#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 -0.15 -0.32 1.20 2.47 -1.98 0.12 114.38 115.71 1nf4 h ARG 5 Ca 0.00 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 1nf4 h ARG 5 Cb 0.00 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 1nf4 h ARG 5 CO 0.00 -0.10 0.16 0.93 0.56 0.00 0.00 179.97 181.53 1nf4 h GLU 6 N -0.15 0.46 -0.48 0.04 4.39 -2.02 -0.87 114.58 115.94 1nf4 h GLU 6 Ca 0.21 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 1nf4 h GLU 6 Cb 0.49 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 1nf4 h GLU 6 CO -0.56 0.41 0.26 0.22 -1.16 0.00 0.00 179.01 178.18 1nf4 h ASP 7 N 0.39 0.61 0.06 1.42 3.58 -1.87 -2.01 116.42 118.60 1nf4 h ASP 7 Ca 0.11 -0.10 0.01 0.00 0.42 0.00 0.00 57.03 57.47 1nf4 h ASP 7 Cb 0.10 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 1nf4 h ASP 7 CO -0.02 0.53 -0.08 0.03 -2.88 0.00 0.00 179.24 176.83 1nf4 h ARG 8 N 0.64 -0.16 -0.70 0.28 3.08 -0.39 -2.15 114.38 114.97 1nf4 h ARG 8 Ca 0.17 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.33 1nf4 h ARG 8 Cb 0.06 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.08 1nf4 h ARG 8 CO -0.03 -0.11 0.33 0.87 -1.07 0.00 0.00 179.97 179.97 1nf4 h LYS 9 N -0.16 0.55 -0.50 0.04 1.57 -1.07 -2.33 116.57 114.67 1nf4 h LYS 9 Ca 0.01 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1nf4 h LYS 9 Cb 0.17 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1nf4 h LYS 9 CO -0.03 0.36 0.06 0.00 -0.57 0.00 0.00 179.45 179.27 1nf4 h ALA 10 N 1.44 1.16 -0.12 3.86 0.00 -1.00 -1.01 119.26 123.58 1nf4 h ALA 10 Ca 0.35 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1nf4 h ALA 10 Cb 0.39 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1nf4 h ALA 10 CO -0.28 0.55 -0.49 0.87 0.00 0.00 0.00 179.25 179.90 1nf4 h LYS 11 N 0.76 0.32 -0.11 0.00 1.57 -0.89 -1.43 116.57 116.79 1nf4 h LYS 11 Ca 0.16 -0.18 -0.23 0.00 -1.87 0.00 0.00 60.65 58.53 1nf4 h LYS 11 Cb 0.37 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.71 1nf4 h LYS 11 CO 0.01 0.74 -0.83 0.28 -0.57 0.00 0.00 179.45 179.09 1nf4 h VAL 12 N 0.26 1.28 -0.51 0.50 2.07 -1.11 -2.81 116.25 115.93 1nf4 h VAL 12 Ca 0.01 -2.03 -0.01 0.00 0.82 0.00 0.00 66.70 65.49 1nf4 h VAL 12 Cb 0.96 2.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.81 1nf4 h VAL 12 CO 0.08 0.64 0.28 0.40 0.02 0.00 0.00 177.57 178.99 1nf4 h ILE 13 N 0.47 1.16 -0.49 4.57 2.04 -1.10 0.13 117.51 124.28 1nf4 h ILE 13 Ca -0.07 -0.38 -0.10 0.00 1.00 0.00 0.00 64.86 65.31 1nf4 h ILE 13 Cb 1.47 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 1nf4 h ILE 13 CO 0.17 0.17 -0.07 -0.08 0.00 0.00 0.00 178.15 178.34 1nf4 h GLU 14 N 0.71 0.91 -0.07 2.37 4.81 -1.13 -1.17 114.58 121.01 1nf4 h GLU 14 Ca 0.18 -0.33 -0.15 0.00 -0.13 0.00 0.00 59.36 58.94 1nf4 h GLU 14 Cb 0.01 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1nf4 h GLU 14 CO -0.03 0.98 -0.61 -0.39 -0.73 0.00 0.00 179.01 178.23 1nf4 h VAL 15 N 0.77 1.39 -0.84 0.32 -1.51 -1.15 -2.08 116.25 113.15 1nf4 h VAL 15 Ca 0.13 -1.99 -0.01 0.00 -1.23 0.00 0.00 66.70 63.60 1nf4 h VAL 15 Cb 0.61 2.01 -0.04 0.00 -2.13 0.00 0.00 31.29 31.74 1nf4 h VAL 15 CO 0.04 0.59 0.48 -0.07 -1.23 0.00 0.00 177.57 177.38 1nf4 h LEU 16 N 0.17 1.03 -0.57 4.19 3.38 -0.49 -0.37 115.31 122.65 1nf4 h LEU 16 Ca -0.01 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 1nf4 h LEU 16 Cb 1.11 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1nf4 h LEU 16 CO 0.09 0.81 -0.54 0.78 0.09 0.00 0.00 178.44 179.68 1nf4 h ASN 17 N 1.16 0.55 -0.72 -0.43 2.35 -1.08 0.09 115.58 117.50 1nf4 h ASN 17 Ca 0.30 -0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1nf4 h ASN 17 Cb -0.00 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 1nf4 h ASN 17 CO -0.05 0.98 0.43 0.11 -1.65 0.00 0.00 177.43 177.25 1nf4 h LYS 18 N 0.39 0.98 -0.30 0.81 1.57 -0.97 0.13 116.57 119.18 1nf4 h LYS 18 Ca 0.01 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 1nf4 h LYS 18 Cb 1.07 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1nf4 h LYS 18 CO 0.10 0.70 -0.08 0.00 -0.57 0.00 0.00 179.45 179.60 1nf4 h ALA 19 N 1.22 0.41 -0.82 3.86 0.00 -0.77 -2.18 119.26 120.98 1nf4 h ALA 19 Ca 0.26 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1nf4 h ALA 19 Cb -0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1nf4 h ALA 19 CO -0.05 0.24 0.54 -0.09 0.00 0.00 0.00 179.25 179.89 1nf4 h ARG 20 N 0.34 1.08 -0.73 0.00 2.43 -0.75 0.80 114.38 117.55 1nf4 h ARG 20 Ca 0.07 -0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 1nf4 h ARG 20 Cb 0.56 -0.24 -0.05 0.00 -0.42 0.00 0.00 29.97 29.82 1nf4 h ARG 20 CO 0.03 0.71 0.48 0.00 -1.51 0.00 0.00 179.97 179.69 1nf4 h ALA 21 N 1.30 1.76 -0.11 2.80 0.00 -0.58 0.48 119.26 124.90 1nf4 h ALA 21 Ca 0.30 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.02 1nf4 h ALA 21 Cb -0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1nf4 h ALA 21 CO -0.07 0.10 -0.67 0.52 0.00 0.00 0.00 179.25 179.14 1nf4 h MET 22 N 0.70 0.45 -0.64 0.00 2.86 -0.45 0.11 114.93 117.96 1nf4 h MET 22 Ca 0.33 -0.33 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1nf4 h MET 22 Cb 0.36 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 1nf4 h MET 22 CO -0.11 0.96 0.29 0.93 1.06 0.00 0.00 176.91 180.03 1nf4 h GLU 23 N 0.32 0.94 -0.70 1.72 4.39 0.36 -1.61 114.58 120.00 1nf4 h GLU 23 Ca -0.02 -0.15 -0.06 0.00 0.34 0.00 0.00 59.36 59.47 1nf4 h GLU 23 Cb 1.23 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.69 1nf4 h GLU 23 CO 0.12 0.77 0.22 -0.07 -1.16 0.00 0.00 179.01 178.89 1nf4 h LEU 24 N 0.90 1.03 -0.34 1.33 3.38 -0.85 -0.58 115.31 120.17 1nf4 h LEU 24 Ca 0.22 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1nf4 h LEU 24 Cb 0.15 