#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nf4 s ASN 4 N 0.00 3.99 0.13 1.61 6.03 -1.26 -4.88 114.94 120.56 1nf4 s ASN 4 Ca 0.00 -0.40 -0.20 0.00 -1.03 0.00 0.00 52.86 51.23 1nf4 s ASN 4 Cb 0.00 0.17 -0.04 0.00 -3.03 0.00 0.00 41.25 38.35 1nf4 s ASN 4 CO 0.00 -2.12 1.72 0.03 -2.03 0.00 0.00 177.10 174.70 1nf4 h ARG 5 N -0.77 0.05 -0.49 3.55 2.47 -2.01 -2.21 114.38 114.97 1nf4 h ARG 5 Ca -0.36 -0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.26 1nf4 h ARG 5 Cb 1.25 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.54 1nf4 h ARG 5 CO 0.36 0.03 -0.07 0.93 0.56 0.00 0.00 179.97 181.78 1nf4 h GLU 6 N 0.05 0.87 -0.61 0.04 3.07 -2.00 -2.74 114.58 113.27 1nf4 h GLU 6 Ca 0.09 -0.29 -0.09 0.00 -0.50 0.00 0.00 59.36 58.57 1nf4 h GLU 6 Cb 0.11 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 1nf4 h GLU 6 CO -0.16 0.92 0.01 0.22 -1.40 0.00 0.00 179.01 178.60 1nf4 h ASP 7 N 0.79 1.04 -0.44 1.42 3.58 -1.91 -1.22 116.42 119.68 1nf4 h ASP 7 Ca 0.14 -0.30 -0.01 0.00 0.42 0.00 0.00 57.03 57.27 1nf4 h ASP 7 Cb 0.58 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 1nf4 h ASP 7 CO 0.04 1.08 0.21 0.03 -2.88 0.00 0.00 179.24 177.72 1nf4 h ARG 8 N 0.96 0.63 -0.16 0.28 3.08 -1.19 -0.09 114.38 117.89 1nf4 h ARG 8 Ca 0.17 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 1nf4 h ARG 8 Cb 0.54 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1nf4 h ARG 8 CO 0.03 0.53 0.09 0.87 -1.07 0.00 0.00 179.97 180.42 1nf4 h LYS 9 N 0.56 0.22 -0.51 0.04 1.57 -1.40 -1.72 116.57 115.34 1nf4 h LYS 9 Ca 0.15 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 59.00 1nf4 h LYS 9 Cb 0.11 -0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.30 1nf4 h LYS 9 CO -0.02 0.21 0.05 0.00 -0.57 0.00 0.00 179.45 179.12 1nf4 h ALA 10 N 1.00 0.53 -0.35 3.86 0.00 -0.87 0.73 119.26 124.17 1nf4 h ALA 10 Ca 0.06 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1nf4 h ALA 10 Cb 0.04 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1nf4 h ALA 10 CO -0.01 -0.35 -0.19 0.87 0.00 0.00 0.00 179.25 179.57 1nf4 h LYS 11 N 0.18 0.65 -0.16 0.00 1.57 -0.83 -1.05 116.57 116.93 1nf4 h LYS 11 Ca 0.26 -0.23 -0.20 0.00 -1.87 0.00 0.00 60.65 58.61 1nf4 h LYS 11 Cb 0.37 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.65 1nf4 h LYS 11 CO -0.38 0.80 -0.66 0.28 -0.57 0.00 0.00 179.45 178.92 1nf4 h VAL 12 N 0.58 1.30 -0.15 0.50 2.07 -0.49 -3.04 116.25 117.02 1nf4 h VAL 12 Ca 0.09 -1.89 0.01 0.00 0.82 0.00 0.00 66.70 65.73 1nf4 h VAL 12 Cb 0.64 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 1nf4 h VAL 12 CO 0.05 0.59 0.10 0.40 0.02 0.00 0.00 177.57 178.73 1nf4 h ILE 13 N 0.44 1.02 -0.27 4.57 2.04 0.69 -1.64 117.51 124.36 1nf4 h ILE 13 Ca -0.04 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 1nf4 h ILE 13 Cb 1.29 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1nf4 h ILE 13 CO 0.14 0.03 0.02 -0.08 0.00 0.00 0.00 178.15 178.26 1nf4 h GLU 14 N 0.17 0.47 0.00 2.37 4.81 -1.11 -2.27 114.58 119.02 1nf4 h GLU 14 Ca 0.06 -0.14 -0.13 0.00 -0.13 0.00 0.00 59.36 59.02 1nf4 h GLU 14 Cb 0.01 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1nf4 h GLU 14 CO -0.01 0.61 -0.63 -0.39 -0.73 0.00 0.00 179.01 177.85 1nf4 h VAL 15 N 0.27 1.41 -0.39 0.32 -1.51 -1.28 -2.54 116.25 112.52 1nf4 h VAL 15 Ca 0.08 -2.20 -0.07 0.00 -1.23 0.00 0.00 66.70 63.28 1nf4 h VAL 15 Cb 0.38 2.20 -0.02 0.00 -2.13 0.00 0.00 31.29 31.72 1nf4 h VAL 15 CO 0.01 0.62 -0.05 -0.07 -1.23 0.00 0.00 177.57 176.85 1nf4 h LEU 16 N 0.00 0.62 -0.33 4.19 3.38 -1.28 -0.27 115.31 121.62 1nf4 h LEU 16 Ca -0.01 -0.15 -0.17 0.00 0.09 0.00 0.00 57.88 57.64 1nf4 h LEU 16 Cb 1.15 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1nf4 h LEU 16 CO 0.08 0.72 -0.82 0.78 0.09 0.00 0.00 178.44 179.30 1nf4 h ASN 17 N 0.60 0.00 -0.28 -0.43 2.35 -1.29 0.48 115.58 117.01 1nf4 h ASN 17 Ca 0.12 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.80 1nf4 h ASN 17 Cb 0.45 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 1nf4 h ASN 17 CO 0.02 0.82 -0.08 0.11 -1.65 0.00 0.00 177.43 176.65 1nf4 h LYS 18 N 0.00 0.56 -0.46 0.81 1.57 -1.07 -0.14 116.57 117.85 1nf4 h LYS 18 Ca -0.01 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 1nf4 h LYS 18 Cb 1.47 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.73 1nf4 h LYS 18 CO 0.11 0.77 0.25 0.00 -0.57 0.00 0.00 179.45 180.01 1nf4 h ALA 19 N 0.77 0.58 -0.61 3.86 0.00 -1.01 -1.71 119.26 121.14 1nf4 h ALA 19 Ca 0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1nf4 h ALA 19 Cb 0.57 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1nf4 h ALA 19 CO 0.03 0.10 0.20 -0.09 0.00 0.00 0.00 179.25 179.49 1nf4 h ARG 20 N 0.60 0.92 -0.40 0.00 2.43 -0.76 0.68 114.38 117.85 1nf4 h ARG 20 Ca 0.16 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1nf4 h ARG 20 Cb 0.04 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1nf4 h ARG 20 CO -0.03 0.78 0.12 0.00 -1.51 0.00 0.00 179.97 179.34 1nf4 h ALA 21 N 1.33 1.47 -0.34 2.80 0.00 -0.66 0.48 119.26 124.33 1nf4 h ALA 21 Ca 0.20 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1nf4 h ALA 21 Cb 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1nf4 h ALA 21 CO -0.01 0.40 -0.30 0.52 0.00 0.00 0.00 179.25 179.85 1nf4 h MET 22 N 0.57 0.81 -0.68 0.00 2.86 -0.33 0.77 114.93 118.92 1nf4 h MET 22 Ca 0.14 -0.41 -0.03 0.00 -2.06 0.00 0.00 59.70 57.33 1nf4 h MET 22 Cb 0.17 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 1nf4 h MET 22 CO -0.01 1.04 0.30 0.93 1.06 0.00 0.00 176.91 180.24 1nf4 h GLU 23 N 0.59 1.00 -0.48 1.72 4.39 -0.09 -1.43 114.58 120.27 1nf4 h GLU 23 Ca 0.06 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1nf4 h GLU 23 Cb 0.88 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 1nf4 h GLU 23 CO 0.08 0.81 0.20 -0.07 -1.16 0.00 0.00 179.01 178.86 1nf4 h LEU 24 N 0.95 0.62 -0.03 1.33 3.38 -0.92 -1.14 115.31 119.50 1nf4 h LEU 24 Ca 0.23 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1nf4 h LEU 24 Cb 0.16 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1nf4 h LEU 24 CO -0.02 0.55 0.01 -0.74 0.09 0.00 0.00 178.44 178.32 1nf4 h HIS 25 N 0.68 0.04 -0.85 1.13 2.76 -0.93 -2.97 115.15 115.01 1nf4 h HIS 25 Ca 0.17 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.39 1nf4 h HIS 25 Cb 0.12 -0.01 -0.06 0.00 1.55 0.00 0.00 27.41 29.01 1nf4 h HIS 25 CO 0.01 0.25 0.52 0.00 -1.30 0.00 0.00 177.93 177.41 1nf4 h ALA 26 N 0.79 1.17 -0.02 5.26 0.00 -0.89 -0.33 119.26 125.23 1nf4 h ALA 26 Ca 0.01 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1nf4 h ALA 26 Cb 0.23 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1nf4 h ALA 26 CO -0.00 0.26 -0.20 0.82 0.00 0.00 0.00 179.25 180.13 1nf4 h ILE 27 N 0.95 0.52 -0.39 0.00 2.04 -1.20 0.19 117.51 119.62 1nf4 h ILE 27 Ca 0.37 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 66.10 1nf4 h ILE 27 Cb 0.18 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1nf4 h ILE 27 CO -0.18 0.00 -0.29 0.45 0.00 0.00 0.00 178.15 178.13 1nf4 h HIS 28 N -0.31 0.96 0.00 1.37 3.86 -1.30 -0.41 115.15 119.33 1nf4 h HIS 28 Ca 0.07 -0.25 -0.00 0.00 -1.16 0.00 0.00 60.37 59.03 1nf4 h HIS 28 Cb 0.39 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.65 1nf4 h HIS 28 CO -0.26 1.02 -0.00 0.37 0.86 0.00 0.00 177.93 179.92 1nf4 h GLN 29 N 0.71 -0.00 -0.50 2.45 5.75 -0.90 -0.63 115.11 121.98 1nf4 h GLN 29 Ca 0.08 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.52 1nf4 h GLN 29 Cb 0.84 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.37 1nf4 h GLN 29 CO 0.07 0.24 0.09 1.88 -2.65 0.00 0.00 178.83 178.46 1nf4 h TYR 30 N -0.24 0.88 -0.07 3.99 0.99 -0.64 -2.48 116.97 119.39 1nf4 h TYR 30 Ca -0.00 -0.12 -0.09 0.00 2.00 0.00 0.00 58.73 60.52 1nf4 h TYR 30 Cb 0.24 -0.24 -0.01 0.00 1.00 0.00 0.00 36.73 37.72 1nf4 h TYR 30 CO 0.01 0.80 -0.39 0.52 -0.00 0.00 0.00 178.16 179.10 1nf4 h MET 31 N 0.71 0.15 -0.47 4.88 2.86 -1.05 -0.00 114.93 122.01 1nf4 h MET 31 Ca 0.15 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1nf4 h MET 31 Cb 0.39 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 1nf4 h MET 31 CO 0.01 0.52 0.30 -0.97 1.06 0.00 0.00 176.91 177.83 1nf4 h ASN 32 N 0.13 0.50 0.24 1.22 -0.73 -0.88 -1.14 115.58 114.93 1nf4 h ASN 32 Ca 0.01 -0.01 -0.10 0.00 1.87 0.00 0.00 56.30 58.07 1nf4 h ASN 32 Cb 0.75 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 39.21 1nf4 h ASN 32 CO 0.06 0.36 -0.40 1.56 -0.37 0.00 0.00 177.43 178.64 1nf4 h GLN 33 N 0.60 0.22 -0.45 6.67 4.20 -1.12 -2.54 115.11 122.69 1nf4 h GLN 33 Ca 0.18 -0.10 0.02 0.00 0.06 0.00 0.00 58.65 58.81 1nf4 h GLN 33 Cb -0.03 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 1nf4 h GLN 33 CO -0.06 0.59 0.26 1.25 -0.67 0.00 0.00 178.83 180.20 1nf4 h HIS 34 N 0.19 0.48 -0.61 2.96 2.76 -0.63 0.92 115.15 121.21 1nf4 h HIS 34 Ca 0.02 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 1nf4 h HIS 34 Cb 0.79 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.57 1nf4 h HIS 34 CO 0.01 0.27 0.30 1.88 -1.30 0.00 0.00 177.93 179.09 1nf4 h TYR 35 N 0.51 0.84 -0.18 5.26 0.99 -0.82 0.50 116.97 124.08 1nf4 h TYR 35 Ca 0.18 -0.02 -0.14 0.00 2.00 0.00 0.00 58.73 60.76 1nf4 h TYR 35 Cb 0.04 -0.27 0.00 0.00 1.00 0.00 0.00 36.73 37.50 1nf4 h TYR 35 CO -0.08 0.61 -0.42 0.77 -0.00 0.00 0.00 178.16 179.05 1nf4 h SER 36 N 0.85 0.67 -0.77 3.88 0.02 -1.09 -1.12 113.55 115.99 1nf4 h SER 36 Ca 0.21 -0.57 -0.04 0.00 -0.84 0.00 0.00 61.79 60.56 1nf4 h SER 36 Cb 0.08 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.39 1nf4 h SER 36 CO -0.03 1.12 0.35 -0.07 -1.14 0.00 0.00 176.83 177.05 1nf4 h LEU 37 N 0.26 1.04 -0.76 5.07 3.38 -0.50 0.24 115.31 124.03 1nf4 h LEU 37 Ca -0.00 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1nf4 h LEU 37 Cb 1.03 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 1nf4 h LEU 37 CO 0.09 0.90 0.10 -0.78 0.09 0.00 0.00 178.44 178.84 1nf4 h ASP 38 N 1.12 0.99 -0.72 -0.43 1.82 -0.91 -1.47 116.42 116.82 1nf4 h ASP 38 Ca 0.27 -0.23 -0.04 0.00 -0.39 0.00 0.00 57.03 56.64 1nf4 h ASP 38 Cb 0.16 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 39.87 1nf4 h ASP 38 CO -0.03 0.99 0.30 -0.78 -1.61 0.00 0.00 179.24 178.12 1nf4 h ASP 39 N 0.97 0.99 0.83 2.28 3.58 -0.11 -1.98 116.42 122.99 1nf4 h ASP 39 Ca 0.19 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1nf4 h ASP 39 Cb 0.43 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.22 1nf4 h ASP 39 CO 0.01 0.88 0.00 0.23 -2.88 0.00 0.00 179.24 177.48 1nf4 n MET 40 N -4.29 0.03 -3.08 0.28 2.81 0.73 -4.90 117.12 108.70 1nf4 n MET 40 Ca 0.07 0.13 -0.13 0.00 -1.81 0.00 0.00 57.70 55.96 1nf4 n MET 40 Cb 0.17 -1.54 0.05 0.00 -0.71 0.00 0.00 33.22 31.19 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 -1.59 -4.03 -4.11 7.83 2.03 -0.64 -4.89 116.55 111.14 1nf4 n ASP 41 Ca 0.05 -0.33 -0.40 0.00 0.52 0.00 0.00 54.79 54.63 1nf4 n ASP 41 Cb 0.28 -3.17 -0.02 0.00 -0.72 0.00 0.00 41.12 37.48 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 -3.73 4.08 0.02 -0.67 0.53 -0.68 -0.59 117.16 116.12 1nf4 n TYR 42 Ca -0.03 -3.66 -0.14 0.00 -1.02 0.00 0.00 57.90 53.04 1nf4 n TYR 42 Cb 0.55 -1.33 -0.08 0.00 -1.03 0.00 0.00 39.34 37.44 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 5.94 -0.94 0.62 2.72 0.00 -1.65 0.09 103.07 109.86 1nf4 h GLY 43 Ca 0.18 0.60 0.09 0.00 0.00 0.00 0.00 47.33 48.20 1nf4 h GLY 43 CO 1.04 -0.23 0.64 -2.09 0.00 0.00 0.00 176.54 175.91 1nf4 h GLU 44 N -0.59 1.06 -0.31 4.80 4.81 -1.74 -0.20 114.58 122.41 1nf4 h GLU 44 Ca 0.04 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 1nf4 h GLU 44 Cb 0.68 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1nf4 h GLU 44 CO -0.39 0.70 -0.24 -0.07 -0.73 0.00 0.00 