#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 0.35 -0.56 1.20 2.47 -2.02 -1.72 114.38 114.10 1nf4 h ARG 5 Ca 0.00 -0.02 -0.06 0.00 -1.26 0.00 0.00 59.98 58.63 1nf4 h ARG 5 Cb 0.00 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.22 1nf4 h ARG 5 CO 0.00 0.23 0.10 1.49 0.56 0.00 0.00 179.97 182.35 1nf4 h GLU 6 N 0.36 0.93 -0.02 0.04 4.57 -2.01 -2.75 114.58 115.71 1nf4 h GLU 6 Ca 0.40 -0.24 -0.09 0.00 -1.18 0.00 0.00 59.36 58.24 1nf4 h GLU 6 Cb 0.63 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 1nf4 h GLU 6 CO -0.43 0.89 -0.42 -0.44 -1.18 0.00 0.00 179.01 177.43 1nf4 h ASP 7 N 0.82 0.04 -0.01 1.04 5.19 -1.76 -0.78 116.42 120.96 1nf4 h ASP 7 Ca 0.17 -0.02 -0.14 0.00 -0.62 0.00 0.00 57.03 56.43 1nf4 h ASP 7 Cb 0.40 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.89 1nf4 h ASP 7 CO 0.01 0.46 -0.43 0.03 -3.12 0.00 0.00 179.24 176.18 1nf4 h ARG 8 N 0.03 0.54 -0.18 3.56 3.08 -1.21 -2.64 114.38 117.55 1nf4 h ARG 8 Ca 0.00 -0.28 -0.08 0.00 0.07 0.00 0.00 59.98 59.68 1nf4 h ARG 8 Cb 0.75 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.81 1nf4 h ARG 8 CO 0.06 0.87 -0.21 0.87 -1.07 0.00 0.00 179.97 180.49 1nf4 h LYS 9 N 0.44 0.46 -0.47 0.04 1.57 -1.20 -2.68 116.57 114.72 1nf4 h LYS 9 Ca 0.03 -0.25 0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1nf4 h LYS 9 Cb 0.94 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.21 1nf4 h LYS 9 CO 0.08 0.83 0.17 0.00 -0.57 0.00 0.00 179.45 179.96 1nf4 h ALA 10 N 0.62 0.57 -0.29 3.86 0.00 -1.13 0.10 119.26 122.99 1nf4 h ALA 10 Ca 0.03 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1nf4 h ALA 10 Cb 0.76 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1nf4 h ALA 10 CO 0.05 -0.22 -0.24 0.87 0.00 0.00 0.00 179.25 179.71 1nf4 h LYS 11 N 0.35 0.57 -0.15 0.00 1.57 -1.52 -0.94 116.57 116.45 1nf4 h LYS 11 Ca 0.22 -0.22 -0.20 0.00 -1.87 0.00 0.00 60.65 58.59 1nf4 h LYS 11 Cb 0.22 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.51 1nf4 h LYS 11 CO -0.22 0.76 -0.68 0.28 -0.57 0.00 0.00 179.45 179.02 1nf4 h VAL 12 N 0.50 1.30 -0.86 0.50 2.07 -1.11 -3.01 116.25 115.63 1nf4 h VAL 12 Ca 0.07 -1.91 0.06 0.00 0.82 0.00 0.00 66.70 65.74 1nf4 h VAL 12 Cb 0.69 2.02 -0.05 0.00 -1.52 0.00 0.00 31.29 32.42 1nf4 h VAL 12 CO 0.05 0.60 0.56 0.40 0.02 0.00 0.00 177.57 179.20 1nf4 h ILE 13 N 0.42 1.07 -0.33 4.57 2.04 -0.63 -0.48 117.51 124.18 1nf4 h ILE 13 Ca -0.04 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1nf4 h ILE 13 Cb 1.32 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1nf4 h ILE 13 CO 0.14 0.18 0.17 -0.08 0.00 0.00 0.00 178.15 178.56 1nf4 h GLU 14 N 0.99 0.47 0.00 2.37 4.81 -1.13 -1.14 114.58 120.95 1nf4 h GLU 14 Ca 0.37 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.44 1nf4 h GLU 14 Cb 0.17 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1nf4 h GLU 14 CO -0.13 0.41 -0.44 -0.39 -0.73 0.00 0.00 179.01 177.73 1nf4 h VAL 15 N 0.40 0.91 -0.56 0.32 -1.51 -1.29 -2.25 116.25 112.27 1nf4 h VAL 15 Ca 0.11 -1.84 -0.09 0.00 -1.23 0.00 0.00 66.70 63.66 1nf4 h VAL 15 Cb 0.09 2.14 -0.02 0.00 -2.13 0.00 0.00 31.29 31.36 1nf4 h VAL 15 CO -0.02 0.44 -0.01 -0.07 -1.23 0.00 0.00 177.57 176.68 1nf4 h LEU 16 N 0.00 0.95 -0.67 4.19 3.38 -0.75 -0.64 115.31 121.77 1nf4 h LEU 16 Ca -0.00 -0.26 -0.14 0.00 0.09 0.00 0.00 57.88 57.56 1nf4 h LEU 16 Cb 1.10 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1nf4 h LEU 16 CO 0.06 1.01 -0.63 0.78 0.09 0.00 0.00 178.44 179.75 1nf4 h ASN 17 N 0.89 0.16 -0.23 -0.43 2.35 -1.09 0.14 115.58 117.37 1nf4 h ASN 17 Ca 0.16 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1nf4 h ASN 17 Cb 0.54 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 1nf4 h ASN 17 CO 0.03 0.74 0.06 0.11 -1.65 0.00 0.00 177.43 176.72 1nf4 h LYS 18 N 0.10 0.37 -0.45 0.81 1.57 -1.16 -0.76 116.57 117.05 1nf4 h LYS 18 Ca -0.01 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1nf4 h LYS 18 Cb 1.13 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 1nf4 h LYS 18 CO 0.09 0.48 0.17 0.00 -0.57 0.00 0.00 179.45 179.62 1nf4 h ALA 19 N 0.88 0.59 -0.50 3.86 0.00 -0.95 -2.40 119.26 120.74 1nf4 h ALA 19 Ca 0.07 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1nf4 h ALA 19 Cb 0.27 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1nf4 h ALA 19 CO 0.00 0.20 0.19 -0.09 0.00 0.00 0.00 179.25 179.55 1nf4 h ARG 20 N 0.59 0.36 -0.56 0.00 2.43 -0.65 0.24 114.38 116.79 1nf4 h ARG 20 Ca 0.15 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1nf4 h ARG 20 Cb 0.20 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1nf4 h ARG 20 CO -0.01 0.24 0.37 0.00 -1.51 0.00 0.00 179.97 179.06 1nf4 h ALA 21 N 1.32 1.66 -0.42 2.80 0.00 -0.95 0.51 119.26 124.18 1nf4 h ALA 21 Ca 0.24 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1nf4 h ALA 21 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1nf4 h ALA 21 CO -0.23 0.30 -0.05 0.52 0.00 0.00 0.00 179.25 179.79 1nf4 h MET 22 N 0.70 0.78 -0.23 0.00 2.86 -0.77 -1.06 114.93 117.21 1nf4 h MET 22 Ca 0.22 -0.27 0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1nf4 h MET 22 Cb 0.00 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 1nf4 h MET 22 CO -0.05 0.88 0.06 0.93 1.06 0.00 0.00 176.91 179.79 1nf4 h GLU 23 N 0.61 0.16 -0.75 1.72 4.39 0.16 -1.27 114.58 119.61 1nf4 h GLU 23 Ca 0.11 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.83 1nf4 h GLU 23 Cb 0.56 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 1nf4 h GLU 23 CO 0.03 0.11 0.48 -0.07 -1.16 0.00 0.00 179.01 178.39 1nf4 h LEU 24 N 0.16 0.79 -0.20 1.33 3.38 -0.80 -0.72 115.31 119.26 1nf4 h LEU 24 Ca 0.10 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.11 1nf4 h LEU 24 Cb 0.09 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1nf4 h LEU 24 CO -0.12 0.55 -0.05 -0.74 0.09 0.00 0.00 