ca 0.12 -1.94 -0.01 0.00 0.77 0.00 0.00 66.41 65.35 1nf4 h THR 121 Cb 0.39 1.94 -0.03 0.00 -1.74 0.00 0.00 68.15 68.71 1nf4 h THR 121 CO 0.01 0.59 0.32 0.00 0.37 0.00 0.00 175.52 176.81 1nf4 h ALA 122 N 1.05 1.44 -0.09 6.16 0.00 -0.91 -2.10 119.26 124.81 1nf4 h ALA 122 Ca -0.01 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1nf4 h ALA 122 Cb 1.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1nf4 h ALA 122 CO 0.10 0.46 -0.58 -0.09 0.00 0.00 0.00 179.25 179.15 1nf4 h ARG 123 N 0.83 0.28 -0.23 0.00 9.65 -0.78 -2.12 114.38 122.01 1nf4 h ARG 123 Ca 0.21 -0.18 0.02 0.00 -1.10 0.00 0.00 59.98 58.93 1nf4 h ARG 123 Cb 0.04 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.62 1nf4 h ARG 123 CO -0.03 0.78 0.09 1.25 2.80 0.00 0.00 179.97 184.86 1nf4 h LEU 124 N 0.21 0.12 -0.92 3.80 5.85 -0.83 -1.96 115.31 121.59 1nf4 h LEU 124 Ca -0.00 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1nf4 h LEU 124 Cb 1.08 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 1nf4 h LEU 124 CO 0.09 0.10 0.52 -0.26 -0.34 0.00 0.00 178.44 178.56 1nf4 h PHE 125 N 0.21 1.24 0.03 1.25 -1.00 -1.23 -1.73 116.94 115.70 1nf4 h PHE 125 Ca 0.10 -0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.87 1nf4 h PHE 125 Cb 0.05 -0.40 -0.01 0.00 3.61 0.00 0.00 35.95 39.20 1nf4 h PHE 125 CO -0.11 0.84 -0.06 1.49 -1.61 0.00 0.00 178.31 178.86 1nf4 h GLU 126 N 1.28 -0.11 -0.61 1.51 4.81 -1.21 0.26 114.58 120.50 1nf4 h GLU 126 Ca 0.33 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.50 1nf4 h GLU 126 Cb -0.01 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1nf4 h GLU 126 CO -0.06 -0.07 0.12 0.00 -0.73 0.00 0.00 179.01 178.27 1nf4 h ARG 127 N -0.11 0.98 -0.15 1.92 3.08 -1.20 -2.58 114.38 116.31 1nf4 h ARG 127 Ca 0.01 -0.23 -0.15 0.00 0.07 0.00 0.00 59.98 59.68 1nf4 h ARG 127 Cb 0.13 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1nf4 h ARG 127 CO -0.04 0.89 -0.54 0.82 -1.07 0.00 0.00 179.97 180.03 1nf4 h ILE 128 N 0.93 1.33 -0.35 2.04 2.04 -0.99 -2.88 117.51 119.62 1nf4 h ILE 128 Ca 0.19 -1.80 -0.04 0.00 1.00 0.00 0.00 64.86 64.21 1nf4 h ILE 128 Cb 0.37 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 1nf4 h ILE 128 CO 0.01 0.55 0.03 0.40 0.00 0.00 0.00 178.15 179.14 1nf4 h ILE 129 N 0.35 1.19 -0.62 -0.67 2.04 -0.20 -0.45 117.51 119.15 1nf4 h ILE 129 Ca 0.01 -0.72 -0.05 0.00 1.00 0.00 0.00 64.86 65.10 1nf4 h ILE 129 Cb 1.05 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 1nf4 h ILE 129 CO 0.10 0.25 0.19 -0.33 0.00 0.00 0.00 178.15 178.36 1nf4 h GLU 130 N 0.52 0.93 -0.38 2.37 5.08 -1.34 -2.16 114.58 119.60 1nf4 h GLU 130 Ca 0.12 -0.18 -0.15 0.00 -1.00 0.00 0.00 59.36 58.15 1nf4 h GLU 130 Cb 0.29 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1nf4 h GLU 130 CO 0.01 0.80 -0.35 0.93 -1.00 0.00 0.00 179.01 179.40 1nf4 h GLU 131 N 0.90 0.88 -0.35 2.33 5.08 -1.04 -2.67 114.58 119.71 1nf4 h GLU 131 Ca 0.20 -0.43 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 1nf4 h GLU 131 Cb 0.