179.01 178.29 1nf4 h LEU 45 N 1.09 0.74 -0.79 1.64 3.38 -1.74 -2.37 115.31 117.27 1nf4 h LEU 45 Ca 0.46 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1nf4 h LEU 45 Cb 0.31 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1nf4 h LEU 45 CO -0.21 1.03 0.36 0.00 0.09 0.00 0.00 178.44 179.71 1nf4 h ALA 46 N 0.73 1.02 0.78 1.53 0.00 0.13 -1.33 119.26 122.12 1nf4 h ALA 46 Ca 0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1nf4 h ALA 46 Cb 0.79 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1nf4 h ALA 46 CO 0.06 0.60 -0.37 0.00 0.00 0.00 0.00 179.25 179.54 1nf4 h ALA 47 N 1.19 -1.05 -0.62 0.00 0.00 -0.99 -1.73 119.26 116.06 1nf4 h ALA 47 Ca 0.27 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1nf4 h ALA 47 Cb 0.15 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1nf4 h ALA 47 CO -0.03 -1.08 0.41 -0.91 0.00 0.00 0.00 179.25 177.64 1nf4 h ASN 48 N -1.07 0.70 -0.84 0.00 2.35 -1.39 0.85 115.58 116.18 1nf4 h ASN 48 Ca -0.11 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1nf4 h ASN 48 Cb 0.81 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.96 1nf4 h ASN 48 CO 0.18 0.51 0.54 -0.03 -1.65 0.00 0.00 177.43 176.97 1nf4 h MET 49 N 0.83 1.12 -0.32 0.81 4.05 -1.03 -1.48 114.93 118.91 1nf4 h MET 49 Ca 0.23 -0.08 -0.07 0.00 -0.28 0.00 0.00 59.70 59.50 1nf4 h MET 49 Cb -0.08 -0.25 -0.01 0.00 -0.80 0.00 0.00 31.60 30.46 1nf4 h MET 49 CO -0.05 0.76 -0.08 -0.22 0.23 0.00 0.00 176.91 177.55 1nf4 h LYS 50 N 1.15 0.62 -0.80 0.39 3.64 -0.05 -1.80 116.57 119.72 1nf4 h LYS 50 Ca 0.31 -0.24 0.09 0.00 -1.27 0.00 0.00 60.65 59.54 1nf4 h LYS 50 Cb -0.10 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.62 1nf4 h LYS 50 CO -0.06 0.80 0.45 -0.07 -2.27 0.00 0.00 179.45 178.30 1nf4 h LEU 51 N 0.39 0.64 -0.76 5.20 3.38 -0.70 -1.16 115.31 122.30 1nf4 h LEU 51 Ca 0.08 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 1nf4 h LEU 51 Cb 0.57 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1nf4 h LEU 51 CO 0.03 0.37 -0.29 0.40 0.09 0.00 0.00 178.44 179.05 1nf4 h ILE 52 N 0.76 1.28 -0.81 1.22 2.04 -1.02 -1.37 117.51 119.60 1nf4 h ILE 52 Ca 0.38 -1.38 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 1nf4 h ILE 52 Cb 0.34 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 1nf4 h ILE 52 CO -0.24 0.45 0.49 0.00 0.00 0.00 0.00 178.15 178.84 1nf4 h ALA 53 N 1.15 1.33 -0.32 1.87 0.00 -0.53 -1.09 119.26 121.67 1nf4 h ALA 53 Ca 0.07 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1nf4 h ALA 53 Cb 0.76 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1nf4 h ALA 53 CO 0.06 0.58 -0.23 0.82 0.00 0.00 0.00 179.25 180.48 1nf4 h ILE 54 N 1.12 1.27 -0.35 0.00 2.04 -0.68 0.11 117.51 121.02 1nf4 h ILE 54 Ca 0.29 -1.29 0.06 0.00 1.00 0.00 0.00 64.86 64.93 1nf4 h ILE 54 Cb -0.04 1.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 1nf4 h ILE 54 CO -0.05 0.42 0.02 0.44 0.00 0.00 0.00 178.15 178.97 1nf4 h ASP 55 N 0.54 -0.11 -0.54 1.72 3.32 -0.40 -1.74 116.42 119.22 1nf4 h ASP 55 Ca 0.08 0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.14 1nf4 h ASP 55 Cb 0.69 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 1nf4 h ASP 55 CO 0.05 -0.02 0.12 -0.33 -1.72 0.00 0.00 179.24 177.35 1nf4 h GLU 56 N 0.12 0.92 -0.84 3.56 4.39 -0.62 -0.40 114.58 121.70 1nf4 h GLU 56 Ca 0.17 -0.21 0.07 0.00 0.34 0.00 0.00 59.36 59.73 1nf4 h GLU 56 Cb 0.22 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 28.68 1nf4 h GLU 56 CO -0.27 0.84 0.51 0.52 -1.16 0.00 0.00 179.01 179.45 1nf4 h MET 57 N 0.88 0.90 -0.18 2.33 2.86 -0.40 -0.69 114.93 120.63 1nf4 h MET 57 Ca 0.19 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.64 1nf4 h MET 57 Cb 0.35 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1nf4 h MET 57 CO 0.00 0.59 -0.46 -0.09 1.06 0.00 0.00 176.91 178.02 1nf4 h ARG 58 N 0.93 0.44 -0.63 1.72 2.43 -0.57 -1.68 114.38 117.02 1nf4 h ARG 58 Ca 0.37 -0.24 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 1nf4 h ARG 58 Cb 0.20 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 1nf4 h ARG 58 CO -0.18 0.81 0.27 0.45 -1.51 0.00 0.00 179.97 179.81 1nf4 h HIS 59 N 0.36 0.94 -0.72 2.20 3.86 -0.52 -1.16 115.15 120.11 1nf4 h HIS 59 Ca 0.02 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1nf4 h HIS 59 Cb 0.95 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 29.10 1nf4 h HIS 59 CO 0.03 0.73 0.39 0.00 0.86 0.00 0.00 177.93 179.94 1nf4 h ALA 60 N 1.11 1.35 -0.16 2.45 0.00 -0.70 0.27 119.26 123.58 1nf4 h ALA 60 Ca 0.21 -0.11 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 1nf4 h ALA 60 Cb 0.17 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1nf4 h ALA 60 CO -0.02 0.54 -0.78 1.49 0.00 0.00 0.00 179.25 180.48 1nf4 h GLU 61 N 1.00 0.80 -0.63 0.00 4.81 -1.11 -1.52 114.58 117.92 1nf4 h GLU 61 Ca 0.25 -0.65 -0.05 0.00 -0.13 0.00 0.00 59.36 58.78 1nf4 h GLU 61 Cb 0.02 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 1nf4 h GLU 61 CO -0.04 1.26 0.18 -0.91 -0.73 0.00 0.00 179.01 178.77 1nf4 h ASN 62 N 0.55 0.94 -0.41 1.04 2.35 -0.91 0.10 115.58 119.23 1nf4 h ASN 62 Ca -0.05 -0.22 -0.04 0.00 -0.55 0.00 0.00 56.30 55.45 1nf4 h ASN 62 Cb 1.41 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.51 1nf4 h ASN 62 CO 0.16 0.91 0.11 -0.26 -1.65 0.00 0.00 177.43 176.70 1nf4 h PHE 63 N 0.92 0.67 -0.52 1.19 0.05 -0.89 -1.67 116.94 116.69 1nf4 h PHE 63 Ca 0.20 -0.07 -0.04 0.00 3.82 0.00 0.00 57.97 61.88 1nf4 h PHE 63 Cb 0.32 -0.19 -0.02 0.00 2.00 0.00 0.00 35.95 38.05 1nf4 h PHE 63 CO 0.02 0.63 0.18 0.00 -0.18 0.00 0.00 178.31 178.97 1nf4 h ALA 64 N 0.96 0.68 -0.89 2.45 0.00 -1.05 -0.28 119.26 121.14 1nf4 h ALA 64 Ca 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1nf4 h ALA 64 Cb 0.29 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1nf4 h ALA 64 CO -0.00 0.32 0.51 0.93 0.00 0.00 0.00 179.25 181.01 1nf4 