178.44 178.17 1nf4 h HIS 25 N 0.94 -0.10 -0.67 1.13 2.76 -1.03 -2.30 115.15 115.87 1nf4 h HIS 25 Ca 0.29 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.52 1nf4 h HIS 25 Cb -0.01 0.08 -0.05 0.00 1.55 0.00 0.00 27.41 28.98 1nf4 h HIS 25 CO -0.03 -0.08 0.40 0.00 -1.30 0.00 0.00 177.93 176.92 1nf4 h ALA 26 N 1.20 0.88 -0.16 5.26 0.00 -0.42 0.24 119.26 126.25 1nf4 h ALA 26 Ca 0.10 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1nf4 h ALA 26 Cb 0.14 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1nf4 h ALA 26 CO -0.20 0.13 -0.14 0.82 0.00 0.00 0.00 179.25 179.86 1nf4 h ILE 27 N 0.77 0.61 -0.23 0.00 2.04 -0.90 0.31 117.51 120.11 1nf4 h ILE 27 Ca 0.28 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 66.00 1nf4 h ILE 27 Cb 0.08 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1nf4 h ILE 27 CO -0.13 0.00 -0.44 0.45 0.00 0.00 0.00 178.15 178.03 1nf4 h HIS 28 N -0.16 0.69 -0.21 1.37 3.86 -0.94 -1.69 115.15 118.07 1nf4 h HIS 28 Ca 0.10 -0.21 -0.06 0.00 -1.16 0.00 0.00 60.37 59.04 1nf4 h HIS 28 Cb 0.31 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1nf4 h HIS 28 CO -0.27 0.91 -0.12 0.37 0.86 0.00 0.00 177.93 179.68 1nf4 h GLN 29 N 0.46 0.46 -0.08 2.45 5.75 -0.03 -1.56 115.11 122.56 1nf4 h GLN 29 Ca 0.03 -0.21 -0.15 0.00 -0.15 0.00 0.00 58.65 58.17 1nf4 h GLN 29 Cb 0.95 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.48 1nf4 h GLN 29 CO 0.09 0.75 -0.63 1.88 -2.65 0.00 0.00 178.83 178.27 1nf4 h TYR 30 N 0.15 0.37 -0.06 3.99 0.99 -0.41 -2.53 116.97 119.48 1nf4 h TYR 30 Ca 0.05 -0.15 -0.18 0.00 2.00 0.00 0.00 58.73 60.45 1nf4 h TYR 30 Cb 0.62 -0.06 -0.01 0.00 1.00 0.00 0.00 36.73 38.28 1nf4 h TYR 30 CO 0.07 0.83 -0.74 0.52 -0.00 0.00 0.00 178.16 178.84 1nf4 h MET 31 N 0.21 0.34 -0.43 4.88 2.86 -1.31 -0.58 114.93 120.90 1nf4 h MET 31 Ca -0.01 -0.29 0.05 0.00 -2.06 0.00 0.00 59.70 57.39 1nf4 h MET 31 Cb 1.15 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.83 1nf4 h MET 31 CO 0.10 0.94 0.17 -0.97 1.06 0.00 0.00 176.91 178.20 1nf4 h ASN 32 N 0.23 0.20 -0.22 1.22 -0.73 -1.13 -1.03 115.58 114.11 1nf4 h ASN 32 Ca -0.03 0.04 -0.09 0.00 1.87 0.00 0.00 56.30 58.09 1nf4 h ASN 32 Cb 1.31 0.01 -0.02 0.00 0.27 0.00 0.00 38.32 39.90 1nf4 h ASN 32 CO 0.12 0.15 -0.15 1.56 -0.37 0.00 0.00 177.43 178.74 1nf4 h GLN 33 N 0.35 0.64 -0.77 6.67 4.20 -1.36 -2.73 115.11 122.09 1nf4 h GLN 33 Ca 0.20 -0.21 0.04 0.00 0.06 0.00 0.00 58.65 58.73 1nf4 h GLN 33 Cb 0.17 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 1nf4 h GLN 33 CO -0.18 0.76 0.49 1.25 -0.67 0.00 0.00 178.83 180.47 1nf4 h HIS 34 N 0.58 0.91 -0.61 2.96 2.76 -0.48 -0.28 115.15 120.98 1nf4 h HIS 34 Ca 0.10 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.23 1nf4 h HIS 34 Cb 0.59 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 29.23 1nf4 h HIS 34 CO 0.02 0.50 0.13 1.88 -1.30 0.00 0.00 177.93 179.16 1nf4 h TYR 35 N 0.93 1.01 -0.17 5.26 0.99 -0.92 -1.36 116.97 122.72 1nf4 h TYR 35 Ca 0.32 -0.12 -0.03 0.00 2.00 0.00 0.00 58.73 60.90 1nf4 h TYR 35 Cb 0.06 -0.29 -0.01 0.00 1.00 0.00 0.00 36.73 37.49 1nf4 h TYR 35 CO -0.04 0.85 -0.00 0.77 -0.00 0.00 0.00 178.16 179.74 1nf4 h SER 36 N 0.92 0.30 -0.74 3.88 0.02 -1.25 -1.18 113.55 115.50 1nf4 h SER 36 Ca 0.19 -0.31 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1nf4 h SER 36 Cb 0.36 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 1nf4 h SER 36 CO 0.00 0.54 0.45 -0.07 -1.14 0.00 0.00 176.83 176.62 1nf4 h LEU 37 N 0.05 0.88 -0.47 5.07 3.38 -0.79 0.33 115.31 123.76 1nf4 h LEU 37 Ca 0.05 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1nf4 h LEU 37 Cb 0.39 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1nf4 h LEU 37 CO 0.01 0.68 0.15 0.44 0.09 0.00 0.00 178.44 179.81 1nf4 h ASP 38 N 1.01 0.69 -0.47 -0.43 3.32 -1.30 -1.23 116.42 118.01 1nf4 h ASP 38 Ca 0.27 -0.21 0.02 0.00 0.02 0.00 0.00 57.03 57.13 1nf4 h ASP 38 Cb -0.05 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1nf4 h ASP 38 CO -0.05 0.71 0.31 -0.78 -1.72 0.00 0.00 179.24 177.71 1nf4 h ASP 39 N 0.63 0.48 0.24 6.45 3.58 -0.32 0.21 116.42 127.69 1nf4 h ASP 39 Ca 0.15 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1nf4 h ASP 39 Cb 0.27 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.21 1nf4 h ASP 39 CO -0.00 0.33 -0.06 0.23 -2.88 0.00 0.00 179.24 176.86 1nf4 n MET 40 N -4.47 0.88 -3.42 0.28 2.81 0.11 -4.93 117.12 108.38 1nf4 n MET 40 Ca 0.05 -0.27 -0.17 0.00 -1.81 0.00 0.00 57.70 55.49 1nf4 n MET 40 Cb 0.12 -1.49 0.09 0.00 -0.71 0.00 0.00 33.22 31.22 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 -0.82 -2.56 -3.70 7.83 2.03 0.06 -4.94 116.55 114.45 1nf4 n ASP 41 Ca 0.17 -0.60 -0.34 0.00 0.52 0.00 0.00 54.79 54.55 1nf4 n ASP 41 Cb 0.25 -5.02 -0.04 0.00 -0.72 0.00 0.00 41.12 35.59 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 -4.17 3.12 -0.13 -0.67 0.53 -0.57 -2.05 117.16 113.22 1nf4 n TYR 42 Ca -0.25 -3.52 -0.05 0.00 -1.02 0.00 0.00 57.90 53.06 1nf4 n TYR 42 Cb 0.65 -0.87 0.02 0.00 -1.03 0.00 0.00 39.34 38.10 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 4.79 0.13 1.60 2.72 0.00 -1.69 -0.70 103.07 109.92 1nf4 h GLY 43 Ca 0.20 0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.74 1nf4 h GLY 43 CO 1.04 -0.20 0.09 -2.09 0.00 0.00 0.00 176.54 175.38 1nf4 h GLU 44 N -0.10 0.52 -0.17 4.80 4.81 -1.69 0.30 114.58 123.04 1nf4 h GLU 44 Ca 0.21 -0.08 -0.13 0.00 -0.13 0.00 0.00 59.36 59.23 1nf4 h GLU 44 Cb 0.42 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1nf4 h GLU 44 CO -0.49 0.48 -0.39 -0.07 -0.73 0.00 0.00 179.01 177.81 1nf4 h LEU 45 N 0.51 0.63 -0.58 1.64 3.38 -1.66 -2.38 115.31 116.85 1nf4 h LEU 45 Ca 0.12 -0.57 0.01 0.00 0.09 0.00 0.00 57.88 57.54 1nf4 h LEU 45 Cb 0.19 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1nf4 h LEU 45 