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1nf4 h LEU 24 CO -0.02 0.96 0.07 -0.74 0.09 0.00 0.00 178.44 178.80 1nf4 h HIS 25 N 1.03 0.12 -0.78 1.13 2.76 -1.25 -2.92 115.15 115.24 1nf4 h HIS 25 Ca 0.23 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.37 1nf4 h HIS 25 Cb 0.30 -0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.23 1nf4 h HIS 25 CO 0.02 0.03 0.30 0.00 -1.30 0.00 0.00 177.93 176.98 1nf4 h ALA 26 N 1.25 1.05 -0.64 5.26 0.00 -0.71 -0.89 119.26 124.59 1nf4 h ALA 26 Ca 0.16 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1nf4 h ALA 26 Cb 0.17 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1nf4 h ALA 26 CO -0.21 0.67 0.37 0.82 0.00 0.00 0.00 179.25 180.90 1nf4 h ILE 27 N 1.15 1.01 -0.06 0.00 2.04 -0.94 -0.60 117.51 120.10 1nf4 h ILE 27 Ca 0.26 -0.24 -0.24 0.00 1.00 0.00 0.00 64.86 65.64 1nf4 h ILE 27 Cb 0.23 0.25 0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1nf4 h ILE 27 CO -0.02 0.13 -0.91 0.45 0.00 0.00 0.00 178.15 177.80 1nf4 h HIS 28 N 0.70 0.93 -0.32 1.37 3.86 -1.35 -1.99 115.15 118.35 1nf4 h HIS 28 Ca 0.28 -0.46 -0.03 0.00 -1.16 0.00 0.00 60.37 59.00 1nf4 h HIS 28 Cb 0.12 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 1nf4 h HIS 28 CO -0.07 1.29 0.10 0.37 0.86 0.00 0.00 177.93 180.48 1nf4 h GLN 29 N 0.41 0.50 -0.22 2.45 5.75 -1.01 -1.16 115.11 121.84 1nf4 h GLN 29 Ca -0.09 -0.11 -0.18 0.00 -0.15 0.00 0.00 58.65 58.13 1nf4 h GLN 29 Cb 1.54 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 30.02 1nf4 h GLN 29 CO 0.18 0.54 -0.59 1.88 -2.65 0.00 0.00 178.83 178.18 1nf4 h TYR 30 N 0.37 0.90 -0.32 3.99 0.99 -1.16 -2.33 116.97 119.41 1nf4 h TYR 30 Ca 0.10 -0.34 -0.12 0.00 2.00 0.00 0.00 58.73 60.38 1nf4 h TYR 30 Cb 0.25 -0.16 -0.01 0.00 1.00 0.00 0.00 36.73 37.80 1nf4 h TYR 30 CO 0.01 1.12 -0.28 0.52 -0.00 0.00 0.00 178.16 179.53 1nf4 h MET 31 N 0.53 0.66 -0.37 4.88 2.86 -1.35 0.15 114.93 122.29 1nf4 h MET 31 Ca -0.00 -0.28 0.02 0.00 -2.06 0.00 0.00 59.70 57.38 1nf4 h MET 31 Cb 1.18 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.79 1nf4 h MET 31 CO 0.12 0.86 0.21 -0.97 1.06 0.00 0.00 176.91 178.19 1nf4 h ASN 32 N 0.57 0.33 -0.07 1.22 -1.24 -1.09 0.61 115.58 115.90 1nf4 h ASN 32 Ca 0.07 0.01 -0.07 0.00 0.71 0.00 0.00 56.30 57.02 1nf4 h ASN 32 Cb 0.77 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.74 1nf4 h ASN 32 CO 0.06 0.24 -0.16 1.56 -1.29 0.00 0.00 177.43 177.84 1nf4 h GLN 33 N 0.42 0.42 -0.92 6.67 4.20 -1.09 -2.00 115.11 122.81 1nf4 h GLN 33 Ca 0.15 -0.12 0.01 0.00 0.06 0.00 0.00 58.65 58.75 1nf4 h GLN 33 Cb 0.02 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.71 1nf4 h GLN 33 CO -0.08 0.57 0.61 1.25 -0.67 0.00 0.00 178.83 180.51 1nf4 h HIS 34 N 0.39 1.16 -0.69 2.96 2.76 0.07 -0.68 115.15 121.12 1nf4 h HIS 34 Ca 0.07 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.23 1nf4 h HIS 34 Cb 0.50 -0.39 -0.03 0.00 1.55 0.00 0.00 27.41 29.04 1nf4 h HIS 34 CO 0.01 0.73 0.27 1.88 -1.30 0.00 0.00 177.93 179.52 1nf4 h TYR 35 N 1.25 1.06 -0.39 5.26 0.99 -0.16 -1.68 116.97 123.29 1nf4 h TYR 35 Ca 0.34 -0.08 -0.02 0.00 2.00 0.00 0.00 58.73 60.97 1nf4 h TYR 35 Cb -0.14 -0.32 -0.02 0.00 1.00 0.00 0.00 36.73 37.25 1nf4 h TYR 35 CO -0.01 0.82 0.17 0.77 -0.00 0.00 0.00 178.16 179.92 1nf4 h SER 36 N 0.98 0.53 -0.39 3.88 0.02 -1.12 -1.05 113.55 116.40 1nf4 h SER 36 Ca 0.23 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1nf4 h SER 36 Cb 0.22 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1nf4 h SER 36 CO -0.02 0.53 0.06 -0.07 -1.14 0.00 0.00 176.83 176.20 1nf4 h LEU 37 N 0.49 0.69 -0.31 5.07 3.38 -0.98 0.87 115.31 124.52 1nf4 h LEU 37 Ca 0.13 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1nf4 h LEU 37 Cb 0.16 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1nf4 h LEU 37 CO -0.01 0.72 -0.17 -0.78 0.09 0.00 0.00 178.44 178.29 1nf4 h ASP 38 N 0.70 0.68 -0.63 -0.43 1.82 -1.15 0.15 116.42 117.57 1nf4 h ASP 38 Ca 0.15 -0.42 -0.01 0.00 -0.39 0.00 0.00 57.03 56.36 1nf4 h ASP 38 Cb 0.34 -0.19 -0.03 0.00 0.68 0.00 0.00 39.33 40.14 1nf4 h ASP 38 CO 0.01 0.94 0.34 -0.78 -1.61 0.00 0.00 179.24 178.15 1nf4 h ASP 39 N 0.41 0.80 1.03 2.28 3.58 -0.82 0.03 116.42 123.73 1nf4 h ASP 39 Ca 0.07 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1nf4 h ASP 39 Cb 0.70 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.54 1nf4 h ASP 39 CO 0.05 0.66 0.00 0.23 -2.88 0.00 0.00 179.24 177.29 1nf4 n MET 40 N -4.37 0.21 -3.12 0.28 2.81 0.27 -4.94 117.12 108.26 1nf4 n MET 40 Ca 0.06 0.32 -0.14 0.00 -1.81 0.00 0.00 57.70 56.13 1nf4 n MET 40 Cb 0.11 -1.82 0.05 0.00 -0.71 0.00 0.00 33.22 30.85 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 -2.20 -3.97 -4.09 7.83 2.03 -0.00 -4.94 116.55 111.21 1nf4 n ASP 41 Ca 0.04 -0.36 -0.40 0.00 0.52 0.00 0.00 54.79 54.58 1nf4 n ASP 41 Cb 0.31 -3.44 -0.02 0.00 -0.72 0.00 0.00 41.12 37.25 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 -3.78 3.96 -0.05 -0.67 0.53 -0.61 -2.21 117.16 114.33 1nf4 n TYR 42 Ca -0.05 -3.61 -0.08 0.00 -1.02 0.00 0.00 57.90 53.14 1nf4 n TYR 42 Cb 0.56 -1.31 -0.01 0.00 -1.03 0.00 0.00 39.34 37.55 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 5.87 0.02 0.73 2.72 0.00 -1.65 -0.35 103.07 110.41 1nf4 h GLY 43 Ca 0.18 0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.75 1nf4 h GLY 43 CO 1.05 -0.16 0.32 -2.09 0.00 0.00 0.00 176.54 175.66 1nf4 h GLU 44 N -0.14 0.59 -0.39 4.80 4.81 -1.75 0.51 114.58 123.01 1nf4 h GLU 44 Ca 0.14 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 1nf4 h GLU 44 Cb 0.34 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1nf4 h GLU 44 CO -0.33 0.39 -0.07 -0.07 -0.73 0.00 0.00 179.01 178.20 1nf4 h LEU 45 N 0.61 0.74 -0.29 1.64 3.38 -1.71 -2.05 115.31 117.62 