h GLU 65 N 0.71 1.23 -0.48 0.00 5.08 -0.89 -0.83 114.58 119.40 1nf4 h GLU 65 Ca 0.17 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.28 1nf4 h GLU 65 Cb 0.24 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1nf4 h GLU 65 CO -0.01 0.88 -0.17 -0.09 -1.00 0.00 0.00 179.01 178.62 1nf4 h ARG 66 N 1.24 0.93 -0.58 2.33 9.65 -0.90 -2.11 114.38 124.95 1nf4 h ARG 66 Ca 0.32 -0.37 0.03 0.00 -1.10 0.00 0.00 59.98 58.86 1nf4 h ARG 66 Cb -0.01 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.49 1nf4 h ARG 66 CO -0.05 1.03 0.35 0.82 2.80 0.00 0.00 179.97 184.91 1nf4 h ILE 67 N 0.82 1.06 -0.72 1.20 2.04 -0.47 -1.89 117.51 119.54 1nf4 h ILE 67 Ca 0.12 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1nf4 h ILE 67 Cb 0.72 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 1nf4 h ILE 67 CO 0.06 0.13 0.47 0.11 0.00 0.00 0.00 178.15 178.91 1nf4 h LYS 68 N 0.69 0.96 -0.04 2.37 1.79 -1.01 -0.35 116.57 120.98 1nf4 h LYS 68 Ca 0.23 -0.06 0.01 0.00 -2.18 0.00 0.00 60.65 58.65 1nf4 h LYS 68 Cb 0.03 -0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 30.46 1nf4 h LYS 68 CO -0.10 0.65 0.16 0.93 -1.08 0.00 0.00 179.45 180.00 1nf4 h GLU 69 N 0.98 0.00 -0.07 3.15 5.08 -0.65 -1.49 114.58 121.58 1nf4 h GLU 69 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1nf4 h GLU 69 Cb -0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1nf4 h GLU 69 CO -0.06 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.23 1nf4 n LEU 70 N -3.17 2.42 0.00 1.33 4.77 -0.61 -4.98 117.00 116.76 1nf4 n LEU 70 Ca -0.02 -1.10 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 1nf4 n LEU 70 Cb 0.23 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1nf4 n LEU 70 CO 0.19 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1nf4 n GLY 71 N 0.89 0.75 4.01 -0.72 0.00 -0.56 -4.89 105.19 104.67 1nf4 n GLY 71 Ca 0.10 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.09 1.73 -0.21 -0.02 0.00 -0.24 -4.98 107.32 101.52 1nf4 s GLY 72 Ca 0.00 -1.96 -0.03 0.00 0.00 0.00 0.00 44.72 42.73 1nf4 s GLY 72 CO 0.00 -1.38 -0.06 1.85 0.00 0.00 0.00 173.10 173.51 1nf4 s GLU 73 N -5.03 3.36 0.11 2.90 2.56 -1.26 -4.31 118.70 117.03 1nf4 s GLU 73 Ca 0.66 -0.64 -0.31 0.00 0.00 0.00 0.00 54.97 54.68 1nf4 s GLU 73 Cb -0.05 -2.94 -0.07 0.00 2.00 0.00 0.00 34.13 33.07 1nf4 s GLU 73 CO 0.43 -0.15 1.35 -2.14 -0.56 0.00 0.00 175.26 174.19 1nf4 s PRO 74 N 1.33 4.35 0.94 4.30 0.02 -1.26 -4.98 135.00 139.70 1nf4 s PRO 74 Ca 0.04 2.01 -0.10 0.00 0.02 0.00 0.00 61.00 62.97 1nf4 s PRO 74 Cb -0.14 -3.27 0.16 0.00 0.02 0.00 0.00 34.50 31.27 1nf4 s PRO 74 CO -0.03 -0.39 1.12 -2.37 -0.33 0.00 0.00 177.00 175.00 1nf4 n THR 75 N 3.89 0.00 -1.26 0.99 5.66 -1.26 -4.96 114.28 117.34 1nf4 n THR 75 Ca 0.11 -0.03 0.06 0.00 -3.05 0.00 0.00 64.05 61.14 1nf4 n THR 75 Cb 0.43 -0.99 0.09 0.00 -1.55 0.00 0.00 70.33 68.31 1nf4 n THR 75 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1nf4 n THR 76 N -4.31 1.26 -4.36 1.09 -2.24 -1.26 -4.97 114.28 99.49 1nf4 n THR 76 Ca 0.11 -1.50 -0.34 0.00 -2.27 0.00 0.00 64.05 60.06 1nf4 n THR 76 Cb 0.52 0.04 -0.13 0.00 -2.10 0.00 0.00 70.33 68.66 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 -1.88 3.51 0.43 -0.78 -0.21 -1.26 -5.11 119.66 114.35 1nf4 s GLN 77 Ca 0.20 -0.60 -0.22 0.00 0.02 0.00 0.00 55.36 54.77 1nf4 s GLN 77 Cb 0.18 -2.87 -0.10 0.00 1.00 0.00 0.00 33.01 31.22 1nf4 s GLN 77 CO 0.02 0.10 0.99 -1.59 -2.12 0.00 0.00 175.29 172.69 1nf4 s LYS 78 N 0.69 4.14 -0.02 2.91 -2.85 -1.26 -4.38 119.74 118.98 1nf4 s LYS 78 Ca -0.03 1.28 -0.30 0.00 -1.00 0.00 0.00 55.97 55.92 1nf4 s LYS 78 Cb -0.15 -2.30 -0.03 0.00 -2.06 0.00 0.00 37.83 33.30 1nf4 s LYS 78 CO 0.02 -0.12 1.00 -2.00 0.10 0.00 0.00 175.35 174.35 1nf4 s GLU 79 N -2.93 4.53 0.47 1.78 -6.30 0.26 -4.89 118.70 111.62 1nf4 s GLU 79 Ca 0.61 1.44 0.00 0.00 -2.50 0.00 0.00 54.97 54.52 1nf4 s GLU 79 Cb -0.14 -3.47 0.00 0.00 0.00 0.00 0.00 34.13 30.52 1nf4 s GLU 79 CO 0.19 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.77 1nf4 n GLY 80 N 2.95 -1.89 3.59 -1.50 0.00 -1.26 -4.63 105.19 102.45 1nf4 n GLY 80 Ca 0.07 -1.23 -0.26 0.00 0.00 0.00 0.00 46.02 44.59 1nf4 n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nf4 s LYS 81 N -1.61 2.11 0.07 1.61 2.36 -1.26 -4.98 119.74 118.04 1nf4 s LYS 81 Ca 0.00 -1.31 -0.30 0.00 -2.55 0.00 0.00 55.97 51.81 1nf4 s LYS 81 Cb 0.00 -2.16 -0.05 0.00 -1.05 0.00 0.00 37.83 34.57 1nf4 s LYS 81 CO 0.00 0.42 1.02 0.08 1.55 0.00 0.00 175.35 178.41 1nf4 s VAL 82 N -1.86 4.50 -0.32 4.02 1.01 -1.26 -5.04 120.40 121.44 1nf4 s VAL 82 Ca 0.27 1.93 -0.18 0.00 0.00 0.00 0.00 61.98 64.00 1nf4 s VAL 82 Cb -0.08 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 1nf4 s VAL 82 CO 0.16 0.23 0.51 -0.69 0.00 0.00 0.00 175.10 175.31 1nf4 s VAL 83 N 0.48 5.04 0.40 2.92 1.01 -1.26 -5.09 120.40 123.89 1nf4 s VAL 83 Ca 0.51 0.48 0.08 0.00 0.00 0.00 0.00 61.98 63.04 1nf4 s VAL 83 Cb -0.24 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 1nf4 s VAL 83 CO 0.30 -0.12 0.35 0.42 0.00 0.00 0.00 175.10 176.05 1nf4 s THR 84 N 2.36 2.84 -1.69 3.92 -4.23 -1.26 -4.60 115.64 112.98 1nf4 s THR 84 Ca 0.19 -1.36 -0.02 0.00 -1.18 0.00 0.00 61.69 59.32 1nf4 s THR 84 Cb -0.15 -3.04 0.00 0.00 1.34 0.00 0.00 72.50 70.65 1nf4 s THR 84 CO 0.12 -0.04 0.27 0.61 -0.54 0.00 0.00 174.62 175.04 1nf4 n GLY 85 N -1.50 -0.51 3.74 3.99 0.00 -1.26 -4.96 105.19 104.68 1nf4 n GLY 85 Ca 0.02 0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.34 4.76 0.73 1.61 -0.21 -1.26 -5.03 119.66 114.91 1nf4 s GLN 86 Ca 0.14 1.45 -0.15 0.00 0.02 0.00 0.00 55.36 56.82 1nf4 s GLN 86 Cb -0.06 -3.33 0.04 0.00 1.00 0.00 0.00 33.01 30.66 1nf4 s GLN 86 CO 0.17 0.36 1.18 0.00 -2.12 0.00 0.00 175.29 174.88 1nf4 s ALA 87 N -0.55 2.15 0.17 6.09 0.00 -1.26 -4.73 121.76 123.63 1nf4 s ALA 87 Ca 0.44 0.77 -0.14 0.00 0.00 