CO -0.00 1.08 0.38 0.00 0.09 0.00 0.00 178.44 179.99 1nf4 h ALA 46 N 0.57 0.74 0.23 1.53 0.00 -0.38 -1.45 119.26 120.49 1nf4 h ALA 46 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1nf4 h ALA 46 Cb 0.99 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1nf4 h ALA 46 CO 0.08 0.15 -0.11 0.00 0.00 0.00 0.00 179.25 179.37 1nf4 h ALA 47 N 1.22 -0.31 -0.20 0.00 0.00 -0.42 -1.85 119.26 117.69 1nf4 h ALA 47 Ca 0.22 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1nf4 h ALA 47 Cb -0.06 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1nf4 h ALA 47 CO -0.06 -0.65 -0.11 -0.91 0.00 0.00 0.00 179.25 177.52 1nf4 h ASN 48 N -0.36 0.30 -0.68 0.00 2.35 -1.34 -0.56 115.58 115.30 1nf4 h ASN 48 Ca -0.03 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 1nf4 h ASN 48 Cb 0.27 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 1nf4 h ASN 48 CO 0.05 0.45 0.34 -0.03 -1.65 0.00 0.00 177.43 176.59 1nf4 h MET 49 N 0.31 0.97 -0.38 0.81 4.05 -0.95 -0.69 114.93 119.05 1nf4 h MET 49 Ca 0.06 -0.14 -0.14 0.00 -0.28 0.00 0.00 59.70 59.21 1nf4 h MET 49 Cb 0.38 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 1nf4 h MET 49 CO 0.02 0.76 -0.31 -0.22 0.23 0.00 0.00 176.91 177.39 1nf4 h LYS 50 N 0.94 0.84 -0.42 0.39 3.64 -0.64 -1.83 116.57 119.49 1nf4 h LYS 50 Ca 0.24 -0.39 -0.05 0.00 -1.27 0.00 0.00 60.65 59.17 1nf4 h LYS 50 Cb 0.10 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1nf4 h LYS 50 CO -0.03 1.03 0.05 -0.07 -2.27 0.00 0.00 179.45 178.16 1nf4 h LEU 51 N 0.71 0.60 -0.51 5.20 3.38 -0.67 -1.10 115.31 122.92 1nf4 h LEU 51 Ca 0.08 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 1nf4 h LEU 51 Cb 0.87 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1nf4 h LEU 51 CO 0.08 0.64 -0.53 0.40 0.09 0.00 0.00 178.44 179.11 1nf4 h ILE 52 N 0.62 1.31 -0.30 1.22 2.04 -0.94 -2.00 117.51 119.46 1nf4 h ILE 52 Ca 0.13 -1.76 -0.02 0.00 1.00 0.00 0.00 64.86 64.21 1nf4 h ILE 52 Cb 0.31 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 1nf4 h ILE 52 CO 0.01 0.55 0.08 0.00 0.00 0.00 0.00 178.15 178.79 1nf4 h ALA 53 N 0.95 1.59 -0.11 1.87 0.00 -0.82 -1.28 119.26 121.45 1nf4 h ALA 53 Ca 0.01 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 1nf4 h ALA 53 Cb 1.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1nf4 h ALA 53 CO 0.10 0.32 -0.65 0.82 0.00 0.00 0.00 179.25 179.84 1nf4 h ILE 54 N 0.42 1.36 -0.43 0.00 2.04 -0.94 -0.39 117.51 119.57 1nf4 h ILE 54 Ca 0.10 -1.99 0.06 0.00 1.00 0.00 0.00 64.86 64.04 1nf4 h ILE 54 Cb 0.16 1.97 -0.05 0.00 -0.74 0.00 0.00 36.82 38.15 1nf4 h ILE 54 CO -0.00 0.60 0.11 0.44 0.00 0.00 0.00 178.15 179.30 1nf4 h ASP 55 N 0.32 0.07 -0.27 1.72 3.32 -0.63 -1.29 116.42 119.67 1nf4 h ASP 55 Ca -0.01 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 1nf4 h ASP 55 Cb 1.20 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.80 1nf4 h ASP 55 CO 0.11 0.07 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.34 1nf4 h GLU 56 N 0.26 0.62 -0.53 3.56 4.39 -0.93 -0.69 114.58 121.25 1nf4 h GLU 56 Ca 0.20 -0.16 0.05 0.00 0.34 0.00 0.00 59.36 59.80 1nf4 h GLU 56 Cb 0.23 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.76 1nf4 h GLU 56 CO -0.24 0.66 0.27 0.52 -1.16 0.00 0.00 179.01 179.06 1nf4 h MET 57 N 0.58 0.50 -0.78 2.33 2.86 -0.60 -0.38 114.93 119.43 1nf4 h MET 57 Ca 0.12 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1nf4 h MET 57 Cb 0.42 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.93 1nf4 h MET 57 CO 0.02 0.33 0.34 -0.09 1.06 0.00 0.00 176.91 178.57 1nf4 h ARG 58 N 0.51 1.14 -0.20 1.72 2.43 -0.45 -1.43 114.38 118.10 1nf4 h ARG 58 Ca 0.24 -0.19 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1nf4 h ARG 58 Cb 0.16 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1nf4 h ARG 58 CO -0.17 0.91 0.12 0.45 -1.51 0.00 0.00 179.97 179.76 1nf4 h HIS 59 N 1.11 0.27 -0.95 2.20 3.86 -0.81 0.98 115.15 121.81 1nf4 h HIS 59 Ca 0.26 -0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.56 1nf4 h HIS 59 Cb 0.17 -0.09 -0.07 0.00 1.06 0.00 0.00 27.41 28.48 1nf4 h HIS 59 CO 0.02 0.22 0.59 0.00 0.86 0.00 0.00 177.93 179.62 1nf4 h ALA 60 N 1.02 1.36 -0.12 2.45 0.00 -0.69 -0.56 119.26 122.72 1nf4 h ALA 60 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1nf4 h ALA 60 Cb 0.04 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1nf4 h ALA 60 CO -0.01 0.29 0.02 1.49 0.00 0.00 0.00 179.25 181.04 1nf4 h GLU 61 N 1.02 0.19 -0.58 0.00 4.81 -0.95 -1.86 114.58 117.22 1nf4 h GLU 61 Ca 0.44 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.63 1nf4 h GLU 61 Cb 0.30 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1nf4 h GLU 61 CO -0.22 0.39 0.37 -0.91 -0.73 0.00 0.00 179.01 177.91 1nf4 h ASN 62 N -0.03 0.62 -0.61 1.04 2.35 -0.30 -0.71 115.58 117.94 1nf4 h ASN 62 Ca 0.04 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1nf4 h ASN 62 Cb 0.28 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 1nf4 h ASN 62 CO 0.00 0.44 0.31 -0.26 -1.65 0.00 0.00 177.43 176.28 1nf4 h PHE 63 N 0.74 0.86 -0.57 1.19 0.05 -1.09 -1.84 116.94 116.29 1nf4 h PHE 63 Ca 0.22 -0.03 -0.04 0.00 3.82 0.00 0.00 57.97 61.94 1nf4 h PHE 63 Cb -0.04 -0.27 -0.02 0.00 2.00 0.00 0.00 35.95 37.62 1nf4 h PHE 63 CO -0.05 0.64 0.21 0.00 -0.18 0.00 0.00 178.31 178.94 1nf4 h ALA 64 N 1.14 0.74 -0.72 2.45 0.00 -0.90 0.24 119.26 122.20 1nf4 h ALA 64 Ca 0.21 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1nf4 h ALA 64 Cb 0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1nf4 h ALA 64 CO -0.03 0.37 0.45 0.93 0.00 0.00 0.00 179.25 180.96 1nf4 h GLU 65 N 0.78 0.96 -0.35 0.00 5.08 -0.95 0.40 114.58 120.51 1nf4 h GLU 65 Ca 0.19 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 1nf4 h GLU 65 Cb 0.22 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1nf4 h GLU 65 CO -0.01 