1nf4 h LEU 45 Ca 0.25 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1nf4 h LEU 45 Cb 0.14 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1nf4 h LEU 45 CO -0.16 0.91 0.07 0.00 0.09 0.00 0.00 178.44 179.35 1nf4 h ALA 46 N 0.85 0.31 0.00 1.53 0.00 -0.56 -1.11 119.26 120.28 1nf4 h ALA 46 Ca 0.10 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1nf4 h ALA 46 Cb 0.58 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1nf4 h ALA 46 CO 0.03 -0.34 -0.00 0.00 0.00 0.00 0.00 179.25 178.94 1nf4 h ALA 47 N 1.21 -0.00 -0.23 0.00 0.00 0.08 -2.57 119.26 117.74 1nf4 h ALA 47 Ca 0.13 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1nf4 h ALA 47 Cb 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1nf4 h ALA 47 CO -0.17 -0.47 -0.32 -0.91 0.00 0.00 0.00 179.25 177.39 1nf4 h ASN 48 N -0.08 0.49 -0.65 0.00 2.35 -1.30 -1.63 115.58 114.77 1nf4 h ASN 48 Ca -0.00 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1nf4 h ASN 48 Cb 0.08 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 1nf4 h ASN 48 CO 0.00 0.78 0.42 -0.03 -1.65 0.00 0.00 177.43 176.95 1nf4 h MET 49 N 0.41 0.87 -0.45 0.81 4.05 -1.12 -1.28 114.93 118.21 1nf4 h MET 49 Ca 0.05 -0.06 -0.07 0.00 -0.28 0.00 0.00 59.70 59.34 1nf4 h MET 49 Cb 0.76 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.35 1nf4 h MET 49 CO 0.06 0.59 0.00 -0.22 0.23 0.00 0.00 176.91 177.58 1nf4 h LYS 50 N 0.88 0.79 -0.89 0.39 3.64 -1.15 -0.97 116.57 119.27 1nf4 h LYS 50 Ca 0.24 -0.25 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1nf4 h LYS 50 Cb -0.07 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.63 1nf4 h LYS 50 CO -0.05 0.85 0.59 -0.07 -2.27 0.00 0.00 179.45 178.50 1nf4 h LEU 51 N 0.64 0.99 -0.75 5.20 3.38 -1.03 0.44 115.31 124.18 1nf4 h LEU 51 Ca 0.13 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 1nf4 h LEU 51 Cb 0.49 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1nf4 h LEU 51 CO 0.02 0.70 -0.23 0.40 0.09 0.00 0.00 178.44 179.42 1nf4 h ILE 52 N 1.16 1.27 -0.66 1.22 2.04 -1.00 -1.71 117.51 119.84 1nf4 h ILE 52 Ca 0.34 -1.32 0.01 0.00 1.00 0.00 0.00 64.86 64.90 1nf4 h ILE 52 Cb -0.05 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1nf4 h ILE 52 CO -0.09 0.44 0.43 0.00 0.00 0.00 0.00 178.15 178.93 1nf4 h ALA 53 N 1.13 1.56 -0.05 1.87 0.00 0.25 -1.47 119.26 122.55 1nf4 h ALA 53 Ca 0.09 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1nf4 h ALA 53 Cb 0.71 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1nf4 h ALA 53 CO 0.05 0.40 -0.56 0.82 0.00 0.00 0.00 179.25 179.96 1nf4 h ILE 54 N 0.86 1.38 -0.48 0.00 2.04 -0.60 -1.11 117.51 119.59 1nf4 h ILE 54 Ca 0.25 -1.90 0.03 0.00 1.00 0.00 0.00 64.86 64.24 1nf4 h ILE 54 Cb -0.06 1.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 1nf4 h ILE 54 CO -0.06 0.56 0.28 0.44 0.00 0.00 0.00 178.15 179.36 1nf4 h ASP 55 N 0.13 0.44 -0.21 1.72 3.32 -0.38 -1.58 116.42 119.85 1nf4 h ASP 55 Ca -0.00 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 1nf4 h ASP 55 Cb 1.03 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 1nf4 h ASP 55 CO 0.08 0.31 -0.10 -0.33 -1.72 0.00 0.00 179.24 177.49 1nf4 h GLU 56 N 0.55 0.58 -0.50 3.56 4.39 -1.03 0.69 114.58 122.82 1nf4 h GLU 56 Ca 0.20 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.75 1nf4 h GLU 56 Cb 0.04 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 1nf4 h GLU 56 CO -0.10 0.67 0.31 0.52 -1.16 0.00 0.00 179.01 179.25 1nf4 h MET 57 N 0.53 0.62 -0.31 2.33 2.86 -1.00 0.10 114.93 120.07 1nf4 h MET 57 Ca 0.10 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.62 1nf4 h MET 57 Cb 0.49 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1nf4 h MET 57 CO 0.03 0.41 -0.18 -0.09 1.06 0.00 0.00 176.91 178.14 1nf4 h ARG 58 N 0.63 0.55 -0.24 1.72 2.43 -0.69 -1.38 114.38 117.41 1nf4 h ARG 58 Ca 0.19 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1nf4 h ARG 58 Cb -0.03 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1nf4 h ARG 58 CO -0.07 0.71 0.09 0.45 -1.51 0.00 0.00 179.97 179.64 1nf4 h HIS 59 N 0.50 0.37 -0.74 2.20 3.86 -0.37 -0.19 115.15 120.79 1nf4 h HIS 59 Ca 0.08 -0.03 0.15 0.00 -1.16 0.00 0.00 60.37 59.41 1nf4 h HIS 59 Cb 0.59 -0.11 -0.10 0.00 1.06 0.00 0.00 27.41 28.85 1nf4 h HIS 59 CO 0.02 0.41 0.25 0.00 0.86 0.00 0.00 177.93 179.47 1nf4 h ALA 60 N 0.92 1.01 -0.36 2.45 0.00 -0.45 -0.60 119.26 122.23 1nf4 h ALA 60 Ca 0.08 0.14 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 1nf4 h ALA 60 Cb 0.21 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1nf4 h ALA 60 CO -0.00 -0.27 -0.28 1.49 0.00 0.00 0.00 179.25 180.19 1nf4 h GLU 61 N 0.36 0.82 -0.42 0.00 4.81 -1.05 -1.64 114.58 117.47 1nf4 h GLU 61 Ca 0.41 -0.40 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 1nf4 h GLU 61 Cb 0.66 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 1nf4 h GLU 61 CO -0.45 1.04 -0.06 -0.91 -0.73 0.00 0.00 179.01 177.91 1nf4 h ASN 62 N 0.62 0.68 -0.17 1.04 -0.26 -0.42 -1.42 115.58 115.65 1nf4 h ASN 62 Ca 0.07 -0.18 -0.02 0.00 -0.56 0.00 0.00 56.30 55.61 1nf4 h ASN 62 Cb 0.85 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.92 1nf4 h ASN 62 CO 0.07 0.79 0.01 -0.26 -1.06 0.00 0.00 177.43 176.98 1nf4 h PHE 63 N 0.65 0.31 -0.65 1.19 0.05 -1.01 -1.94 116.94 115.54 1nf4 h PHE 63 Ca 0.12 -0.05 0.10 0.00 3.82 0.00 0.00 57.97 61.96 1nf4 h PHE 63 Cb 0.49 -0.08 -0.08 0.00 2.00 0.00 0.00 35.95 38.28 1nf4 h PHE 63 CO 0.02 0.49 0.26 0.00 -0.18 0.00 0.00 178.31 178.90 1nf4 h ALA 64 N 0.78 0.86 -0.40 2.45 0.00 -1.17 0.63 119.26 122.42 1nf4 h ALA 64 Ca 0.05 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1nf4 h ALA 64 Cb 0.36 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1nf4 h ALA 64 CO 0.01 -0.17 -0.21 0.93 0.00 0.00 