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1nf4 h GLU 131 CO -0.01 1.08 0.12 0.93 -1.00 0.00 0.00 179.01 180.13 1nf4 h GLU 132 N 0.73 0.49 -0.71 2.33 4.39 -0.90 -1.51 114.58 119.40 1nf4 h GLU 132 Ca 0.07 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1nf4 h GLU 132 Cb 0.92 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.44 1nf4 h GLU 132 CO 0.08 0.43 0.19 0.37 -1.16 0.00 0.00 179.01 178.93 1nf4 h GLN 133 N 0.49 1.12 -0.69 2.33 5.75 -1.27 1.00 115.11 123.84 1nf4 h GLN 133 Ca 0.12 -0.25 0.04 0.00 -0.15 0.00 0.00 58.65 58.40 1nf4 h GLN 133 Cb 0.14 -0.16 -0.05 0.00 1.07 0.00 0.00 27.48 28.48 1nf4 h GLN 133 CO -0.01 0.97 0.42 0.00 -2.65 0.00 0.00 178.83 177.57 1nf4 h ALA 134 N 1.13 0.91 -0.59 3.38 0.00 -0.96 0.12 119.26 123.26 1nf4 h ALA 134 Ca 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1nf4 h ALA 134 Cb 0.34 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1nf4 h ALA 134 CO -0.00 0.17 0.33 0.45 0.00 0.00 0.00 179.25 180.20 1nf4 h HIS 135 N 0.81 0.80 -0.41 0.00 3.86 -0.54 -1.47 115.15 118.20 1nf4 h HIS 135 Ca 0.29 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.48 1nf4 h HIS 135 Cb 0.06 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.26 1nf4 h HIS 135 CO -0.05 0.57 0.24 1.25 0.86 0.00 0.00 177.93 180.80 1nf4 h LEU 136 N 0.79 0.49 -0.50 2.43 5.85 -0.38 -0.39 115.31 123.60 1nf4 h LEU 136 Ca 0.21 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1nf4 h LEU 136 Cb 0.02 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1nf4 h LEU 136 CO -0.04 0.41 0.27 0.74 -0.34 0.00 0.00 178.44 179.49 1nf4 h THR 137 N 0.54 1.17 -0.08 1.05 2.02 -0.79 -0.16 112.91 116.66 1nf4 h THR 137 Ca 0.15 -0.45 0.04 0.00 0.77 0.00 0.00 66.41 66.91 1nf4 h THR 137 Cb 0.01 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 66.93 1nf4 h THR 137 CO -0.03 0.19 -0.19 0.22 0.37 0.00 0.00 175.52 176.08 1nf4 h TYR 138 N 0.67 -0.50 -0.38 3.16 3.20 -0.66 -0.08 116.97 122.38 1nf4 h TYR 138 Ca 0.18 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.99 1nf4 h TYR 138 Cb 0.06 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 1nf4 h TYR 138 CO -0.02 -0.27 -0.11 1.88 -1.64 0.00 0.00 178.16 178.01 1nf4 h TYR 139 N -0.27 0.71 -0.29 -3.82 0.99 -0.84 -1.96 116.97 111.50 1nf4 h TYR 139 Ca 0.08 -0.12 -0.11 0.00 2.00 0.00 0.00 58.73 60.59 1nf4 h TYR 139 Cb 0.39 -0.19 -0.01 0.00 1.00 0.00 0.00 36.73 37.91 1nf4 h TYR 139 CO -0.28 0.74 -0.26 0.93 -0.00 0.00 0.00 178.16 179.29 1nf4 h GLU 140 N 0.60 0.57 0.02 4.88 5.08 -0.64 -1.79 114.58 123.30 1nf4 h GLU 140 Ca 0.11 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1nf4 h