0.67 -0.25 -0.09 -1.00 0.00 0.00 179.01 178.32 1nf4 h ARG 66 N 0.98 0.71 -0.83 2.33 9.65 -1.00 -1.69 114.38 124.53 1nf4 h ARG 66 Ca 0.26 -0.29 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 1nf4 h ARG 66 Cb -0.06 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.45 1nf4 h ARG 66 CO -0.05 0.89 0.47 0.82 2.80 0.00 0.00 179.97 184.90 1nf4 h ILE 67 N 0.61 1.24 -0.57 1.20 2.04 -0.23 -2.27 117.51 119.54 1nf4 h ILE 67 Ca 0.08 -0.58 -0.09 0.00 1.00 0.00 0.00 64.86 65.27 1nf4 h ILE 67 Cb 0.75 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1nf4 h ILE 67 CO 0.06 0.26 0.00 0.11 0.00 0.00 0.00 178.15 178.59 1nf4 h LYS 68 N 1.15 0.98 0.00 2.37 1.79 -0.70 0.73 116.57 122.89 1nf4 h LYS 68 Ca 0.29 -0.30 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 1nf4 h LYS 68 Cb 0.01 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.56 1nf4 h LYS 68 CO -0.05 0.97 -0.12 0.93 -1.08 0.00 0.00 179.45 180.10 1nf4 h GLU 69 N 0.90 0.00 -0.02 3.15 5.08 -0.87 -1.84 114.58 120.99 1nf4 h GLU 69 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1nf4 h GLU 69 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1nf4 h GLU 69 CO 0.03 0.12 -0.13 1.28 -1.00 0.00 0.00 179.01 179.30 1nf4 n LEU 70 N -3.77 1.92 0.00 1.33 4.77 -0.89 -4.95 117.00 115.42 1nf4 n LEU 70 Ca -0.02 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 1nf4 n LEU 70 Cb 0.22 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1nf4 n LEU 70 CO 0.31 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1nf4 n GLY 71 N 1.30 0.76 4.01 -0.72 0.00 -0.69 -4.91 105.19 104.94 1nf4 n GLY 71 Ca 0.15 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 1nf4 n GLY 71 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nf4 s GLY 72 N -2.02 1.75 -0.28 -0.02 0.00 0.20 -4.98 107.32 101.97 1nf4 s GLY 72 Ca 0.00 -1.93 -0.07 0.00 0.00 0.00 0.00 44.72 42.73 1nf4 s GLY 72 CO 0.00 -1.43 0.07 1.85 0.00 0.00 0.00 173.10 173.60 1nf4 s GLU 73 N -4.87 3.26 0.11 2.90 2.56 -1.26 -4.09 118.70 117.31 1nf4 s GLU 73 Ca 0.64 -0.75 -0.31 0.00 0.00 0.00 0.00 54.97 54.55 1nf4 s GLU 73 Cb -0.06 -3.35 -0.08 0.00 2.00 0.00 0.00 34.13 32.64 1nf4 s GLU 73 CO 0.41 -0.37 1.50 -2.14 -0.56 0.00 0.00 175.26 174.10 1nf4 s PRO 74 N 1.53 4.26 0.59 4.30 0.02 -1.26 -4.98 135.00 139.46 1nf4 s PRO 74 Ca 0.04 2.21 -0.19 0.00 0.02 0.00 0.00 61.00 63.08 1nf4 s PRO 74 Cb -0.16 -3.30 -0.04 0.00 0.02 0.00 0.00 34.50 31.02 1nf4 s PRO 74 CO 0.03 -0.56 1.18 -0.08 -0.33 0.00 0.00 177.00 177.23 1nf4 s THR 75 N 1.49 2.83 -0.13 0.99 -1.32 -1.26 -4.97 115.64 113.27 1nf4 s THR 75 Ca 0.68 0.50 0.14 0.00 -1.21 0.00 0.00 61.69 61.80 1nf4 s THR 75 Cb -0.39 -3.17 0.24 0.00 -1.51 0.00 0.00 72.50 67.67 1nf4 s THR 75 CO 0.31 -0.13 1.14 0.35 -2.21 0.00 0.00 174.62 174.08 1nf4 n THR 76 N -1.62 1.68 -3.98 5.08 -2.24 -1.26 -4.90 114.28 107.04 1nf4 n THR 76 Ca 0.13 -1.89 -0.35 0.00 -2.27 0.00 0.00 64.05 59.67 1nf4 n THR 76 Cb 0.50 -0.04 -0.09 0.00 -2.10 0.00 0.00 70.33 68.60 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 -2.36 3.90 0.29 -0.78 -1.52 -1.26 -5.10 119.66 112.82 1nf4 s GLN 77 Ca 0.25 -0.31 -0.09 0.00 -1.95 0.00 0.00 55.36 53.26 1nf4 s GLN 77 Cb 0.21 -3.21 -0.07 0.00 -0.22 0.00 0.00 33.01 29.73 1nf4 s GLN 77 CO 0.03 0.35 0.61 -1.59 -0.25 0.00 0.00 175.29 174.44 1nf4 s LYS 78 N 0.16 3.76 0.05 2.91 -2.85 -1.26 -4.32 119.74 118.19 1nf4 s LYS 78 Ca 0.05 0.26 -0.21 0.00 -1.00 0.00 0.00 55.97 55.08 1nf4 s LYS 78 Cb -0.12 -2.58 -0.06 0.00 -2.06 0.00 0.00 37.83 33.01 1nf4 s LYS 78 CO 0.00 0.20 0.62 -2.00 0.10 0.00 0.00 175.35 174.27 1nf4 s GLU 79 N -3.26 4.32 1.48 1.78 -6.30 -0.48 -4.91 118.70 111.33 1nf4 s GLU 79 Ca 0.48 0.81 0.00 0.00 -2.50 0.00 0.00 54.97 53.75 1nf4 s GLU 79 Cb -0.11 -3.30 0.00 0.00 0.00 0.00 0.00 34.13 30.72 1nf4 s GLU 79 CO 0.25 0.48 0.00 0.41 0.02 0.00 0.00 175.26 176.42 1nf4 n GLY 80 N 2.09 -1.70 3.26 -1.50 0.00 -1.26 -4.64 105.19 101.44 1nf4 n GLY 80 Ca -0.08 -1.34 -0.27 0.00 0.00 0.00 0.00 46.02 44.34 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 1.60 0.09 1.61 -0.14 -1.26 -5.07 119.74 116.57 1nf4 s LYS 81 Ca 0.00 -0.91 -0.30 0.00 -1.36 0.00 0.00 55.97 53.40 1nf4 s LYS 81 Cb 0.00 -1.66 -0.05 0.00 -1.68 0.00 0.00 37.83 34.44 1nf4 s LYS 81 CO 0.00 0.44 1.00 0.08 -0.76 0.00 0.00 175.35 176.10 1nf4 s VAL 82 N -0.69 4.48 -0.21 3.17 1.01 -1.26 -5.02 120.40 121.87 1nf4 s VAL 82 Ca 0.09 1.98 -0.17 0.00 0.00 0.00 0.00 61.98 63.88 1nf4 s VAL 82 Cb -0.09 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1nf4 s VAL 82 CO 0.01 0.27 0.44 -0.69 0.00 0.00 0.00 175.10 175.12 1nf4 s VAL 83 N 0.25 5.16 0.35 2.92 1.01 -1.26 -5.08 120.40 123.75 1nf4 s VAL 83 Ca 0.49 0.78 0.08 0.00 0.00 0.00 0.00 61.98 63.33 1nf4 s VAL 83 Cb -0.24 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1nf4 s VAL 83 CO 0.30 0.22 0.20 0.42 0.00 0.00 0.00 175.10 176.24 1nf4 s THR 84 N 1.50 3.07 -0.74 3.92 -4.23 -1.26 -4.70 115.64 113.20 1nf4 s THR 84 Ca 0.20 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 1nf4 s THR 84 Cb -0.15 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.66 1nf4 s THR 84 CO 0.09 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 1nf4 n GLY 85 N -1.24 0.79 3.74 3.99 0.00 -1.26 -5.01 105.19 106.20 1nf4 n GLY 85 Ca -0.02 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.91 4.63 0.91 1.61 -0.21 -1.26 -5.03 119.66 117.39 1nf4 s GLN 86 Ca 0.00 1.69 -0.11 0.00 0.02 0.00 0.00 55.36 56.96 1nf4 s GLN 86 Cb 0.00 -3.27 0.14 0.00 1.00 0.00 0.00 33.01 30.88 1nf4 s GLN 86 CO 0.00 0.14 1.09 0.00 -2.12 0.00 0.00 175.29 174.40 1nf4 s ALA 87 N -0.42 1.41 0.16 6.09 0.00 -1.26 -4.72 121.76 123.03 1nf4 s ALA 87 Ca 0.48 0.03 -0.15 0.00 0.00 0.00 0.00 51.96 52.32 1nf4 s ALA 87 Cb -0.29 -3.23 0.10 0.00 0.00 0.00 0.00 23.12 19.70 1nf4 s ALA 87 CO 0.35 -2.48 1.73 0.28 0.00 0.00 