0.00 0.00 51.96 53.03 1nf4 s ALA 87 Cb -0.24 -3.43 0.14 0.00 0.00 0.00 0.00 23.12 19.58 1nf4 s ALA 87 CO 0.30 -1.81 1.75 0.28 0.00 0.00 0.00 175.76 176.29 1nf4 h VAL 88 N -0.36 0.86 -0.64 0.00 2.07 -2.00 0.12 116.25 116.30 1nf4 h VAL 88 Ca -0.47 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1nf4 h VAL 88 Cb 1.28 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 1nf4 h VAL 88 CO 0.50 0.06 0.35 -0.65 0.02 0.00 0.00 177.57 177.85 1nf4 h PRO 89 N 0.35 0.88 -0.54 1.57 0.11 -2.00 -2.04 132.00 130.33 1nf4 h PRO 89 Ca 0.22 -0.09 -0.11 0.00 0.11 0.00 0.00 66.00 66.13 1nf4 h PRO 89 Cb 0.21 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 1nf4 h PRO 89 CO -0.21 0.65 -0.08 0.28 -0.21 0.00 0.00 178.00 178.43 1nf4 h VAL 90 N 0.89 1.27 -0.32 3.15 2.07 -1.61 -1.00 116.25 120.70 1nf4 h VAL 90 Ca 0.23 -1.22 0.07 0.00 0.82 0.00 0.00 66.70 66.59 1nf4 h VAL 90 Cb 0.03 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 30.66 1nf4 h VAL 90 CO -0.04 0.43 -0.12 0.40 0.02 0.00 0.00 177.57 178.27 1nf4 h ILE 91 N 0.89 0.60 0.02 4.57 2.04 -0.08 0.25 117.51 125.81 1nf4 h ILE 91 Ca 0.15 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.79 1nf4 h ILE 91 Cb 0.63 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1nf4 h ILE 91 CO 0.04 0.00 -0.96 1.88 0.00 0.00 0.00 178.15 179.11 1nf4 h TYR 92 N -0.06 0.25 -0.02 1.37 -1.99 -1.39 -0.71 116.97 114.41 1nf4 h TYR 92 Ca 0.16 -0.15 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 1nf4 h TYR 92 Cb 0.30 -0.02 -0.00 0.00 2.00 0.00 0.00 36.73 39.01 1nf4 h TYR 92 CO -0.33 1.02 0.01 1.49 -0.00 0.00 0.00 178.16 180.35 1nf4 h GLU 93 N 0.07 0.03 -0.16 4.88 4.81 -0.84 -0.03 114.58 123.35 1nf4 h GLU 93 Ca -0.05 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 1nf4 h GLU 93 Cb 1.63 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.00 1nf4 h GLU 93 CO 0.14 0.20 -0.36 0.66 -0.73 0.00 0.00 179.01 178.93 1nf4 h SER 94 N -0.14 0.34 -0.54 1.04 4.64 -0.54 -1.88 113.55 116.46 1nf4 h SER 94 Ca 0.01 -0.13 -0.10 0.00 -0.47 0.00 0.00 61.79 61.10 1nf4 h SER 94 Cb 0.18 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 1nf4 h SER 94 CO -0.00 0.67 -0.04 0.44 -0.87 0.00 0.00 176.83 177.04 1nf4 h ASP 95 N 0.28 0.96 -0.42 4.97 5.19 -0.94 0.11 116.42 126.57 1nf4 h ASP 95 Ca 0.03 -0.32 -0.02 0.00 -0.62 0.00 0.00 57.03 56.10 1nf4 h ASP 95 Cb 0.77 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 40.00 1nf4 h ASP 95 CO 0.06 1.05 0.18 0.00 -3.12 0.00 0.00 179.24 177.41 1nf4 h ALA 96 N 0.94 0.55 -0.53 3.45 0.00 -0.86 -0.60 119.26 122.21 1nf4 h ALA 96 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1nf4 h ALA 96 Cb 0.58 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1nf4 h ALA 96 CO 0.03 0.14 0.33 -0.44 0.00 0.00 0.00 179.25 179.32 1nf4 h ASP 97 N 0.54 0.62 -0.84 0.00 3.32 -1.06 -0.97 116.42 118.03 1nf4 h ASP 97 Ca 0.14 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1nf4 h ASP 97 Cb 0.18 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 1nf4 h ASP 97 CO -0.01 0.47 0.46 -0.61 -1.72 0.00 0.00 179.24 177.83 1nf4 h GLN 98 N 0.71 1.18 -0.39 3.56 4.15 -0.64 -1.17 115.11 122.51 1nf4 h GLN 98 Ca 0.19 -0.14 -0.14 0.00 0.77 0.00 0.00 58.65 59.33 1nf4 h GLN 98 Cb -0.05 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.40 1nf4 h GLN 98 CO -0.04 0.87 -0.32 0.93 -1.93 0.00 0.00 178.83 178.34 1nf4 h GLU 99 N 1.19 0.87 -0.64 1.69 4.39 -0.70 -2.04 114.58 119.34 1nf4 h GLU 99 Ca 0.30 -0.42 0.01 0.00 0.34 0.00 0.00 59.36 59.59 1nf4 h GLU 99 Cb 0.03 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 1nf4 h GLU 99 CO -0.05 1.06 0.42 0.22 -1.16 0.00 0.00 179.01 179.50 1nf4 h ASP 100 N 0.73 0.73 -0.79 1.42 1.82 -0.84 -2.05 116.42 117.44 1nf4 h ASP 100 Ca 0.08 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1nf4 h ASP 100 Cb 0.88 -0.18 -0.04 0.00 0.68 0.00 0.00 39.33 40.67 1nf4 h ASP 100 CO 0.08 0.53 0.50 0.00 -1.61 0.00 0.00 179.24 178.74 1nf4 h ALA 101 N 1.23 1.00 -0.52 -0.78 0.00 -1.10 -2.14 119.26 116.96 1nf4 h ALA 101 Ca 0.23 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1nf4 h ALA 101 Cb -0.10 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.34 1nf4 h ALA 101 CO -0.05 0.43 0.32 1.15 0.00 0.00 0.00 179.25 181.10 1nf4 h THR 102 N 1.07 1.08 -0.57 0.00 2.02 -0.87 0.66 112.91 116.30 1nf4 h THR 102 Ca 0.29 -0.22 -0.07 0.00 0.77 0.00 0.00 66.41 67.18 1nf4 h THR 102 Cb -0.09 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 1nf4 h THR 102 CO -0.06 0.12 0.07 0.40 0.37 0.00 0.00 175.52 176.42 1nf4 h ILE 103 N 0.64 1.25 0.30 3.11 2.04 -1.13 0.85 117.51 124.57 1nf4 h ILE 103 Ca 0.20 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 1nf4 h ILE 103 Cb -0.01 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1nf4 h ILE 103 CO -0.08 0.36 -0.17 -0.33 0.00 0.00 0.00 178.15 177.93 1nf4 h GLU 104 N 0.87 -0.43 0.01 2.37 4.39 -0.77 0.44 114.58 121.46 1nf4 h GLU 104 Ca 0.18 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 1nf4 h GLU 104 Cb 0.41 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1nf4 h GLU 104 CO 0.01 -0.29 -0.00 0.00 -1.16 0.00 0.00 179.01 177.57 1nf4 h ALA 105 N 0.24 -0.01 0.00 3.43 0.00 -0.40 -2.52 119.26 120.01 1nf4 h ALA 105 Ca -0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1nf4 h ALA 105 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1nf4 h ALA 105 CO 0.05 -0.48 -0.24 1.88 0.00 0.00 0.00 179.25 180.46 1nf4 h TYR 106 N -0.06 0.00 -0.01 0.00 -1.99 0.73 -0.59 116.97 115.04 1nf4 h TYR 106 Ca -0.00 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.63 1nf4 h TYR 106 Cb 0.06 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.78 1nf4 h TYR 106 CO -0.06 0.24 -0.45 0.77 -0.00 0.00 0.00 178.16 178.66 1nf4 h SER 107 N 0.00 0.02 0.38 3.88 0.02 -0.49 -0.72 113.55 116.64 1nf4 h SER 107 Ca -0.00 -0.01 -0.25 0.00 -0.84 0.00 0.00 61.79 