GLU 140 Cb 0.54 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1nf4 h GLU 140 CO 0.03 0.78 -0.01 -0.91 -1.00 0.00 0.00 179.01 177.91 1nf4 h ASN 141 N 0.50 -0.02 -0.38 1.42 2.35 -0.30 -1.38 115.58 117.77 1nf4 h ASN 141 Ca 0.07 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 1nf4 h ASN 141 Cb 0.72 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.08 1nf4 h ASN 141 CO 0.06 0.01 0.13 0.40 -1.65 0.00 0.00 177.43 176.37 1nf4 h ILE 142 N -0.05 1.21 -0.92 2.81 1.08 -1.33 -1.48 117.51 118.83 1nf4 h ILE 142 Ca -0.00 -0.67 0.05 0.00 -0.39 0.00 0.00 64.86 63.85 1nf4 h ILE 142 Cb 0.04 0.94 -0.06 0.00 -3.07 0.00 0.00 36.82 34.67 1nf4 h ILE 142 CO 0.00 0.24 0.60 1.23 -0.69 0.00 0.00 178.15 179.53 1nf4 h GLY 143 N 0.47 1.34 1.14 5.37 0.00 -1.27 -0.28 103.07 109.84 1nf4 h GLY 143 Ca 0.12 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 46.96 1nf4 h GLY 143 CO -0.01 0.35 0.23 0.23 0.00 0.00 0.00 176.54 177.34 1nf4 h SER 144 N 1.10 1.01 -0.13 0.19 0.87 -0.83 0.38 113.55 116.13 1nf4 h SER 144 Ca 0.38 -0.18 -0.17 0.00 -1.23 0.00 0.00 61.79 60.59 1nf4 h SER 144 Cb 0.11 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.81 1nf4 h SER 144 CO -0.13 0.93 -0.54 0.45 -0.53 0.00 0.00 176.83 177.01 1nf4 h HIS 145 N 1.04 0.89 -0.52 2.24 -0.00 -0.17 -0.58 115.15 118.05 1nf4 h HIS 145 Ca 0.23 -0.31 -0.04 0.00 -0.00 0.00 0.00 60.37 60.25 1nf4 h HIS 145 Cb 0.28 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.49 1nf4 h HIS 145 CO 0.02 1.09 0.18 0.82 -0.00 0.00 0.00 177.93 180.04 1nf4 h ILE 146 N 0.55 1.23 -0.37 2.45 2.04 -0.85 1.06 117.51 123.61 1nf4 h ILE 146 Ca 0.01 -0.75 -0.06 0.00 1.00 0.00 0.00 64.86 65.06 1nf4 h ILE 146 Cb 1.11 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 1nf4 h ILE 146 CO 0.11 0.28 -0.00 0.11 0.00 0.00 0.00 178.15 178.65 1nf4 h LYS 147 N 0.72 0.66 0.05 2.37 1.57 -0.88 0.51 116.57 121.56 1nf4 h LYS 147 Ca 0.17 -0.21 -0.24 0.00 -1.87 0.00 0.00 60.65 58.50 1nf4 h LYS 147 Cb 0.26 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1nf4 h LYS 147 CO -0.01 0.77 -1.14 -0.91 -0.57 0.00 0.00 179.45 177.59 1nf4 h ASN 148 N 0.48 0.16 0.00 0.86 4.21 -0.93 -3.40 115.58 116.95 1nf4 h ASN 148 Ca 0.10 -0.17 0.00 0.00 1.21 0.00 0.00 56.30 57.44 1nf4 h ASN 148 Cb 0.47 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 1nf4 h ASN 148 CO 0.02 1.14 -1.05 0.18 -1.29 0.00 0.00 177.43 176.43 1nf4 n LEU 149 N -3.40 0.01 0.00 1.61 4.77 0.36 -5.07 117.00 115.28 1nf4 n LEU 149 Ca -0.04 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1nf4 n LEU 149 Cb 0.98 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.07 1nf4 n LEU 149 CO 0.49 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1nf4 n GLY 150 N 2.28 3.38 0.28 -0.72 0.00 0.17 -2.49 105.19 108.09 1nf4 n GLY 150 Ca -0.00 -0.09 0.15 0.00 