0.00 175.76 175.64 1nf4 h VAL 88 N -1.64 0.82 -0.57 0.00 2.07 -2.00 -1.60 116.25 113.31 1nf4 h VAL 88 Ca -0.49 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1nf4 h VAL 88 Cb 1.28 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1nf4 h VAL 88 CO 0.52 0.04 0.29 -0.65 0.02 0.00 0.00 177.57 177.80 1nf4 h PRO 89 N 0.23 0.79 -0.02 1.57 0.11 -1.98 -2.92 132.00 129.78 1nf4 h PRO 89 Ca 0.19 -0.09 -0.16 0.00 0.11 0.00 0.00 66.00 66.05 1nf4 h PRO 89 Cb 0.22 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.15 1nf4 h PRO 89 CO -0.24 0.60 -0.73 0.28 -0.21 0.00 0.00 178.00 177.71 1nf4 h VAL 90 N 0.79 1.47 -0.28 3.15 2.07 -1.69 -2.23 116.25 119.54 1nf4 h VAL 90 Ca 0.20 -2.35 0.06 0.00 0.82 0.00 0.00 66.70 65.43 1nf4 h VAL 90 Cb 0.06 2.26 -0.05 0.00 -1.52 0.00 0.00 31.29 32.03 1nf4 h VAL 90 CO -0.03 0.68 -0.08 0.40 0.02 0.00 0.00 177.57 178.56 1nf4 h ILE 91 N 0.08 0.69 0.00 4.57 2.04 -1.14 -1.52 117.51 122.22 1nf4 h ILE 91 Ca -0.02 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.64 1nf4 h ILE 91 Cb 1.28 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 1nf4 h ILE 91 CO 0.10 0.00 -0.95 1.88 0.00 0.00 0.00 178.15 179.19 1nf4 h TYR 92 N -0.02 0.00 -0.16 1.37 -1.99 -1.50 -1.11 116.97 113.55 1nf4 h TYR 92 Ca 0.14 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.67 1nf4 h TYR 92 Cb 0.23 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.96 1nf4 h TYR 92 CO -0.28 0.95 -0.70 1.05 -0.00 0.00 0.00 178.16 179.17 1nf4 h GLU 93 N 0.00 0.69 -0.10 4.88 4.11 -1.38 -2.30 114.58 120.48 1nf4 h GLU 93 Ca -0.01 -0.52 -0.18 0.00 0.07 0.00 0.00 59.36 58.72 1nf4 h GLU 93 Cb 1.67 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 31.02 1nf4 h GLU 93 CO 0.12 1.14 -0.68 0.66 0.07 0.00 0.00 179.01 180.32 1nf4 h SER 94 N 0.49 0.51 -0.03 3.06 4.64 -1.25 -2.79 113.55 118.18 1nf4 h SER 94 Ca -0.03 -0.32 -0.14 0.00 -0.47 0.00 0.00 61.79 60.83 1nf4 h SER 94 Cb 1.31 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 1nf4 h SER 94 CO 0.14 1.05 -0.43 0.44 -0.87 0.00 0.00 176.83 177.15 1nf4 h ASP 95 N 0.31 0.60 -0.73 4.97 3.32 -1.21 0.46 116.42 124.14 1nf4 h ASP 95 Ca -0.02 -0.28 -0.06 0.00 0.02 0.00 0.00 57.03 56.69 1nf4 h ASP 95 Cb 1.25 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 1nf4 h ASP 95 CO 0.12 0.96 0.22 0.00 -1.72 0.00 0.00 179.24 178.82 1nf4 h ALA 96 N 1.07 1.01 -0.68 3.45 0.00 -1.45 -0.69 119.26 121.97 1nf4 h ALA 96 Ca 0.03 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1nf4 h ALA 96 Cb 0.94 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1nf4 h ALA 96 CO 0.08 0.66 0.20 -0.44 0.00 0.00 0.00 179.25 179.75 1nf4 h ASP 97 N 1.09 1.01 -0.37 0.00 5.19 -1.19 -1.21 116.42 120.94 1nf4 h ASP 97 Ca 0.24 -0.22 -0.03 0.00 -0.62 0.00 0.00 57.03 56.40 1nf4 h ASP 97 Cb 0.31 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.54 1nf4 h ASP 97 CO -0.01 0.96 0.10 -0.61 -3.12 0.00 0.00 179.24 176.56 1nf4 h GLN 98 N 1.00 0.58 -0.46 3.56 4.15 -0.54 -1.32 115.11 122.08 1nf4 h GLN 98 Ca 0.22 -0.13 -0.06 0.00 0.77 0.00 0.00 58.65 59.45 1nf4 h GLN 98 Cb 0.32 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 1nf4 h GLN 98 CO -0.00 0.60 0.05 0.93 -1.93 0.00 0.00 178.83 178.48 1nf4 h GLU 99 N 0.44 0.77 -0.76 1.69 4.39 -0.97 -0.44 114.58 119.70 1nf4 h GLU 99 Ca 0.12 -0.22 0.05 0.00 0.34 0.00 0.00 59.36 59.64 1nf4 h GLU 99 Cb 0.27 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.79 1nf4 h GLU 99 CO -0.00 0.81 0.46 0.22 -1.16 0.00 0.00 179.01 179.34 1nf4 h ASP 100 N 0.63 0.73 0.27 1.42 1.82 -1.16 -1.39 116.42 118.74 1nf4 h ASP 100 Ca 0.14 0.01 -0.10 0.00 -0.39 0.00 0.00 57.03 56.69 1nf4 h ASP 100 Cb 0.43 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.28 1nf4 h ASP 100 CO 0.01 0.48 -0.39 0.00 -1.61 0.00 0.00 179.24 177.73 1nf4 h ALA 101 N 1.36 1.19 -0.39 -0.78 0.00 -0.89 -2.59 119.26 117.15 1nf4 h ALA 101 Ca 0.33 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1nf4 h ALA 101 Cb 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1nf4 h ALA 101 CO -0.15 0.56 -0.33 1.15 0.00 0.00 0.00 179.25 180.47 1nf4 h THR 102 N 0.15 1.27 -0.58 0.00 2.02 -0.42 -1.11 112.91 114.24 1nf4 h THR 102 Ca 0.01 -1.50 -0.08 0.00 0.77 0.00 0.00 66.41 65.62 1nf4 h THR 102 Cb 0.77 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 1nf4 h THR 102 CO 0.06 0.50 0.07 0.40 0.37 0.00 0.00 175.52 176.92 1nf4 h ILE 103 N 0.74 1.26 -0.34 3.11 2.04 -1.15 0.28 117.51 123.46 1nf4 h ILE 103 Ca 0.07 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 1nf4 h ILE 103 Cb 0.92 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1nf4 h ILE 103 CO 0.09 0.38 0.17 -0.33 0.00 0.00 0.00 178.15 178.46 1nf4 h GLU 104 N 0.88 0.47 -0.61 2.37 4.39 -1.44 0.94 114.58 121.59 1nf4 h GLU 104 Ca 0.17 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.77 1nf4 h GLU 104 Cb 0.46 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 1nf4 h GLU 104 CO 0.02 0.41 0.24 0.00 -1.16 0.00 0.00 179.01 178.52 1nf4 h ALA 105 N 1.03 0.79 -0.08 3.43 0.00 -0.83 -2.80 119.26 120.81 1nf4 h ALA 105 Ca 0.12 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1nf4 h ALA 105 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1nf4 h ALA 105 CO -0.02 0.41 -0.49 1.88 0.00 0.00 0.00 179.25 181.04 1nf4 h TYR 106 N 0.85 0.23 -0.82 0.00 -1.99 -0.14 -0.85 116.97 114.26 1nf4 h TYR 106 Ca 0.20 -0.07 -0.00 0.00 2.00 0.00 0.00 58.73 60.86 1nf4 h TYR 106 Cb 0.21 -0.05 -0.04 0.00 2.00 0.00 0.00 36.73 38.86 1nf4 h TYR 106 CO 0.01 0.64 0.50 0.77 -0.00 0.00 0.00 178.16 180.09 1nf4 h SER 107 N 0.15 0.97 -0.28 3.88 0.02 -0.67 -0.22 113.55 117.41 1nf4 h SER 107 Ca 0.01 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 1nf4 h SER 107 Cb 0.92 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 1nf4 h SER 107 CO 0.07 0.74 0.04 1.56 -1.14 0.00 0.00 176.83 