60.69 1nf4 h SER 107 Cb 0.44 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 62.98 1nf4 h SER 107 CO 0.03 0.46 -1.05 1.56 -1.14 0.00 0.00 176.83 176.70 1nf4 h GLN 108 N 0.02 0.40 -0.61 3.45 4.20 -0.89 -2.86 115.11 118.82 1nf4 h GLN 108 Ca -0.00 -0.49 -0.04 0.00 0.06 0.00 0.00 58.65 58.18 1nf4 h GLN 108 Cb 0.79 0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.70 1nf4 h GLN 108 CO 0.06 1.17 0.23 0.74 -0.67 0.00 0.00 178.83 180.36 1nf4 h PHE 109 N 0.20 0.90 -0.43 2.96 0.05 -0.69 -1.76 116.94 118.16 1nf4 h PHE 109 Ca -0.11 -0.05 0.03 0.00 3.82 0.00 0.00 57.97 61.66 1nf4 h PHE 109 Cb 1.71 -0.27 -0.03 0.00 2.00 0.00 0.00 35.95 39.35 1nf4 h PHE 109 CO 0.07 0.70 0.24 1.25 -0.18 0.00 0.00 178.31 180.38 1nf4 h LEU 110 N 0.87 0.37 -0.48 1.54 6.46 -1.16 -1.07 115.31 121.85 1nf4 h LEU 110 Ca 0.21 0.01 0.08 0.00 -0.12 0.00 0.00 57.88 58.05 1nf4 h LEU 110 Cb 0.18 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 39.99 1nf4 h LEU 110 CO -0.02 0.27 0.13 0.50 -0.62 0.00 0.00 178.44 178.69 1nf4 h LYS 111 N 0.48 0.27 -0.88 1.25 3.64 -1.14 -0.08 116.57 120.11 1nf4 h LYS 111 Ca 0.18 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1nf4 h LYS 111 Cb 0.05 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 1nf4 h LYS 111 CO -0.10 0.18 0.58 0.28 -2.27 0.00 0.00 179.45 178.11 1nf4 h VAL 112 N 0.27 1.14 -0.47 2.00 2.07 -0.85 -0.48 116.25 119.94 1nf4 h VAL 112 Ca 0.24 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 1nf4 h VAL 112 Cb 0.29 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 1nf4 h VAL 112 CO -0.28 0.20 0.15 0.00 0.02 0.00 0.00 177.57 177.65 1nf4 h LYS 114 N 0.62 0.75 -0.93 0.00 1.57 -0.49 0.34 116.57 118.42 1nf4 h LYS 114 Ca 0.15 -0.09 0.09 0.00 -1.87 0.00 0.00 60.65 58.93 1nf4 h LYS 114 Cb 0.27 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.36 1nf4 h LYS 114 CO -0.00 0.59 0.58 0.93 -0.57 0.00 0.00 179.45 180.97 1nf4 h GLU 115 N 0.71 0.96 -0.14 3.15 5.08 -0.86 -0.10 114.58 123.37 1nf4 h GLU 115 Ca 0.19 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1nf4 h GLU 115 Cb 0.07 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1nf4 h GLU 115 CO -0.03 0.63 0.00 1.04 -1.00 0.00 0.00 179.01 179.66 1nf4 n GLN 116 N -4.62 1.35 -3.19 2.33 1.13 -0.26 -4.90 117.38 109.22 1nf4 n GLN 116 Ca 0.15 -0.55 -0.21 0.00 -1.94 0.00 0.00 57.00 54.46 1nf4 n GLN 116 Cb 0.25 -1.16 0.05 0.00 0.11 0.00 0.00 30.24 29.50 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 -0.42 3.14 1.08 0.00 -0.05 -4.92 105.19 104.79 1nf4 n GLY 117 Ca 0.07 0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.97 5.88 0.21 1.61 -1.08 0.05 -4.90 116.67 115.47 1nf4 s ASP 118 Ca 0.39 -3.32 -0.08 0.00 -0.52 0.00 0.00 52.55 49.03 1nf4 s ASP 118 Cb -0.17 -1.94 0.14 0.00 -1.46 0.00 0.00 42.92 39.49 1nf4 s ASP 118 CO 0.48 -0.29 1.72 0.40 0.52 0.00 0.00 175.17 178.01 1nf4 h ILE 119 N 4.53 1.26 -0.47 4.11 1.08 -1.93 -1.65 117.51 124.44 1nf4 h ILE 119 Ca 0.09 -0.98 -0.02 0.00 -0.39 0.00 0.00 64.86 63.57 1nf4 h ILE 119 Cb 0.89 0.55 -0.02 0.00 -3.07 0.00 0.00 36.82 35.17 1nf4 h ILE 119 CO 0.80 0.37 0.23 0.58 -0.69 0.00 0.00 178.15 179.45 1nf4 h VAL 120 N 1.05 1.19 -0.04 1.67 2.07 -1.97 -1.79 116.25 118.42 1nf4 h VAL 120 Ca 0.22 -0.52 -0.14 0.00 0.82 0.00 0.00 66.70 67.07 1nf4 h VAL 120 Cb 0.38 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1nf4 h VAL 120 CO 0.00 0.21 -0.60 0.74 0.02 0.00 0.00 177.57 177.93 1nf4 h THR 121 N 0.62 1.41 -0.69 2.57 2.02 -1.92 -2.00 112.91 114.91 1nf4 h THR 121 Ca 0.16 -2.02 0.01 0.00 0.77 0.00 0.00 66.41 65.34 1nf4 h THR 121 Cb 0.11 2.05 -0.04 0.00 -1.74 0.00 0.00 68.15 68.54 1nf4 h THR 121 CO -0.02 0.59 0.45 0.00 0.37 0.00 0.00 175.52 176.91 1nf4 h ALA 122 N 1.27 0.88 -0.35 6.16 0.00 -1.03 -2.17 119.26 124.03 1nf4 h ALA 122 Ca -0.01 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1nf4 h ALA 122 Cb 1.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1nf4 h ALA 122 CO 0.09 0.28 -0.27 -0.09 0.00 0.00 0.00 179.25 179.26 1nf4 h ARG 123 N 0.92 0.72 -0.37 0.00 9.65 -1.01 -0.75 114.38 123.53 1nf4 h ARG 123 Ca 0.26 -0.31 0.03 0.00 -1.10 0.00 0.00 59.98 58.86 1nf4 h ARG 123 Cb -0.08 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.44 1nf4 h ARG 123 CO -0.07 0.91 0.17 1.25 2.80 0.00 0.00 179.97 185.03 1nf4 h LEU 124 N 0.62 0.24 -0.83 3.80 5.85 -1.11 -1.32 115.31 122.55 1nf4 h LEU 124 Ca 0.08 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1nf4 h LEU 124 Cb 0.78 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 1nf4 h LEU 124 CO 0.06 0.18 0.32 -0.26 -0.34 0.00 0.00 178.44 178.40 1nf4 h PHE 125 N 0.35 1.20 -0.09 1.25 -1.00 -1.08 -1.78 116.94 115.79 1nf4 h PHE 125 Ca 0.16 -0.09 0.02 0.00 2.81 0.00 0.00 57.97 60.87 1nf4 h PHE 125 Cb 0.09 -0.36 -0.02 0.00 3.61 0.00 0.00 35.95 39.27 1nf4 h PHE 125 CO -0.11 0.91 -0.01 1.49 -1.61 0.00 0.00 178.31 178.97 1nf4 h GLU 126 N 1.16 0.01 -0.72 1.51 4.81 -0.73 0.14 114.58 120.77 1nf4 h GLU 126 Ca 0.27 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.44 1nf4 h GLU 126 Cb 0.21 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 1nf4 h GLU 126 CO -0.02 0.01 0.25 0.00 -0.73 0.00 0.00 179.01 178.52 1nf4 h ARG 127 N 0.02 1.10 -0.07 1.92 3.08 -1.10 -2.24 114.38 117.08 1nf4 h ARG 127 Ca 0.04 -0.22 -0.17 0.00 0.07 0.00 0.00 59.98 59.70 1nf4 h ARG 127 Cb 0.06 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1nf4 h ARG 127 CO -0.08 0.93 -0.68 0.82 -1.07 0.00 0.00 179.97 179.88 1nf4 h ILE 128 N 1.05 1.39 -0.86 2.04 2.04 -1.10 -2.69 117.51 119.38 1nf4 h ILE 128 Ca 0.24 -2.10 -0.03 0.00 1.00 0.00 0.00 64.86 63.96 1nf4 h ILE 128 Cb 0.27 2.08 -0.04 0.00 -0.74 0.00 0.00 36.82 38.39 1nf4 h ILE 128 CO -0.01 0.63 0.44 0.40 0.00 0.00 0.00 178.15 179.60 1nf4 h ILE 129 N 0.23 1.26 -0.88 -0.67 2.04 -0.53 0.10 117.51 119.06 1nf4 h ILE 129 Ca -0.02 -0.70 0.08 0.00 1.00 