0.00 0.00 0.00 46.02 46.08 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 0.31 0.00 0.06 1.61 3.32 -1.94 -1.67 116.42 118.11 1nf4 h ASP 151 Ca 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1nf4 h ASP 151 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1nf4 h ASP 151 CO 0.00 0.08 -0.55 0.74 -1.72 0.00 0.00 179.24 177.79 1nf4 h THR 152 N 0.00 1.33 -0.20 0.35 2.02 -1.90 0.54 112.91 115.05 1nf4 h THR 152 Ca -0.00 -1.80 -0.04 0.00 0.77 0.00 0.00 66.41 65.34 1nf4 h THR 152 Cb 0.29 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 1nf4 h THR 152 CO 0.01 0.56 -0.03 0.22 0.37 0.00 0.00 175.52 176.65 1nf4 h TYR 153 N 0.40 0.41 -0.27 3.16 3.20 -1.37 -3.21 116.97 119.29 1nf4 h TYR 153 Ca 0.01 -0.08 -0.08 0.00 3.14 0.00 0.00 58.73 61.71 1nf4 h TYR 153 Cb 1.08 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 1nf4 h TYR 153 CO 0.04 0.60 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.89 1nf4 h LEU 154 N 0.10 0.48 -1.86 2.82 3.38 -1.39 -2.19 115.31 116.66 1nf4 h LEU 154 Ca 0.05 -0.15 0.10 0.00 0.09 0.00 0.00 57.88 57.97 1nf4 h LEU 154 Cb 0.45 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1nf4 h LEU 154 CO 0.02 0.69 0.30 0.00 0.09 0.00 0.00 178.44 179.54 1nf4 h ALA 155 N 1.35 2.20 -0.08 1.53 0.00 -0.89 0.11 119.26 123.48 1nf4 h ALA 155 Ca 0.07 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 1nf4 h ALA 155 Cb 0.59 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1nf4 h ALA 155 CO 0.04 -0.31 -0.74 -0.22 0.00 0.00 0.00 179.25 178.01 1nf4 h LYS 156 N 0.16 0.43 0.00 0.00 3.64 -1.41 -3.22 116.57 116.16 1nf4 h LYS 156 Ca 0.20 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1nf4 h LYS 156 Cb 0.60 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1nf4 h LYS 156 CO -0.03 0.99 -0.41 0.82 -2.27 0.00 0.00 179.45 178.55 1nf4 h ILE 157 N 0.29 0.00 -2.75 2.00 1.08 -1.14 -3.45 117.51 113.54 1nf4 h ILE 157 Ca -0.03 -0.94 -0.52 0.00 -0.39 0.00 0.00 64.86 62.97 1nf4 h ILE 157 Cb 1.33 1.73 0.05 0.00 -3.07 0.00 0.00 36.82 36.86 1nf4 h ILE 157 CO 0.13 0.00 0.94 0.00 -0.69 0.00 0.00 178.15 178.53 1nf4 s ALA 158 N -3.26 3.85 0.00 1.87 0.00 -0.08 -1.98 121.76 122.16 1nf4 s ALA 158 Ca 0.04 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1nf4 s ALA 158 Cb 0.08 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1nf4 s ALA 158 CO 0.71 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 176.04 1nf4 n GLY 159 N 3.86 0.73 3.77 0.00 0.00 -0.89 -5.00 105.19 107.65 1nf4 n GLY 159 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.04 3.23 0.51 2.61 -4.23 -0.84 -4.95 115.64 108.93 1nf4 s THR 160 Ca 0.00 0.40 -0.22 0.00 -1.18 0.00 0.00 61.69 60.68 1nf4 s THR 160 Cb 0.00 -2.94 -0.06 0.00 1.34 0.00 0.00 72.50 70.84 1nf4 s THR 160 CO 0.00 -0.52 1.29 -2.84 -0.54 0.00 0.00 174.62 172.01 1nf4 