0.00 179.25 179.81 1nf4 h GLU 65 N 0.45 0.78 -0.30 0.00 5.08 -1.14 -0.86 114.58 118.59 1nf4 h GLU 65 Ca 0.33 -0.30 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1nf4 h GLU 65 Cb 0.41 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1nf4 h GLU 65 CO -0.31 0.92 -0.21 -0.09 -1.00 0.00 0.00 179.01 178.31 1nf4 h ARG 66 N 0.68 0.67 -0.70 2.33 9.65 -0.75 -1.80 114.38 124.46 1nf4 h ARG 66 Ca 0.10 -0.32 0.12 0.00 -1.10 0.00 0.00 59.98 58.77 1nf4 h ARG 66 Cb 0.71 -0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.21 1nf4 h ARG 66 CO 0.05 0.93 0.28 0.82 2.80 0.00 0.00 179.97 184.85 1nf4 h ILE 67 N 0.42 0.72 -0.67 1.20 2.04 -0.59 -1.47 117.51 119.16 1nf4 h ILE 67 Ca 0.06 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 1nf4 h ILE 67 Cb 0.76 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1nf4 h ILE 67 CO 0.06 0.08 0.21 0.11 0.00 0.00 0.00 178.15 178.61 1nf4 h LYS 68 N 0.46 1.04 0.00 2.37 1.79 -1.03 -0.42 116.57 120.77 1nf4 h LYS 68 Ca 0.37 -0.22 -0.01 0.00 -2.18 0.00 0.00 60.65 58.61 1nf4 h LYS 68 Cb 0.51 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1nf4 h LYS 68 CO -0.36 0.90 -0.02 0.93 -1.08 0.00 0.00 179.45 179.82 1nf4 h GLU 69 N 0.97 0.00 -0.06 3.15 5.08 -0.41 -1.27 114.58 122.04 1nf4 h GLU 69 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1nf4 h GLU 69 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1nf4 h GLU 69 CO -0.01 0.02 0.00 1.28 -1.00 0.00 0.00 179.01 179.31 1nf4 n LEU 70 N -4.09 2.22 0.00 1.33 4.77 -0.64 -4.95 117.00 115.64 1nf4 n LEU 70 Ca -0.03 -0.78 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 1nf4 n LEU 70 Cb 0.11 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1nf4 n LEU 70 CO 0.30 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1nf4 n GLY 71 N 1.26 0.77 4.01 -0.72 0.00 -0.48 -4.97 105.19 105.05 1nf4 n GLY 71 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.74 1.75 -0.17 -0.02 0.00 -0.24 -4.98 107.32 101.92 1nf4 s GLY 72 Ca 0.00 -1.87 -0.02 0.00 0.00 0.00 0.00 44.72 42.83 1nf4 s GLY 72 CO 0.00 -1.32 -0.07 1.85 0.00 0.00 0.00 173.10 173.55 1nf4 s GLU 73 N -5.02 3.45 0.05 2.90 2.56 -1.26 -4.11 118.70 117.27 1nf4 s GLU 73 Ca 0.65 -0.62 -0.31 0.00 0.00 0.00 0.00 54.97 54.70 1nf4 s GLU 73 Cb -0.05 -2.85 -0.06 0.00 2.00 0.00 0.00 34.13 33.17 1nf4 s GLU 73 CO 0.43 0.06 1.32 -2.14 -0.56 0.00 0.00 175.26 174.37 1nf4 s PRO 74 N 0.79 4.34 0.78 4.30 0.02 -1.26 -5.00 135.00 138.98 1nf4 s PRO 74 Ca -0.03 1.92 -0.14 0.00 0.02 0.00 0.00 61.00 62.77 1nf4 s PRO 74 Cb -0.15 -3.41 0.04 0.00 0.02 0.00 0.00 34.50 31.01 1nf4 s PRO 74 CO 0.01 -0.43 1.00 -2.37 -0.33 0.00 0.00 177.00 174.88 1nf4 n THR 75 N 4.22 2.11 -0.19 0.99 5.66 -1.26 -4.96 114.28 120.86 1nf4 n THR 75 Ca 0.11 -0.28 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1nf4 n THR 75 Cb 0.44 -1.08 0.00 0.00 -1.55 0.00 0.00 70.33 68.14 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 -2.98 0.60 -4.41 1.09 -2.24 -1.26 -4.92 114.28 100.16 1nf4 n THR 76 Ca 0.12 -0.70 -0.35 0.00 -2.27 0.00 0.00 64.05 60.85 1nf4 n THR 76 Cb 0.50 0.75 -0.10 0.00 -2.10 0.00 0.00 70.33 69.39 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 -0.60 2.98 0.50 -0.78 -1.52 -1.26 -5.11 119.66 113.88 1nf4 s GLN 77 Ca 0.00 -0.43 -0.15 0.00 -1.95 0.00 0.00 55.36 52.83 1nf4 s GLN 77 Cb 0.00 -2.77 -0.07 0.00 -0.22 0.00 0.00 33.01 29.95 1nf4 s GLN 77 CO 0.00 0.68 0.96 -1.59 -0.25 0.00 0.00 175.29 175.09 1nf4 s LYS 78 N -0.82 3.90 -0.12 2.91 -2.85 -1.26 -4.48 119.74 117.02 1nf4 s LYS 78 Ca 0.12 0.87 -0.19 0.00 -1.00 0.00 0.00 55.97 55.78 1nf4 s LYS 78 Cb -0.11 -2.17 -0.04 0.00 -2.06 0.00 0.00 37.83 33.45 1nf4 s LYS 78 CO 0.02 -0.25 0.50 -2.00 0.10 0.00 0.00 175.35 173.72 1nf4 s GLU 79 N -4.10 4.33 0.00 1.78 2.56 0.36 -4.88 118.70 118.75 1nf4 s GLU 79 Ca 0.58 0.49 0.00 0.00 0.00 0.00 0.00 54.97 56.03 1nf4 s GLU 79 Cb -0.10 -3.45 0.00 0.00 2.00 0.00 0.00 34.13 32.58 1nf4 s GLU 79 CO 0.33 0.11 0.00 0.41 -0.56 0.00 0.00 175.26 175.55 1nf4 n GLY 80 N 3.32 -1.20 3.83 -1.50 0.00 -1.26 -4.60 105.19 103.78 1nf4 n GLY 80 Ca -0.06 -1.61 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.65 3.12 0.11 1.61 1.02 -1.26 -4.98 119.74 117.71 1nf4 s LYS 81 Ca 0.00 -0.57 -0.29 0.00 0.02 0.00 0.00 55.97 55.14 1nf4 s LYS 81 Cb 0.00 -2.87 -0.06 0.00 -0.52 0.00 0.00 37.83 34.38 1nf4 s LYS 81 CO 0.00 0.59 0.91 0.08 -0.92 0.00 0.00 175.35 176.02 1nf4 s VAL 82 N -1.41 4.50 -0.23 3.17 1.01 -1.26 -5.03 120.40 121.15 1nf4 s VAL 82 Ca 0.31 1.97 -0.14 0.00 0.00 0.00 0.00 61.98 64.12 1nf4 s VAL 82 Cb -0.12 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 1nf4 s VAL 82 CO 0.23 0.35 0.33 -0.69 0.00 0.00 0.00 175.10 175.32 1nf4 s VAL 83 N -0.17 5.24 0.45 2.92 1.01 -1.26 -5.09 120.40 123.50 1nf4 s VAL 83 Ca 0.44 0.53 0.07 0.00 0.00 0.00 0.00 61.98 63.03 1nf4 s VAL 83 Cb -0.23 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 1nf4 s VAL 83 CO 0.29 0.25 0.37 0.42 0.00 0.00 0.00 175.10 176.42 1nf4 s THR 84 N 1.44 2.38 -1.35 3.92 -4.23 -1.26 -4.69 115.64 111.84 1nf4 s THR 84 Ca 0.15 -1.42 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 1nf4 s THR 84 Cb -0.15 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 70.90 1nf4 s THR 84 CO 0.08 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 1nf4 n GLY 85 N -1.57 1.36 3.73 3.99 0.00 -1.26 -4.98 105.19 106.47 1nf4 n GLY 85 Ca 0.02 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.07 4.43 0.76 1.61 -0.21 -1.26 -5.01 119.66 116.91 1nf4 s GLN 86 Ca 0.00 1.96 -0.11 0.00 0.02 0.00 0.00 55.36 57.23 1nf4 s GLN 86 Cb 0.00 -3.23 0.05 0.00 1.00 0.00 0.00 33.01 30.83 1nf4 s GLN 86 CO 0.00 -0.19 1.08 0.00 -2.12 0.00 0.00 175.29 174.06 1nf4 s ALA 87 N 0.14 2.32 0.17 6.09 0.00 -1.26 -4.75 121.76 