178.11 1nf4 h GLN 108 N 1.12 0.46 -0.89 3.45 4.20 -1.16 -2.47 115.11 119.82 1nf4 h GLN 108 Ca 0.29 -0.12 0.04 0.00 0.06 0.00 0.00 58.65 58.92 1nf4 h GLN 108 Cb -0.06 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.61 1nf4 h GLN 108 CO -0.06 0.57 0.58 0.74 -0.67 0.00 0.00 178.83 180.00 1nf4 h PHE 109 N 0.28 1.07 -0.52 2.96 0.05 -0.88 -1.23 116.94 118.67 1nf4 h PHE 109 Ca 0.08 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.89 1nf4 h PHE 109 Cb 0.34 -0.36 -0.03 0.00 2.00 0.00 0.00 35.95 37.90 1nf4 h PHE 109 CO 0.02 0.62 0.30 1.25 -0.18 0.00 0.00 178.31 180.32 1nf4 h LEU 110 N 1.10 0.62 -0.40 1.54 6.46 -0.87 -2.02 115.31 121.74 1nf4 h LEU 110 Ca 0.35 -0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 58.02 1nf4 h LEU 110 Cb 0.03 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 39.79 1nf4 h LEU 110 CO -0.11 0.49 0.04 0.50 -0.62 0.00 0.00 178.44 178.75 1nf4 h LYS 111 N 0.71 0.67 -0.70 1.25 3.64 -0.77 -2.25 116.57 119.13 1nf4 h LYS 111 Ca 0.19 -0.19 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1nf4 h LYS 111 Cb -0.00 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 1nf4 h LYS 111 CO -0.03 0.74 0.46 0.28 -2.27 0.00 0.00 179.45 178.62 1nf4 h VAL 112 N 0.51 1.17 -0.68 2.00 2.07 -0.83 -0.38 116.25 120.12 1nf4 h VAL 112 Ca 0.12 -0.32 0.05 0.00 0.82 0.00 0.00 66.70 67.36 1nf4 h VAL 112 Cb 0.41 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 1nf4 h VAL 112 CO 0.01 0.17 0.40 0.00 0.02 0.00 0.00 177.57 178.18 1nf4 h LYS 114 N 0.77 1.01 -0.05 0.00 1.57 -0.99 0.32 116.57 119.20 1nf4 h LYS 114 Ca 0.29 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 1nf4 h LYS 114 Cb 0.11 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1nf4 h LYS 114 CO -0.15 0.89 -0.40 0.93 -0.57 0.00 0.00 179.45 180.15 1nf4 h GLU 115 N 0.94 0.11 -0.52 3.15 5.08 -0.19 -2.25 114.58 120.90 1nf4 h GLU 115 Ca 0.21 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1nf4 h GLU 115 Cb 0.29 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1nf4 h GLU 115 CO -0.01 0.50 0.00 1.04 -1.00 0.00 0.00 179.01 179.54 1nf4 n GLN 116 N -4.05 2.22 -2.99 2.33 1.13 0.75 -4.90 117.38 111.88 1nf4 n GLN 116 Ca -0.02 -1.37 -0.21 0.00 -1.94 0.00 0.00 57.00 53.46 1nf4 n GLN 116 Cb 0.45 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.33 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 0.78 -0.43 3.12 1.08 0.00 -0.84 -4.89 105.19 104.00 1nf4 n GLY 117 Ca 0.12 0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.76 5.37 0.19 1.61 -1.08 0.11 -4.92 116.67 115.19 1nf4 s ASP 118 Ca 0.29 -2.79 -0.06 0.00 -0.52 0.00 0.00 52.55 49.47 1nf4 s ASP 118 Cb -0.13 -1.88 0.11 0.00 -1.46 0.00 0.00 42.92 39.56 1nf4 s ASP 118 CO 0.36 -0.40 1.58 0.40 0.52 0.00 0.00 175.17 177.64 1nf4 h ILE 119 N 5.29 1.27 -0.23 4.11 1.08 -1.93 -2.55 117.51 124.56 1nf4 h ILE 119 Ca -0.01 -1.42 -0.05 0.00 -0.39 0.00 0.00 64.86 62.99 1nf4 h ILE 119 Cb 0.96 1.26 -0.01 0.00 -3.07 0.00 0.00 36.82 35.97 1nf4 h ILE 119 CO 0.72 0.47 -0.05 0.58 -0.69 0.00 0.00 178.15 179.18 1nf4 h VAL 120 N 0.71 1.28 -0.38 1.67 2.07 -1.96 -2.35 116.25 117.28 1nf4 h VAL 120 Ca 0.09 -1.03 -0.10 0.00 0.82 0.00 0.00 66.70 66.47 1nf4 h VAL 120 Cb 0.81 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 1nf4 h VAL 120 CO 0.07 0.32 -0.17 0.74 0.02 0.00 0.00 177.57 178.54 1nf4 h THR 121 N 0.18 1.26 -1.01 2.57 2.02 -1.96 -2.12 112.91 113.85 1nf4 h THR 121 Ca 0.06 -1.24 0.02 0.00 0.77 0.00 0.00 66.41 66.02 1nf4 h THR 121 Cb 0.50 1.16 -0.05 0.00 -1.74 0.00 0.00 68.15 68.02 1nf4 h THR 121 CO 0.02 0.41 0.67 0.00 0.37 0.00 0.00 175.52 176.99 1nf4 h ALA 122 N 1.17 1.30 -0.14 6.16 0.00 -1.38 -1.05 119.26 125.31 1nf4 h ALA 122 Ca 0.10 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1nf4 h ALA 122 Cb 0.65 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1nf4 h ALA 122 CO 0.05 0.63 -0.54 -0.09 0.00 0.00 0.00 179.25 179.30 1nf4 h ARG 123 N 1.34 0.41 -0.26 0.00 9.65 -1.24 -1.48 114.38 122.80 1nf4 h ARG 123 Ca 0.38 -0.25 0.01 0.00 -1.10 0.00 0.00 59.98 59.02 1nf4 h ARG 123 Cb -0.11 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.48 1nf4 h ARG 123 CO -0.10 0.84 0.14 1.25 2.80 0.00 0.00 179.97 184.91 1nf4 h LEU 124 N 0.31 0.23 -0.80 3.80 5.85 -0.70 -0.59 115.31 123.41 1nf4 h LEU 124 Ca 0.01 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1nf4 h LEU 124 Cb 1.05 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1nf4 h LEU 124 CO 0.09 0.17 0.39 -0.26 -0.34 0.00 0.00 178.44 178.49 1nf4 h PHE 125 N 0.30 1.15 -0.56 1.25 -1.00 -0.96 -1.51 116.94 115.61 1nf4 h PHE 125 Ca 0.10 -0.06 -0.10 0.00 2.81 0.00 0.00 57.97 60.73 1nf4 h PHE 125 Cb 0.01 -0.36 -0.02 0.00 3.61 0.00 0.00 35.95 39.19 1nf4 h PHE 125 CO -0.08 0.84 -0.03 1.49 -1.61 0.00 0.00 178.31 178.91 1nf4 h GLU 126 N 1.13 1.01 -0.53 1.51 4.81 -1.05 0.10 114.58 121.57 1nf4 h GLU 126 Ca 0.27 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1nf4 h GLU 126 Cb 0.12 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1nf4 h GLU 126 CO -0.03 1.02 0.29 0.00 -0.73 0.00 0.00 179.01 179.55 1nf4 h ARG 127 N 0.89 0.73 -0.24 1.92 3.08 -0.78 -2.61 114.38 117.38 1nf4 h ARG 127 Ca 0.16 -0.09 -0.17 0.00 0.07 0.00 0.00 59.98 59.95 1nf4 h ARG 127 Cb 0.58 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 1nf4 h ARG 127 CO 0.03 0.57 -0.52 0.82 -1.07 0.00 0.00 179.97 179.80 1nf4 h ILE 128 N 0.70 1.30 -0.80 2.04 2.04 -0.99 -2.84 117.51 118.96 1nf4 h ILE 128 Ca 0.18 -1.74 0.08 0.00 1.00 0.00 0.00 64.86 64.38 1nf4 h ILE 128 Cb 0.05 1.