0.00 0.00 64.86 65.22 1nf4 h ILE 129 Cb 1.24 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.39 1nf4 h ILE 129 CO 0.11 0.30 0.57 -0.33 0.00 0.00 0.00 178.15 178.81 1nf4 h GLU 130 N 1.22 0.91 -0.07 2.37 4.39 -1.23 -1.33 114.58 120.84 1nf4 h GLU 130 Ca 0.30 -0.06 -0.19 0.00 0.34 0.00 0.00 59.36 59.76 1nf4 h GLU 130 Cb 0.09 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1nf4 h GLU 130 CO -0.04 0.61 -0.74 0.93 -1.16 0.00 0.00 179.01 178.60 1nf4 h GLU 131 N 0.94 0.39 -0.09 2.33 5.08 -0.97 -2.96 114.58 119.30 1nf4 h GLU 131 Ca 0.39 -0.33 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 1nf4 h GLU 131 Cb 0.30 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1nf4 h GLU 131 CO -0.16 0.97 -0.22 0.93 -1.00 0.00 0.00 179.01 179.54 1nf4 h GLU 132 N 0.26 0.16 -0.32 2.33 4.39 0.05 -2.07 114.58 119.38 1nf4 h GLU 132 Ca -0.03 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.57 1nf4 h GLU 132 Cb 1.32 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.94 1nf4 h GLU 132 CO 0.13 0.37 -0.02 0.37 -1.16 0.00 0.00 179.01 178.70 1nf4 h GLN 133 N 0.14 0.50 -0.22 2.33 5.75 -1.12 0.55 115.11 123.04 1nf4 h GLN 133 Ca 0.03 -0.11 -0.16 0.00 -0.15 0.00 0.00 58.65 58.25 1nf4 h GLN 133 Cb 0.47 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 28.95 1nf4 h GLN 133 CO 0.03 0.54 -0.53 0.00 -2.65 0.00 0.00 178.83 176.22 1nf4 h ALA 134 N 1.51 0.66 -0.43 3.38 0.00 -1.28 -1.70 119.26 121.39 1nf4 h ALA 134 Ca 0.10 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 1nf4 h ALA 134 Cb 0.34 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1nf4 h ALA 134 CO 0.01 0.68 0.01 0.45 0.00 0.00 0.00 179.25 180.41 1nf4 h HIS 135 N 0.49 0.81 0.31 0.00 3.86 -0.94 -2.10 115.15 117.59 1nf4 h HIS 135 Ca 0.01 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.08 1nf4 h HIS 135 Cb 1.09 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 29.34 1nf4 h HIS 135 CO 0.05 0.80 -0.21 1.25 0.86 0.00 0.00 177.93 180.68 1nf4 h LEU 136 N 0.59 -0.54 -0.40 2.43 5.85 -0.84 -1.33 115.31 121.07 1nf4 h LEU 136 Ca 0.12 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.96 1nf4 h LEU 136 Cb 0.47 0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.59 1nf4 h LEU 136 CO 0.02 -0.34 -0.11 0.74 -0.34 0.00 0.00 178.44 178.41 1nf4 h THR 137 N -0.52 0.57 -0.64 1.05 2.02 -1.36 -0.45 112.91 113.58 1nf4 h THR 137 Ca -0.03 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.22 1nf4 h THR 137 Cb 0.44 0.57 -0.06 0.00 -1.74 0.00 0.00 68.15 67.37 1nf4 h THR 137 CO 0.01 0.00 0.34 0.22 0.37 0.00 0.00 175.52 176.47 1nf4 h TYR 138 N -0.02 0.62 -0.20 3.16 3.20 -1.04 -0.75 116.97 121.93 1nf4 h TYR 138 Ca 0.19 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.93 1nf4 h TYR 138 Cb 0.31 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1nf4 h TYR 138 CO -0.37 0.28 -0.53 1.88 -1.64 0.00 0.00 178.16 177.79 1nf4 h TYR 139 N 0.62 0.73 -0.40 -3.82 0.99 -0.81 -2.50 116.97 111.78 1nf4 h TYR 139 Ca 0.29 -0.25 -0.02 0.00 2.00 0.00 0.00 58.73 60.76 1nf4 h TYR 139 Cb 0.22 -0.14 -0.02 0.00 1.00 0.00 0.00 36.73 37.79 1nf4 h TYR 139 CO -0.09 0.99 0.19 0.93 -0.00 0.00 0.00 178.16 180.17 1nf4 h GLU 140 N 0.46 0.59 -0.55 4.88 5.08 -0.69 -1.67 114.58 122.68 1nf4 h GLU 140 Ca 0.01 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1nf4 h GLU 140 Cb 1.07 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 1nf4 h GLU 140 CO 0.10 0.53 0.36 -0.91 -1.00 0.00 0.00 179.01 178.08 1nf4 h ASN 141 N 0.51 0.61 -0.47 1.42 2.35 -1.05 0.73 115.58 119.68 1nf4 h ASN 141 Ca 0.14 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.81 1nf4 h ASN 141 Cb 0.14 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1nf4 h ASN 141 CO -0.02 0.43 0.02 0.40 -1.65 0.00 0.00 177.43 176.62 1nf4 h ILE 142 N 0.72 1.26 -0.56 2.81 1.08 -1.38 -1.52 117.51 119.92 1nf4 h ILE 142 Ca 0.21 -1.02 0.02 0.00 -0.39 0.00 0.00 64.86 63.68 1nf4 h ILE 142 Cb -0.05 1.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.66 1nf4 h ILE 142 CO -0.06 0.36 0.34 1.23 -0.69 0.00 0.00 178.15 179.33 1nf4 h GLY 143 N 0.67 0.80 1.02 5.37 0.00 -1.03 -0.62 103.07 109.27 1nf4 h GLY 143 Ca 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1nf4 h GLY 143 CO 0.02 0.23 0.46 0.23 0.00 0.00 0.00 176.54 177.48 1nf4 h SER 144 N 0.69 1.02 -0.42 0.19 0.87 -0.53 0.84 113.55 116.21 1nf4 h SER 144 Ca 0.22 -0.09 -0.12 0.00 -1.23 0.00 0.00 61.79 60.57 1nf4 h SER 144 Cb 0.01 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 1nf4 h SER 144 CO -0.09 0.82 -0.21 0.45 -0.53 0.00 0.00 176.83 177.27 1nf4 h HIS 145 N 1.14 1.02 -0.40 2.24 -0.00 -0.89 0.35 115.15 118.62 1nf4 h HIS 145 Ca 0.29 -0.26 0.03 0.00 -0.00 0.00 0.00 60.37 60.44 1nf4 h HIS 145 Cb 0.02 -0.24 -0.04 0.00 -0.00 0.00 0.00 27.41 27.16 1nf4 h HIS 145 CO 0.00 1.04 0.19 0.82 -0.00 0.00 0.00 177.93 179.99 1nf4 h ILE 146 N 0.71 0.96 0.51 2.45 2.04 -0.88 0.56 117.51 123.86 1nf4 h ILE 146 Ca 0.09 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1nf4 h ILE 146 Cb 0.78 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1nf4 h ILE 146 CO 0.06 0.07 -0.30 0.50 0.00 0.00 0.00 178.15 178.48 1nf4 h LYS 147 N 0.39 -0.74 0.00 2.37 3.64 -0.59 0.94 116.57 122.58 1nf4 h LYS 147 Ca 0.17 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1nf4 h LYS 147 Cb 0.10 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1nf4 h LYS 147 CO -0.13 -0.50 -0.46 -0.91 -2.27 0.00 0.00 179.45 175.18 1nf4 h ASN 148 N -0.77 0.00 0.00 4.20 4.21 -0.08 -3.38 115.58 119.75 1nf4 h ASN 148 Ca -0.06 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.45 1nf4 h ASN 148 Cb 0.62 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.82 1nf4 h ASN 148 CO 0.07 0.02 -0.61 0.18 -1.29 0.00 0.00 177.43 175.80 1nf4 n LEU 149 N -2.92 0.00 0.00 1.61 4.77 0.19 -5.07 117.00 115.59 1nf4 n LEU 149 Ca 0.02 