124.47 1nf4 s ALA 87 Ca 0.55 0.12 -0.22 0.00 0.00 0.00 0.00 51.96 52.42 1nf4 s ALA 87 Cb -0.34 -3.22 0.09 0.00 0.00 0.00 0.00 23.12 19.65 1nf4 s ALA 87 CO 0.37 -1.65 1.60 0.28 0.00 0.00 0.00 175.76 176.36 1nf4 h VAL 88 N -1.03 0.24 -0.74 0.00 2.07 -2.00 -0.03 116.25 114.76 1nf4 h VAL 88 Ca -0.45 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.17 1nf4 h VAL 88 Cb 1.23 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 1nf4 h VAL 88 CO 0.54 0.00 0.49 -0.65 0.02 0.00 0.00 177.57 177.97 1nf4 h PRO 89 N -0.21 0.63 -0.05 1.57 0.11 -1.98 -2.37 132.00 129.70 1nf4 h PRO 89 Ca 0.20 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 66.09 1nf4 h PRO 89 Cb 0.53 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 1nf4 h PRO 89 CO -0.57 0.42 -0.73 0.28 -0.21 0.00 0.00 178.00 177.19 1nf4 h VAL 90 N 0.65 1.42 -0.03 3.15 2.07 -1.43 -2.48 116.25 119.60 1nf4 h VAL 90 Ca 0.34 -2.23 0.02 0.00 0.82 0.00 0.00 66.70 65.65 1nf4 h VAL 90 Cb 0.46 2.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 1nf4 h VAL 90 CO -0.12 0.66 -0.09 0.40 0.02 0.00 0.00 177.57 178.44 1nf4 h ILE 91 N 0.18 0.76 -0.03 4.57 2.04 -0.62 -0.62 117.51 123.79 1nf4 h ILE 91 Ca -0.03 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.64 1nf4 h ILE 91 Cb 1.29 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 1nf4 h ILE 91 CO 0.12 0.00 -0.83 1.88 0.00 0.00 0.00 178.15 179.32 1nf4 h TYR 92 N -0.14 0.44 -0.38 1.37 -1.99 -1.55 -1.41 116.97 113.31 1nf4 h TYR 92 Ca 0.05 -0.22 -0.09 0.00 2.00 0.00 0.00 58.73 60.47 1nf4 h TYR 92 Cb 0.20 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 38.87 1nf4 h TYR 92 CO -0.17 1.01 -0.11 1.49 -0.00 0.00 0.00 178.16 180.37 1nf4 h GLU 93 N 0.19 0.74 -0.39 4.88 4.81 -1.33 -2.18 114.58 121.30 1nf4 h GLU 93 Ca -0.05 -0.29 -0.13 0.00 -0.13 0.00 0.00 59.36 58.76 1nf4 h GLU 93 Cb 1.43 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.76 1nf4 h GLU 93 CO 0.14 0.90 -0.27 0.77 -0.73 0.00 0.00 179.01 179.81 1nf4 h SER 94 N 0.55 0.85 -0.19 1.04 0.02 -1.11 -2.09 113.55 112.63 1nf4 h SER 94 Ca 0.09 -0.33 -0.15 0.00 -0.84 0.00 0.00 61.79 60.56 1nf4 h SER 94 Cb 0.63 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1nf4 h SER 94 CO 0.04 1.07 -0.40 0.44 -1.14 0.00 0.00 176.83 176.84 1nf4 h ASP 95 N 0.71 0.77 -0.75 3.07 3.32 -1.24 0.23 116.42 122.54 1nf4 h ASP 95 Ca 0.09 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 56.75 1nf4 h ASP 95 Cb 0.81 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 1nf4 h ASP 95 CO 0.07 1.08 0.34 0.00 -1.72 0.00 0.00 179.24 179.01 1nf4 h ALA 96 N 0.96 0.96 -0.44 3.45 0.00 -1.33 0.01 119.26 122.87 1nf4 h ALA 96 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1nf4 h ALA 96 Cb 0.94 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1nf4 h ALA 96 CO 0.09 0.55 0.29 -0.44 0.00 0.00 0.00 179.25 179.73 1nf4 h ASP 97 N 1.06 0.51 -0.48 0.00 3.32 -0.82 -1.23 116.42 118.77 1nf4 h ASP 97 Ca 0.25 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 1nf4 h ASP 97 Cb 0.15 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1nf4 h ASP 97 CO -0.03 0.38 0.25 -0.61 -1.72 0.00 0.00 179.24 177.51 1nf4 h GLN 98 N 0.59 0.67 -0.46 3.56 4.15 -0.16 -1.29 115.11 122.18 1nf4 h GLN 98 Ca 0.16 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 1nf4 h GLN 98 Cb -0.06 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.48 1nf4 h GLN 98 CO -0.03 0.54 0.25 0.93 -1.93 0.00 0.00 178.83 178.59 1nf4 h GLU 99 N 0.63 0.65 -0.38 1.69 4.39 -0.73 0.70 114.58 121.52 1nf4 h GLU 99 Ca 0.17 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.82 1nf4 h GLU 99 Cb 0.07 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 1nf4 h GLU 99 CO -0.03 0.51 0.18 0.22 -1.16 0.00 0.00 179.01 178.74 1nf4 h ASP 100 N 0.61 0.25 -0.22 1.42 1.82 -1.13 0.04 116.42 119.22 1nf4 h ASP 100 Ca 0.16 0.02 -0.06 0.00 -0.39 0.00 0.00 57.03 56.77 1nf4 h ASP 100 Cb 0.06 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.03 1nf4 h ASP 100 CO -0.03 0.19 -0.03 0.00 -1.61 0.00 0.00 179.24 177.76 1nf4 h ALA 101 N 1.21 1.33 -0.27 -0.78 0.00 -0.85 -1.45 119.26 118.45 1nf4 h ALA 101 Ca 0.16 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1nf4 h ALA 101 Cb 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1nf4 h ALA 101 CO -0.13 0.46 0.08 1.15 0.00 0.00 0.00 179.25 180.81 1nf4 h THR 102 N 0.51 1.21 -0.82 0.00 2.02 -0.18 -0.72 112.91 114.93 1nf4 h THR 102 Ca 0.11 -0.66 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 1nf4 h THR 102 Cb 0.37 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 1nf4 h THR 102 CO 0.01 0.22 0.43 0.40 0.37 0.00 0.00 175.52 176.95 1nf4 h ILE 103 N 0.27 1.25 -0.28 3.11 2.04 -0.76 0.02 117.51 123.16 1nf4 h ILE 103 Ca 0.09 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.32 1nf4 h ILE 103 Cb 0.26 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1nf4 h ILE 103 CO -0.00 0.28 0.16 -0.33 0.00 0.00 0.00 178.15 178.26 1nf4 h GLU 104 N 1.14 0.32 -0.38 2.37 4.39 -0.96 -1.09 114.58 120.37 1nf4 h GLU 104 Ca 0.28 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.85 1nf4 h GLU 104 Cb 0.06 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1nf4 h GLU 104 CO -0.04 0.21 -0.21 0.00 -1.16 0.00 0.00 179.01 177.81 1nf4 h ALA 105 N 1.13 0.54 -0.16 3.43 0.00 -0.75 -2.97 119.26 120.48 1nf4 h ALA 105 Ca 0.11 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1nf4 h ALA 105 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1nf4 h ALA 105 CO -0.06 0.50 -0.15 1.88 0.00 0.00 0.00 179.25 181.42 1nf4 h TYR 106 N 0.62 0.27 -0.57 0.00 -1.99 -0.89 0.66 116.97 115.07 1nf4 h TYR 106 Ca 0.08 -0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.74 1nf4 h TYR 106 Cb 0.76 -0.07 -0.03 0.00 2.00 0.00 0.00 36.73 39.39 