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.75 1nf4 h ILE 128 CO -0.03 0.55 0.52 0.40 0.00 0.00 0.00 178.15 179.60 1nf4 h ILE 129 N 0.54 1.00 -0.37 -0.67 2.04 -0.74 0.16 117.51 119.47 1nf4 h ILE 129 Ca 0.02 -0.28 -0.09 0.00 1.00 0.00 0.00 64.86 65.51 1nf4 h ILE 129 Cb 1.09 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1nf4 h ILE 129 CO 0.11 0.15 -0.14 -0.33 0.00 0.00 0.00 178.15 177.93 1nf4 h GLU 130 N 0.82 0.67 -0.25 2.37 5.08 -1.23 -1.06 114.58 120.98 1nf4 h GLU 130 Ca 0.36 -0.23 -0.17 0.00 -1.00 0.00 0.00 59.36 58.32 1nf4 h GLU 130 Cb 0.32 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1nf4 h GLU 130 CO -0.13 0.79 -0.52 0.93 -1.00 0.00 0.00 179.01 179.08 1nf4 h GLU 131 N 0.61 0.71 -0.35 2.33 5.08 -0.92 -2.91 114.58 119.12 1nf4 h GLU 131 Ca 0.10 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1nf4 h GLU 131 Cb 0.59 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1nf4 h GLU 131 CO 0.04 1.05 0.17 0.93 -1.00 0.00 0.00 179.01 180.20 1nf4 h GLU 132 N 0.55 0.48 -0.57 2.33 4.39 -0.37 -1.21 114.58 120.18 1nf4 h GLU 132 Ca 0.02 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 1nf4 h GLU 132 Cb 1.09 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.61 1nf4 h GLU 132 CO 0.11 0.37 0.19 0.37 -1.16 0.00 0.00 179.01 178.89 1nf4 h GLN 133 N 0.49 0.84 -0.53 2.33 5.75 -1.03 -0.40 115.11 122.55 1nf4 h GLN 133 Ca 0.13 -0.15 -0.12 0.00 -0.15 0.00 0.00 58.65 58.36 1nf4 h GLN 133 Cb 0.05 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 1nf4 h GLN 133 CO -0.02 0.72 -0.13 0.00 -2.65 0.00 0.00 178.83 176.76 1nf4 h ALA 134 N 1.38 0.73 -0.59 3.38 0.00 -1.06 -1.89 119.26 121.20 1nf4 h ALA 134 Ca 0.19 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1nf4 h ALA 134 Cb 0.23 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1nf4 h ALA 134 CO -0.01 0.66 0.32 0.45 0.00 0.00 0.00 179.25 180.67 1nf4 h HIS 135 N 0.90 0.82 0.14 0.00 3.86 -0.84 -2.43 115.15 117.60 1nf4 h HIS 135 Ca 0.13 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1nf4 h HIS 135 Cb 0.70 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 1nf4 h HIS 135 CO 0.05 0.59 -0.13 1.25 0.86 0.00 0.00 177.93 180.55 1nf4 h LEU 136 N 0.80 -0.35 -0.69 2.43 5.85 -0.91 -1.66 115.31 120.77 1nf4 h LEU 136 Ca 0.21 0.03 0.06 0.00 0.84 0.00 0.00 57.88 59.02 1nf4 h LEU 136 Cb 0.05 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1nf4 h LEU 136 CO -0.03 -0.20 0.40 0.74 -0.34 0.00 0.00 178.44 179.00 1nf4 h THR 137 N -0.30 0.99 -0.01 1.05 2.02 -1.27 -0.61 112.91 114.78 1nf4 h THR 137 Ca 0.00 -0.25 0.02 0.00 0.77 0.00 0.00 66.41 66.95 1nf4 h THR 137 Cb 0.28 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1nf4 h THR 137 CO -0.03 0.13 -0.09 0.22 0.37 0.00 0.00 175.52 176.12 1nf4 h TYR 138 N 0.73 -0.23 -0.36 3.16 3.20 -1.13 -0.44 116.97 121.90 1nf4 h TYR 138 Ca 0.31 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.08 1nf4 h TYR 138 Cb 0.17 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 1nf4 h TYR 138 CO -0.07 -0.14 -0.20 1.88 -1.64 0.00 0.00 178.16 177.98 1nf4 h TYR 139 N -0.16 0.77 -0.58 -3.82 0.99 -0.84 -1.95 116.97 111.38 1nf4 h TYR 139 Ca 0.04 -0.16 -0.05 0.00 2.00 0.00 0.00 58.73 60.56 1nf4 h TYR 139 Cb 0.21 -0.19 -0.02 0.00 1.00 0.00 0.00 36.73 37.72 1nf4 h TYR 139 CO -0.16 0.84 0.19 0.93 -0.00 0.00 0.00 178.16 179.95 1nf4 h GLU 140 N 0.61 0.91 -0.14 4.88 5.08 -0.89 -1.25 114.58 123.77 1nf4 h GLU 140 Ca 0.09 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1nf4 h GLU 140 Cb 0.68 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1nf4 h GLU 140 CO 0.05 0.81 0.04 -0.91 -1.00 0.00 0.00 179.01 178.00 1nf4 h ASN 141 N 0.82 0.20 -0.09 1.42 2.35 -0.82 0.04 115.58 119.51 1nf4 h ASN 141 Ca 0.19 -0.21 0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1nf4 h ASN 141 Cb 0.28 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 1nf4 h ASN 141 CO -0.01 0.36 -0.01 0.40 -1.65 0.00 0.00 177.43 176.52 1nf4 h ILE 142 N 0.03 0.92 -0.96 2.81 1.08 -1.29 -1.60 117.51 118.51 1nf4 h ILE 142 Ca 0.04 -0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.56 1nf4 h ILE 142 Cb 0.23 0.91 -0.06 0.00 -3.07 0.00 0.00 36.82 34.83 1nf4 h ILE 142 CO -0.00 0.00 0.63 1.23 -0.69 0.00 0.00 178.15 179.32 1nf4 h GLY 143 N 0.01 1.42 0.90 5.37 0.00 -1.17 -0.65 103.07 108.96 1nf4 h GLY 143 Ca 0.04 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 46.94 1nf4 h GLY 143 CO -0.08 0.36 0.39 0.23 0.00 0.00 0.00 176.54 177.43 1nf4 h SER 144 N 1.15 0.64 -0.38 0.19 0.87 -0.58 -0.61 113.55 114.82 1nf4 h SER 144 Ca 0.40 -0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.85 1nf4 h SER 144 Cb 0.12 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 1nf4 h SER 144 CO -0.14 0.45 -0.14 0.45 -0.53 0.00 0.00 176.83 176.92 1nf4 h HIS 145 N 0.77 0.94 -0.25 2.24 -0.00 -0.19 -1.01 115.15 117.65 1nf4 h HIS 145 Ca 0.25 -0.19 -0.06 0.00 -0.00 0.00 0.00 60.37 60.37 1nf4 h HIS 145 Cb -0.00 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.17 1nf4 h HIS 145 CO -0.05 0.93 -0.06 0.82 -0.00 0.00 0.00 177.93 179.57 1nf4 h ILE 146 N 0.75 1.28 -0.54 2.45 2.04 -1.03 0.28 117.51 122.74 1nf4 h ILE 146 Ca 0.12 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 1nf4 h ILE 146 Cb 0.65 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 1nf4 h ILE 146 CO 0.05 0.33 0.30 0.11 0.00 0.00 0.00 178.15 178.94 1nf4 h LYS 147 N 0.23 0.74 0.00 2.37 1.57 -0.96 -1.77 116.57 118.75 1nf4 h LYS 147 Ca 0.06 -0.08 -0.21 0.00 -1.87 0.00 0.00 60.65 58.56 1nf4 h LYS 147 Cb 0.52 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 1nf4 h LYS 147 CO 0.02 0.56 -1.48 -0.91 -0.57 0.00 0.00 179.45 177.08 1nf4 h ASN 148 N 0.72 0.00 0.00 0.86 -0.26 -1.15 -3.41 115.58 112.34 1nf4 h ASN 148 Ca 0.19 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.93 1nf4 h ASN 148 Cb 0.03 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.29 1nf4 h ASN 148 CO -0.03 0.71 -0.28 0.18 -1.06 0.00 0.00 177.43 176.95 1nf4 n LEU 149 N -2.95 0.00 0.00 1.61 4.77 0.95 -5.07 117.00 116.30 1nf4 n LEU 149 Ca -0.11 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 