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1nf4 n LEU 149 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1nf4 n LEU 149 CO 0.37 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1nf4 n GLY 150 N 1.76 2.68 0.29 -0.72 0.00 0.33 -2.39 105.19 107.13 1nf4 n GLY 150 Ca 0.00 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 45.97 1nf4 n GLY 150 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nf4 h ASP 151 N 2.58 0.00 -0.80 1.61 5.19 -1.93 0.02 116.42 123.09 1nf4 h ASP 151 Ca 0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 1nf4 h ASP 151 Cb 0.00 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.47 1nf4 h ASP 151 CO 0.00 0.01 0.42 0.74 -3.12 0.00 0.00 179.24 177.28 1nf4 h THR 152 N 0.00 1.24 -0.13 0.35 2.02 -1.89 0.26 112.91 114.77 1nf4 h THR 152 Ca -0.00 -0.64 -0.04 0.00 0.77 0.00 0.00 66.41 66.50 1nf4 h THR 152 Cb 0.02 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.61 1nf4 h THR 152 CO 0.00 0.28 -0.08 0.22 0.37 0.00 0.00 175.52 176.31 1nf4 h TYR 153 N 1.14 0.33 0.00 3.16 3.20 -1.07 -3.20 116.97 120.52 1nf4 h TYR 153 Ca 0.28 -0.09 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 1nf4 h TYR 153 Cb 0.07 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1nf4 h TYR 153 CO 0.01 0.65 -0.25 -0.07 -1.64 0.00 0.00 178.16 176.86 1nf4 h LEU 154 N -0.09 0.00 -1.37 2.82 3.38 -1.04 -2.11 115.31 116.91 1nf4 h LEU 154 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1nf4 h LEU 154 Cb 0.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1nf4 h LEU 154 CO 0.02 0.25 0.16 0.00 0.09 0.00 0.00 178.44 178.96 1nf4 h ALA 155 N 1.75 1.51 -0.14 1.53 0.00 -0.48 -0.38 119.26 123.04 1nf4 h ALA 155 Ca -0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1nf4 h ALA 155 Cb 0.55 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1nf4 h ALA 155 CO 0.03 0.38 -0.39 -0.22 0.00 0.00 0.00 179.25 179.06 1nf4 h LYS 156 N 0.58 0.30 0.00 0.00 3.64 -1.44 -2.98 116.57 116.68 1nf4 h LYS 156 Ca 0.14 -0.14 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 1nf4 h LYS 156 Cb 0.13 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1nf4 h LYS 156 CO -0.01 0.65 -0.72 0.82 -2.27 0.00 0.00 179.45 177.91 1nf4 h ILE 157 N 0.25 1.16 -1.06 2.00 1.08 -1.34 -3.44 117.51 116.16 1nf4 h ILE 157 Ca 0.03 -2.66 -0.72 0.00 -0.39 0.00 0.00 64.86 61.12 1nf4 h ILE 157 Cb 0.80 2.57 -0.01 0.00 -3.07 0.00 0.00 36.82 37.11 1nf4 h ILE 157 CO 0.06 0.66 1.20 0.00 -0.69 0.00 0.00 178.15 179.38 1nf4 n ALA 158 N -2.28 0.41 -0.68 1.87 0.00 -0.22 -1.53 120.51 118.07 1nf4 n ALA 158 Ca 0.01 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1nf4 n ALA 158 Cb 0.82 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 5.79 0.67 3.78 0.00 0.00 0.24 -4.97 105.19 110.71 1nf4 n GLY 159 Ca 0.38 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.12 3.42 0.43 2.61 -4.23 -0.58 -4.89 115.64 110.28 1nf4 s THR 160 Ca 0.00 0.46 -0.25 0.00 -1.18 0.00 0.00 61.69 60.72 1nf4 s THR 160 Cb 0.00 -3.04 -0.09 0.00 1.34 0.00 0.00 72.50 70.71 1nf4 s THR 160 CO 0.00 -0.60 1.30 -2.65 -0.54 0.00 0.00 174.62 172.13 1nf4 n PRO 161 N -3.45 1.97 0.00 3.99 -0.02 -1.26 -3.67 135.00 132.56 1nf4 n PRO 161 Ca 0.08 0.70 0.03 0.00 -2.02 0.00 0.00 63.50 62.29 1nf4 n PRO 161 Cb 0.54 -2.43 0.01 0.00 -0.02 0.00 0.00 33.50 31.59 1nf4 n PRO 161 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1nf4 n SER 162 N 0.08 1.17 -4.67 2.55 3.41 -1.26 -3.14 113.62 111.75 1nf4 n SER 162 Ca 0.06 -1.09 -0.43 0.00 -0.26 0.00 0.00 58.87 57.15 1nf4 n SER 162 Cb 0.40 0.24 -0.01 0.00 -0.26 0.00 0.00 64.21 64.58 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 -0.03 2.46 -1.48 4.04 2.88 -1.26 -4.34 113.62 115.89 1nf4 n SER 163 Ca 0.03 1.19 0.08 0.00 -1.33 0.00 0.00 58.87 58.83 1nf4 n SER 163 Cb 0.13 -1.43 0.35 0.00 -0.75 0.00 0.00 64.21 62.50 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 0.65 2.56 0.00 2.46 -2.24 -1.26 -4.94 114.28 111.51 1nf4 n THR 164 Ca 0.07 -1.60 0.00 0.00 -2.27 0.00 0.00 64.05 60.25 1nf4 n THR 164 Cb 0.34 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 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 0.16 -1.06 3.77 3.38 0.00 -1.26 -4.99 105.19 105.19 1nf4 n GLY 165 Ca 0.25 -2.08 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 1nf4 n GLY 165 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nf4 s THR 166 N 0.00 2.16 0.67 2.61 -1.32 -1.26 -4.94 115.64 113.56 1nf4 s THR 166 Ca 0.00 0.15 -0.17 0.00 -1.21 0.00 0.00 61.69 60.45 1nf4 s THR 166 Cb 0.00 -3.09 -0.00 0.00 -1.51 0.00 0.00 72.50 67.90 1nf4 s THR 166 CO 0.00 0.02 1.24 0.00 -2.21 0.00 0.00 174.62 173.67 1nf4 n ALA 167 N -0.11 0.85 -1.55 11.08 0.00 -1.26 -4.88 120.51 124.65 1nf4 n ALA 167 Ca 0.05 -0.05 -0.64 0.00 0.00 0.00 0.00 53.44 52.80 1nf4 n ALA 167 Cb 0.42 -2.29 -0.10 0.00 0.00 0.00 0.00 19.45 17.48 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 -1.97 1.04 -4.65 0.00 3.41 -1.26 -4.89 113.62 105.29 1nf4 n SER 168 Ca 0.15 1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 59.34 1nf4 n SER 168 Cb 0.48 -0.86 -0.03 0.00 -0.26 0.00 0.00 64.21 63.54 1nf4 n SER 168 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1nf4 s LYS 169 N 3.85 4.05 0.00 4.33 -2.85 -1.26 -4.96 119.74 122.90 1nf4 s LYS 169 Ca 1.07 2.05 0.00 0.00 -1.00 0.00 0.00 55.97 58.09 1nf4 s LYS 169 Cb -1.46 -4.01 0.00 0.00 -2.06 0.00 0.00 37.83 30.30 1nf4 s LYS 169 CO 0.75 -1.00 0.00 0.41 0.10 0.00 0.00 175.35 175.61 1nf4 n GLY 170 N 4.32 4.76 0.10 0.59 0.00 -1.26 -5.09 105.19 108.61 1nf4 n GLY 170 Ca 0.18 -1.86 -0.19 0.00 0.00 0.00 0.00 46.02 44.16 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 0.72 0.21 0.00 1.61 3.57 -2.06 -3.57 116.94 117.43 1nf4 h PHE 171 Ca 0.00 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.35 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 1.30 0.00 0.28 -2.23 0.00 0.00 178.31 177.66