1nf4 h TYR 106 CO 0.06 0.41 0.18 0.77 -0.00 0.00 0.00 178.16 179.58 1nf4 h SER 107 N 0.24 0.78 0.25 3.88 0.02 -1.06 0.32 113.55 117.98 1nf4 h SER 107 Ca 0.05 -0.12 -0.24 0.00 -0.84 0.00 0.00 61.79 60.64 1nf4 h SER 107 Cb 0.42 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 62.77 1nf4 h SER 107 CO 0.03 0.74 -0.98 1.56 -1.14 0.00 0.00 176.83 177.03 1nf4 h GLN 108 N 0.83 0.49 -0.79 3.45 1.08 -1.21 -2.72 115.11 116.25 1nf4 h GLN 108 Ca 0.19 -0.53 -0.01 0.00 -1.45 0.00 0.00 58.65 56.85 1nf4 h GLN 108 Cb 0.23 0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.78 1nf4 h GLN 108 CO -0.01 1.17 0.45 0.74 -0.95 0.00 0.00 178.83 180.23 1nf4 h PHE 109 N 0.27 1.06 -0.48 2.96 0.05 -0.46 -1.90 116.94 118.45 1nf4 h PHE 109 Ca -0.10 -0.02 0.07 0.00 3.82 0.00 0.00 57.97 61.74 1nf4 h PHE 109 Cb 1.62 -0.34 -0.06 0.00 2.00 0.00 0.00 35.95 39.17 1nf4 h PHE 109 CO 0.07 0.73 0.15 1.25 -0.18 0.00 0.00 178.31 180.34 1nf4 h LEU 110 N 1.08 0.14 -0.77 1.54 6.46 -0.36 -1.92 115.31 121.49 1nf4 h LEU 110 Ca 0.28 0.06 0.03 0.00 -0.12 0.00 0.00 57.88 58.13 1nf4 h LEU 110 Cb 0.01 0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 39.95 1nf4 h LEU 110 CO -0.05 0.11 0.48 0.50 -0.62 0.00 0.00 178.44 178.87 1nf4 h LYS 111 N 0.32 0.91 -0.48 1.25 3.64 -1.12 -1.34 116.57 119.75 1nf4 h LYS 111 Ca 0.23 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.58 1nf4 h LYS 111 Cb 0.25 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1nf4 h LYS 111 CO -0.25 0.60 0.28 0.28 -2.27 0.00 0.00 179.45 178.10 1nf4 h VAL 112 N 0.94 1.04 -0.90 2.00 2.07 -0.84 -0.08 116.25 120.49 1nf4 h VAL 112 Ca 0.31 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.68 1nf4 h VAL 112 Cb 0.03 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.17 1nf4 h VAL 112 CO -0.12 0.10 0.58 0.00 0.02 0.00 0.00 177.57 178.16 1nf4 h LYS 114 N 1.10 0.34 -0.81 0.00 1.57 -0.79 0.22 116.57 118.21 1nf4 h LYS 114 Ca 0.37 -0.09 0.06 0.00 -1.87 0.00 0.00 60.65 59.12 1nf4 h LYS 114 Cb 0.05 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 1nf4 h LYS 114 CO -0.13 0.48 0.53 0.93 -0.57 0.00 0.00 179.45 180.68 1nf4 h GLU 115 N 0.15 0.88 -0.04 3.15 5.08 -0.48 -1.33 114.58 121.98 1nf4 h GLU 115 Ca 0.06 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1nf4 h GLU 115 Cb 0.30 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1nf4 h GLU 115 CO 0.00 0.58 0.00 1.04 -1.00 0.00 0.00 179.01 179.63 1nf4 n GLN 116 N -4.48 1.20 -2.16 2.33 1.13 0.15 -4.92 117.38 110.64 1nf4 n GLN 116 Ca 0.12 -0.30 -0.13 0.00 -1.94 0.00 0.00 57.00 54.74 1nf4 n GLN 116 Cb 0.20 -1.36 -0.01 0.00 0.11 0.00 0.00 30.24 29.18 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 0.92 -0.01 3.21 1.08 0.00 -0.50 -4.89 105.19 105.01 1nf4 n GLY 117 Ca 0.16 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.45 5.96 0.23 1.61 -1.08 0.72 -4.90 116.67 116.76 1nf4 s ASP 118 Ca 0.00 -2.64 -0.01 0.00 -0.52 0.00 0.00 52.55 49.37 1nf4 s ASP 118 Cb 0.00 -2.03 0.23 0.00 -1.46 0.00 0.00 42.92 39.66 1nf4 s ASP 118 CO 0.00 -0.51 1.61 0.40 0.52 0.00 0.00 175.17 177.19 1nf4 h ILE 119 N 5.19 1.29 -0.34 4.11 1.08 -1.94 -1.48 117.51 125.43 1nf4 h ILE 119 Ca 0.00 -1.50 -0.05 0.00 -0.39 0.00 0.00 64.86 62.93 1nf4 h ILE 119 Cb 1.01 1.48 -0.01 0.00 -3.07 0.00 0.00 36.82 36.22 1nf4 h ILE 119 CO 0.76 0.48 0.01 0.58 -0.69 0.00 0.00 178.15 179.28 1nf4 h VAL 120 N 0.49 1.25 -0.23 1.67 2.07 -1.97 -1.44 116.25 118.10 1nf4 h VAL 120 Ca 0.05 -0.94 -0.18 0.00 0.82 0.00 0.00 66.70 66.46 1nf4 h VAL 120 Cb 0.85 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1nf4 h VAL 120 CO 0.07 0.31 -0.56 0.74 0.02 0.00 0.00 177.57 178.15 1nf4 h THR 121 N 0.40 1.30 -0.48 2.57 2.02 -1.95 -1.79 112.91 114.98 1nf4 h THR 121 Ca 0.10 -1.78 0.04 0.00 0.77 0.00 0.00 66.41 65.54 1nf4 h THR 121 Cb 0.43 1.72 -0.04 0.00 -1.74 0.00 0.00 68.15 68.52 1nf4 h THR 121 CO 0.02 0.57 0.24 0.00 0.37 0.00 0.00 175.52 176.71 1nf4 h ALA 122 N 0.82 0.61 -0.70 6.16 0.00 -1.15 -1.12 119.26 123.88 1nf4 h ALA 122 Ca 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1nf4 h ALA 122 Cb 1.14 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1nf4 h ALA 122 CO 0.12 -0.11 0.34 -0.09 0.00 0.00 0.00 179.25 179.51 1nf4 h ARG 123 N 0.48 0.99 -0.16 0.00 9.65 -1.13 -0.31 114.38 123.89 1nf4 h ARG 123 Ca 0.21 -0.13 0.02 0.00 -1.10 0.00 0.00 59.98 58.98 1nf4 h ARG 123 Cb 0.12 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 1nf4 h ARG 123 CO -0.15 0.76 0.03 1.25 2.80 0.00 0.00 179.97 184.66 1nf4 h LEU 124 N 0.99 0.00 -0.73 3.80 5.85 -0.77 -0.89 115.31 123.56 1nf4 h LEU 124 Ca 0.24 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 1nf4 h LEU 124 Cb 0.09 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1nf4 h LEU 124 CO -0.03 0.03 0.37 -0.26 -0.34 0.00 0.00 178.44 178.20 1nf4 h PHE 125 N 0.09 1.04 -0.33 1.25 -1.00 -0.52 -1.85 116.94 115.62 1nf4 h PHE 125 Ca 0.07 -0.04 0.04 0.00 2.81 0.00 0.00 57.97 60.85 1nf4 h PHE 125 Cb 0.06 -0.33 -0.04 0.00 3.61 0.00 0.00 35.95 39.26 1nf4 h PHE 125 CO -0.13 0.76 0.08 1.49 -1.61 0.00 0.00 178.31 178.90 1nf4 h GLU 126 N 1.02 0.20 -0.69 1.51 4.81 -0.65 0.74 114.58 121.52 1nf4 h GLU 126 Ca 0.25 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 1nf4 h GLU 126 Cb 0.10 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 1nf4 h GLU 126 CO -0.03 0.13 0.38 0.00 -0.73 0.00 0.00 179.01 178.76 1nf4 h ARG 127 N 0.21 0.96 -0.10 1.92 3.08 -0.87 -2.51 114.38 117.06 1nf4 h ARG 127 Ca 0.15 -0.11 -0.14 0.00 0.07 0.00 0.00 59.98 59.95 1nf4 h ARG 127 Cb 0.15 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1nf4 h ARG 127 CO -0.19 0.72 -0.54 0.82 -1.07 0.00 0.00 179.97 179.71 1nf4 h ILE 128 N 0.95 1.35 -0.48 2.04 2.04 -0.52 -2.48 117.51 120.41 1nf4 