s PRO 161 N -4.96 3.40 0.00 3.99 0.02 -1.26 -3.91 135.00 132.29 1nf4 s PRO 161 Ca 0.61 2.09 0.06 0.00 0.02 0.00 0.00 61.00 63.78 1nf4 s PRO 161 Cb -0.17 -2.35 -0.02 0.00 0.02 0.00 0.00 34.50 31.99 1nf4 s PRO 161 CO 0.56 -0.93 0.43 -1.13 -0.33 0.00 0.00 177.00 175.59 1nf4 n SER 162 N -0.76 0.77 -4.71 2.53 3.41 -1.26 -3.06 113.62 110.53 1nf4 n SER 162 Ca 0.09 -0.88 -0.40 0.00 -0.26 0.00 0.00 58.87 57.41 1nf4 n SER 162 Cb 0.46 0.62 0.02 0.00 -0.26 0.00 0.00 64.21 65.04 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 -0.56 2.62 -0.48 4.04 2.88 -1.26 -4.25 113.62 116.62 1nf4 n SER 163 Ca 0.02 1.08 0.05 0.00 -1.33 0.00 0.00 58.87 58.69 1nf4 n SER 163 Cb 0.12 -1.52 0.13 0.00 -0.75 0.00 0.00 64.21 62.18 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 -0.39 1.19 0.00 2.46 -2.24 -1.26 -4.92 114.28 109.12 1nf4 n THR 164 Ca 0.07 -1.16 0.00 0.00 -2.27 0.00 0.00 64.05 60.69 1nf4 n THR 164 Cb 0.41 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 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 0.05 0.70 3.68 3.38 0.00 -1.26 -5.04 105.19 106.70 1nf4 n GLY 165 Ca 0.10 -2.22 -0.36 0.00 0.00 0.00 0.00 46.02 43.54 1nf4 n GLY 165 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1nf4 n THR 166 N 0.31 3.54 -1.60 2.61 5.66 -1.26 -4.89 114.28 118.65 1nf4 n THR 166 Ca 0.00 -0.39 -0.42 0.00 -3.05 0.00 0.00 64.05 60.20 1nf4 n THR 166 Cb 0.00 -1.29 0.01 0.00 -1.55 0.00 0.00 70.33 67.50 1nf4 n THR 166 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nf4 n ALA 167 N -2.45 0.10 -1.50 1.79 0.00 -1.26 -4.84 120.51 112.35 1nf4 n ALA 167 Ca 0.14 0.26 -0.49 0.00 0.00 0.00 0.00 53.44 53.35 1nf4 n ALA 167 Cb 0.49 -2.07 -0.06 0.00 0.00 0.00 0.00 19.45 17.81 1nf4 n ALA 167 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nf4 n SER 168 N 0.65 2.49 -4.66 0.00 3.41 -1.26 -4.87 113.62 109.38 1nf4 n SER 168 Ca 0.09 0.42 -0.42 0.00 -0.26 0.00 0.00 58.87 58.70 1nf4 n SER 168 Cb 0.38 -1.34 -0.03 0.00 -0.26 0.00 0.00 64.21 62.96 1nf4 n SER 168 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1nf4 s LYS 169 N 6.02 4.14 0.00 4.33 1.02 -1.26 -4.94 119.74 129.06 1nf4 s LYS 169 Ca 1.06 2.59 0.00 0.00 0.02 0.00 0.00 55.97 59.64 1nf4 s LYS 169 Cb -0.73 -4.11 0.00 0.00 -0.52 0.00 0.00 37.83 32.47 1nf4 s LYS 169 CO 0.46 -0.94 0.00 0.41 -0.92 0.00 0.00 175.35 174.36 1nf4 n GLY 170 N 4.50 6.47 0.11 -3.33 0.00 -1.26 -5.08 105.19 106.59 1nf4 n GLY 170 Ca 0.20 -2.02 -0.20 0.00 0.00 0.00 0.00 46.02 44.00 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 0.00 0.30 -0.00 1.61 3.57 -2.05 -3.56 116.94 116.80 1nf4 h PHE 171 Ca 0.00 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.28 1nf4 h PHE 171 Cb 0.00 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1nf4 h PHE 171 CO 0.00 1.37 0.00 1.33 -2.23 0.00 0.00 178.31 178.78