1nf4 n LEU 149 Cb 0.90 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 1nf4 n LEU 149 CO 0.44 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1nf4 n GLY 150 N 1.10 2.28 0.33 -0.72 0.00 -0.66 -3.10 105.19 104.41 1nf4 n GLY 150 Ca 0.00 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.27 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 0.61 -0.45 1.61 5.19 -1.93 0.49 116.42 121.95 1nf4 h ASP 151 Ca 0.00 0.11 -0.04 0.00 -0.62 0.00 0.00 57.03 56.48 1nf4 h ASP 151 Cb 0.00 0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.50 1nf4 h ASP 151 CO 0.00 0.18 0.14 0.74 -3.12 0.00 0.00 179.24 177.18 1nf4 h THR 152 N 0.62 1.21 -0.13 0.35 2.02 -1.97 0.34 112.91 115.35 1nf4 h THR 152 Ca 0.56 -0.73 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 1nf4 h THR 152 Cb 0.93 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1nf4 h THR 152 CO -0.42 0.27 -0.08 0.22 0.37 0.00 0.00 175.52 175.88 1nf4 h TYR 153 N 0.74 0.34 0.00 3.16 3.20 -1.05 -3.06 116.97 120.29 1nf4 h TYR 153 Ca 0.17 -0.09 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 1nf4 h TYR 153 Cb 0.25 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1nf4 h TYR 153 CO 0.01 0.65 -0.26 -0.07 -1.64 0.00 0.00 178.16 176.85 1nf4 h LEU 154 N -0.07 0.00 -1.47 2.82 3.38 -0.81 -1.89 115.31 117.27 1nf4 h LEU 154 Ca 0.03 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.07 1nf4 h LEU 154 Cb 0.57 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1nf4 h LEU 154 CO 0.02 0.26 0.44 0.00 0.09 0.00 0.00 178.44 179.25 1nf4 h ALA 155 N 1.74 1.80 0.00 1.53 0.00 -0.24 -0.64 119.26 123.45 1nf4 h ALA 155 Ca -0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1nf4 h ALA 155 Cb 0.47 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1nf4 h ALA 155 CO 0.03 0.09 -0.60 -0.22 0.00 0.00 0.00 179.25 178.55 1nf4 h LYS 156 N 0.63 0.00 0.00 0.00 3.64 -1.32 -3.14 116.57 116.38 1nf4 h LYS 156 Ca 0.29 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.44 1nf4 h LYS 156 Cb 0.32 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 1nf4 h LYS 156 CO -0.09 0.60 -1.15 0.82 -2.27 0.00 0.00 179.45 177.36 1nf4 h ILE 157 N 0.00 1.48 -2.09 2.00 1.08 -1.28 -3.44 117.51 115.26 1nf4 h ILE 157 Ca -0.01 -3.22 -0.61 0.00 -0.39 0.00 0.00 64.86 60.63 1nf4 h ILE 157 Cb 1.11 2.73 0.04 0.00 -3.07 0.00 0.00 36.82 37.64 1nf4 h ILE 157 CO 0.08 0.85 0.84 0.00 -0.69 0.00 0.00 178.15 179.22 1nf4 n ALA 158 N -2.39 0.83 -0.94 1.87 0.00 -0.35 -1.70 120.51 117.84 1nf4 n ALA 158 Ca -0.04 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1nf4 n ALA 158 Cb 0.96 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 18.06 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 3.60 0.66 3.67 0.00 0.00 -0.87 -4.99 105.19 107.25 1nf4 n GLY 159 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.83 2.46 0.59 2.61 -4.23 -0.69 -4.93 115.64 108.62 1nf4 s THR 160 Ca 0.00 0.15 -0.20 0.00 -1.18 0.00 0.00 61.69 60.46 1nf4 s THR 160 Cb 0.00 -2.37 -0.03 0.00 1.34 0.00 0.00 72.50 71.44 1nf4 s THR 160 CO 0.00 -0.19 1.31 -2.84 -0.54 0.00 0.00 174.62 172.36 1nf4 s PRO 161 N -4.73 2.89 0.00 3.99 0.02 -1.26 -3.89 135.00 132.02 1nf4 s PRO 161 Ca 0.65 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.78 1nf4 s PRO 161 Cb -0.21 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.26 1nf4 s PRO 161 CO 0.58 -1.35 0.75 -1.13 -0.33 0.00 0.00 177.00 175.53 1nf4 n SER 162 N -1.44 1.46 -4.77 2.53 3.41 -1.26 -2.42 113.62 111.14 1nf4 n SER 162 Ca 0.13 -1.53 -0.40 0.00 -0.26 0.00 0.00 58.87 56.81 1nf4 n SER 162 Cb 0.47 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.42 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 -0.53 6.28 -0.14 4.04 0.15 -1.26 -4.29 113.70 117.96 1nf4 s SER 163 Ca 0.00 2.77 0.15 0.00 0.70 0.00 0.00 55.95 59.57 1nf4 s SER 163 Cb 0.00 -2.65 0.53 0.00 -1.71 0.00 0.00 66.02 62.20 1nf4 s SER 163 CO 0.00 -0.88 1.44 0.35 1.20 0.00 0.00 173.24 175.35 1nf4 n THR 164 N 0.19 2.00 0.00 6.45 -2.24 -1.26 -4.93 114.28 114.50 1nf4 n THR 164 Ca 0.03 -1.56 0.00 0.00 -2.27 0.00 0.00 64.05 60.25 1nf4 n THR 164 Cb 0.42 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 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 0.03 -1.63 3.53 3.38 0.00 -1.26 -5.01 105.19 104.23 1nf4 n GLY 165 Ca 0.20 -2.19 -0.47 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.25 1.64 -1.88 2.61 5.66 -1.26 -4.87 114.28 115.93 1nf4 n THR 166 Ca 0.00 -0.41 -0.38 0.00 -3.05 0.00 0.00 64.05 60.21 1nf4 n THR 166 Cb 0.00 -0.63 0.04 0.00 -1.55 0.00 0.00 70.33 68.19 1nf4 n THR 166 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nf4 s ALA 167 N -0.78 2.75 -0.52 1.79 0.00 -1.26 -4.86 121.76 118.88 1nf4 s ALA 167 Ca 0.65 1.22 -0.38 0.00 0.00 0.00 0.00 51.96 53.45 1nf4 s ALA 167 Cb -0.83 -3.52 -0.16 0.00 0.00 0.00 0.00 23.12 18.61 1nf4 s ALA 167 CO 0.57 -1.26 2.25 -1.13 0.00 0.00 0.00 175.76 176.19 1nf4 n SER 168 N -1.12 1.23 -4.60 0.00 3.41 -1.26 -4.87 113.62 106.41 1nf4 n SER 168 Ca 0.11 0.46 -0.45 0.00 -0.26 0.00 0.00 58.87 58.73 1nf4 n SER 168 Cb 0.46 -1.06 -0.04 0.00 -0.26 0.00 0.00 64.21 63.31 1nf4 n SER 168 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1nf4 n LYS 169 N 7.96 2.03 -1.34 4.33 2.85 -1.26 -4.91 118.16 127.82 1nf4 n LYS 169 Ca 0.51 0.64 0.00 0.00 -1.05 0.00 0.00 58.31 58.41 1nf4 n LYS 169 Cb 0.09 -2.98 0.00 0.00 -0.65 0.00 0.00 35.03 31.49 1nf4 n LYS 169 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1nf4 n GLY 170 N 5.45 4.47 0.07 2.58 0.00 -1.26 -5.09 105.19 111.40 1nf4 n GLY 170 Ca 0.29 -2.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 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 0.59 0.00 0.00 1.61 3.57 -2.06 -3.56 116.94 117.09 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 0.77 0.00 1.33 -2.23 0.00 0.00 178.31 178.18