h ILE 128 Ca 0.24 -1.82 -0.02 0.00 1.00 0.00 0.00 64.86 64.26 1nf4 h ILE 128 Cb 0.04 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1nf4 h ILE 128 CO -0.04 0.54 0.21 0.40 0.00 0.00 0.00 178.15 179.26 1nf4 h ILE 129 N 0.23 1.17 -0.16 -0.67 2.04 -0.62 0.90 117.51 120.41 1nf4 h ILE 129 Ca 0.00 -0.51 -0.09 0.00 1.00 0.00 0.00 64.86 65.27 1nf4 h ILE 129 Cb 1.02 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1nf4 h ILE 129 CO 0.09 0.20 -0.28 -0.33 0.00 0.00 0.00 178.15 177.83 1nf4 h GLU 130 N 0.67 0.30 0.00 2.37 5.08 -1.02 -1.11 114.58 120.87 1nf4 h GLU 130 Ca 0.17 -0.11 -0.17 0.00 -1.00 0.00 0.00 59.36 58.25 1nf4 h GLU 130 Cb 0.11 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1nf4 h GLU 130 CO -0.02 0.56 -0.79 0.93 -1.00 0.00 0.00 179.01 178.69 1nf4 h GLU 131 N 0.26 0.00 -0.12 2.33 5.08 -1.02 -2.92 114.58 118.19 1nf4 h GLU 131 Ca 0.04 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 1nf4 h GLU 131 Cb 0.64 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1nf4 h GLU 131 CO 0.05 0.79 -0.52 0.93 -1.00 0.00 0.00 179.01 179.26 1nf4 h GLU 132 N 0.00 0.33 -0.90 2.33 4.39 -0.25 -2.43 114.58 118.05 1nf4 h GLU 132 Ca -0.01 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 1nf4 h GLU 132 Cb 1.40 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 30.02 1nf4 h GLU 132 CO 0.10 0.77 0.51 0.37 -1.16 0.00 0.00 179.01 179.60 1nf4 h GLN 133 N 0.26 1.24 -0.61 2.33 5.75 -1.15 0.11 115.11 123.04 1nf4 h GLN 133 Ca 0.01 -0.13 -0.03 0.00 -0.15 0.00 0.00 58.65 58.34 1nf4 h GLN 133 Cb 1.00 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 29.27 1nf4 h GLN 133 CO 0.09 0.89 0.25 0.00 -2.65 0.00 0.00 178.83 177.41 1nf4 h ALA 134 N 1.31 0.79 -0.27 3.38 0.00 -1.35 -1.20 119.26 121.92 1nf4 h ALA 134 Ca 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1nf4 h ALA 134 Cb 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1nf4 h ALA 134 CO -0.05 0.40 0.13 0.45 0.00 0.00 0.00 179.25 180.17 1nf4 h HIS 135 N 0.84 0.38 -0.19 0.00 3.86 -0.88 -1.68 115.15 117.49 1nf4 h HIS 135 Ca 0.20 -0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.44 1nf4 h HIS 135 Cb 0.19 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.50 1nf4 h HIS 135 CO 0.01 0.35 -0.08 1.25 0.86 0.00 0.00 177.93 180.32 1nf4 h LEU 136 N 0.30 -0.27 -0.98 2.43 5.85 -0.64 -1.33 115.31 120.68 1nf4 h LEU 136 Ca 0.09 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.90 1nf4 h LEU 136 Cb 0.11 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 1nf4 h LEU 136 CO -0.01 -0.10 0.65 0.74 -0.34 0.00 0.00 178.44 179.37 1nf4 h THR 137 N -0.05 1.24 0.10 1.05 2.02 -1.15 0.33 112.91 116.45 1nf4 h THR 137 Ca 0.10 -0.45 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 1nf4 h THR 137 Cb 0.20 -0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.42 1nf4 h THR 137 CO -0.22 0.24 -0.05 0.22 0.37 0.00 0.00 175.52 176.08 1nf4 h TYR 138 N 1.32 -0.12 -0.80 3.16 3.20 -0.56 -1.77 116.97 121.39 1nf4 h TYR 138 Ca 0.36 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.19 1nf4 h TYR 138 Cb -0.13 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 1nf4 h TYR 138 CO -0.00 -0.01 0.34 1.88 -1.64 0.00 0.00 178.16 178.73 1nf4 h TYR 139 N -0.21 1.19 -0.98 -3.82 0.99 -0.93 -1.77 116.97 111.44 1nf4 h TYR 139 Ca -0.01 -0.08 0.02 0.00 2.00 0.00 0.00 58.73 60.66 1nf4 h TYR 139 Cb 0.17 -0.36 -0.05 0.00 1.00 0.00 0.00 36.73 37.49 1nf4 h TYR 139 CO -0.05 0.89 0.65 0.93 -0.00 0.00 0.00 178.16 180.58 1nf4 h GLU 140 N 1.15 1.27 -0.11 4.88 5.08 -0.81 -1.01 114.58 125.02 1nf4 h GLU 140 Ca 0.27 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1nf4 h GLU 140 Cb 0.18 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1nf4 h GLU 140 CO -0.03 0.84 -0.01 -0.91 -1.00 0.00 0.00 179.01 177.90 1nf4 h ASN 141 N 1.30 0.20 -0.41 1.42 2.35 -0.70 -0.13 115.58 119.61 1nf4 h ASN 141 Ca 0.37 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1nf4 h ASN 141 Cb -0.10 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1nf4 h ASN 141 CO -0.09 0.48 0.26 0.40 -1.65 0.00 0.00 177.43 176.82 1nf4 h ILE 142 N -0.09 1.12 -0.48 2.81 1.08 -1.27 -2.36 117.51 118.32 1nf4 h ILE 142 Ca 0.03 -0.25 0.06 0.00 -0.39 0.00 0.00 64.86 64.32 1nf4 h ILE 142 Cb 0.38 0.55 -0.05 0.00 -3.07 0.00 0.00 36.82 34.62 1nf4 h ILE 142 CO 0.01 0.12 0.16 1.23 -0.69 0.00 0.00 178.15 178.98 1nf4 h GLY 143 N 0.55 0.63 0.93 5.37 0.00 -1.07 -0.83 103.07 108.64 1nf4 h GLY 143 Ca 0.15 -0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.41 1nf4 h GLY 143 CO -0.03 0.01 0.57 0.23 0.00 0.00 0.00 176.54 177.32 1nf4 h SER 144 N 0.34 0.97 0.63 0.19 0.87 -0.77 -0.38 113.55 115.40 1nf4 h SER 144 Ca 0.23 -0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.64 1nf4 h SER 144 Cb 0.24 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 1nf4 h SER 144 CO -0.24 0.68 -0.64 0.45 -0.53 0.00 0.00 176.83 176.55 1nf4 h HIS 145 N 1.14 0.01 -0.18 2.24 -0.00 -0.90 0.74 115.15 118.20 1nf4 h HIS 145 Ca 0.34 -0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 60.53 1nf4 h HIS 145 Cb -0.05 -0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.36 1nf4 h HIS 145 CO -0.02 0.65 -0.57 0.82 -0.00 0.00 0.00 177.93 178.81 1nf4 h ILE 146 N 0.00 1.31 0.29 2.45 2.04 -0.79 0.19 117.51 123.00 1nf4 h ILE 146 Ca -0.01 -1.80 -0.01 0.00 1.00 0.00 0.00 64.86 64.04 1nf4 h ILE 146 Cb 1.14 1.94 -0.00 0.00 -0.74 0.00 0.00 36.82 39.15 1nf4 h ILE 146 CO 0.08 0.56 -0.17 0.11 0.00 0.00 0.00 178.15 178.73 1nf4 h LYS 147 N 0.40 -0.43 0.00 2.37 1.57 -0.91 -2.71 116.57 116.86 1nf4 h LYS 147 Ca -0.02 0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1nf4 h LYS 147 Cb 1.19 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.58 1nf4 h LYS 147 CO 0.12 -0.28 -0.80 -0.91 -0.57 0.00 0.00 179.45 177.01 1nf4 h ASN 148 N -0.44 0.00 0.00 0.86 2.35 -0.90 -3.40 115.58 114.04 1nf4 h ASN 148 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1nf4 h ASN 148 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1nf4 h ASN 148 CO 0.03 0.70 -0.67 0.18 -1.65 0.00 0.00 177.43 176.02 1nf4 n LEU 149 N -3.23 0.00 0.00 1.61 4.77 0.65 -5.05 117.00 115.75 1nf4 n LEU 149 Ca -0.00 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1nf4 n LEU 149 Cb 0.83 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 1nf4 n LEU 149 CO 0.43 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1nf4 n GLY 150 N 1.78 1.12 0.17 -0.72 0.00 -1.02 -3.31 105.19 103.22 1nf4 n GLY 150 Ca 0.00 -0.23 0.10 0.00 0.00 0.00 0.00 46.02 45.89 1nf4 n GLY 150 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nf4 n ASP 151 N -1.54 0.02 0.10 1.61 9.92 -1.26 0.54 116.55 125.93 1nf4 n ASP 151 Ca 0.00 0.85 0.04 0.00 -0.53 0.00 0.00 54.79 55.14 1nf4 n ASP 151 Cb 0.00 -0.34 0.44 0.00 -0.64 0.00 0.00 41.12 40.58 1nf4 n ASP 151 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1nf4 h THR 152 N 0.00 1.12 0.11 -3.53 2.02 -1.97 1.17 112.91 111.83 1nf4 h THR 152 Ca 0.34 -0.46 -0.17 0.00 0.77 0.00 0.00 66.41 66.90 1nf4 h THR 152 Cb 0.79 0.94 0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1nf4 h THR 152 CO -0.45 0.16 -0.72 0.22 0.37 0.00 0.00 175.52 175.10 1nf4 h TYR 153 N 0.31 0.51 -0.29 3.16 3.20 -0.09 -3.17 116.97 120.60 1nf4 h TYR 153 Ca 0.07 -0.36 -0.11 0.00 3.14 0.00 0.00 58.73 61.47 1nf4 h TYR 153 Cb 0.17 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 1nf4 h TYR 153 CO 0.00 1.26 -0.29 -0.07 -1.64 0.00 0.00 178.16 177.43 1nf4 h LEU 154 N -0.38 0.61 -2.02 2.82 3.38 -0.69 -2.04 115.31 116.99 1nf4 h LEU 154 Ca -0.12 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 1nf4 h LEU 154 Cb 1.55 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 1nf4 h LEU 154 CO 0.14 0.87 -0.10 0.00 0.09 0.00 0.00 178.44 179.44 1nf4 h ALA 155 N 1.17 1.43 0.00 1.53 0.00 0.13 0.48 119.26 124.00 1nf4 h ALA 155 Ca 0.07 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1nf4 h ALA 155 Cb 0.76 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1nf4 h ALA 155 CO 0.06 0.12 -0.75 -0.22 0.00 0.00 0.00 179.25 178.46 1nf4 h LYS 156 N 0.00 0.00 0.00 0.00 3.64 -1.35 -3.21 116.57 115.65 1nf4 h LYS 156 Ca -0.00 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 1nf4 h LYS 156 Cb 0.24 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 1nf4 h LYS 156 CO 0.01 0.75 -1.05 0.82 -2.27 0.00 0.00 179.45 177.72 1nf4 h ILE 157 N 0.00 0.85 -1.94 2.00 1.08 -0.90 -3.45 117.51 115.15 1nf4 h ILE 157 Ca -0.01 -2.36 -0.64 0.00 -0.39 0.00 0.00 64.86 61.46 1nf4 h ILE 157 Cb 1.42 2.34 0.03 0.00 -3.07 0.00 0.00 36.82 37.53 1nf4 h ILE 157 CO 0.10 0.49 0.96 0.00 -0.69 0.00 0.00 178.15 179.00 1nf4 n ALA 158 N -2.34 0.59 -0.86 1.87 0.00 0.04 -2.30 120.51 117.51 1nf4 n ALA 158 Ca -0.05 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1nf4 n ALA 158 Cb 0.84 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.90 1nf4 n ALA 158 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nf4 n GLY 159 N 4.05 0.64 3.87 0.00 0.00 -0.94 -4.99 105.19 107.82 1nf4 n GLY 159 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1nf4 n GLY 159 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nf4 s THR 160 N -2.33 4.24 0.47 2.61 -4.23 -0.97 -4.95 115.64 110.48 1nf4 s THR 160 Ca 0.00 0.73 -0.24 0.00 -1.18 0.00 0.00 61.69 60.99 1nf4 s THR 160 Cb 0.00 -3.68 -0.08 0.00 1.34 0.00 0.00 72.50 70.08 1nf4 s THR 160 CO 0.00 -0.95 1.37 -2.65 -0.54 0.00 0.00 174.62 171.85 1nf4 n PRO 161 N -2.89 2.02 -0.08 3.99 -0.02 -1.26 -3.78 135.00 132.98 1nf4 n PRO 161 Ca 0.06 0.73 0.03 0.00 -2.02 0.00 0.00 63.50 62.30 1nf4 n PRO 161 Cb 0.55 -2.56 0.08 0.00 -0.02 0.00 0.00 33.50 31.55 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 -0.31 2.41 -4.74 2.55 3.41 -1.26 -2.99 113.62 112.68 1nf4 n SER 162 Ca 0.07 -1.95 -0.41 0.00 -0.26 0.00 0.00 58.87 56.32 1nf4 n SER 162 Cb 0.42 -0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.23 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 -0.96 6.65 -0.10 4.04 0.15 -1.26 -4.23 113.70 117.98 1nf4 s SER 163 Ca 0.12 2.67 0.17 0.00 0.70 0.00 0.00 55.95 59.60 1nf4 s SER 163 Cb 0.06 -2.62 0.63 0.00 -1.71 0.00 0.00 66.02 62.38 1nf4 s SER 163 CO 0.08 -0.70 1.54 0.35 1.20 0.00 0.00 173.24 175.71 1nf4 n THR 164 N 2.35 1.72 0.00 6.45 -2.24 -1.26 -4.94 114.28 116.36 1nf4 n THR 164 Ca 0.07 -1.25 0.00 0.00 -2.27 0.00 0.00 64.05 60.60 1nf4 n THR 164 Cb 0.40 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 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 0.84 0.26 3.82 3.38 0.00 -1.26 -5.03 105.19 107.20 1nf4 n GLY 165 Ca 0.23 -2.00 -0.33 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.29 4.44 0.41 2.61 -1.32 -1.26 -5.00 115.64 115.23 1nf4 s THR 166 Ca 0.00 1.40 -0.27 0.00 -1.21 0.00 0.00 61.69 61.62 1nf4 s THR 166 Cb 0.00 -3.63 -0.10 0.00 -1.51 0.00 0.00 72.50 67.26 1nf4 s THR 166 CO 0.00 -0.26 1.45 0.00 -2.21 0.00 0.00 174.62 173.60 1nf4 n ALA 167 N -0.49 2.13 -1.10 11.08 0.00 -1.26 -4.86 120.51 126.02 1nf4 n ALA 167 Ca 0.06 0.30 -0.49 0.00 0.00 0.00 0.00 53.44 53.30 1nf4 n ALA 167 Cb 0.54 -2.40 -0.09 0.00 0.00 0.00 0.00 19.45 17.50 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 0.16 0.69 -4.66 0.00 3.41 -1.26 -4.88 113.62 107.08 1nf4 n SER 168 Ca 0.03 0.64 -0.44 0.00 -0.26 0.00 0.00 58.87 58.85 1nf4 n SER 168 Cb 0.40 -0.71 -0.03 0.00 -0.26 0.00 0.00 64.21 63.60 1nf4 n SER 168 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1nf4 n LYS 169 N 5.26 2.66 -2.79 4.33 4.81 -1.26 -4.92 118.16 126.24 1nf4 n LYS 169 Ca 0.39 0.96 -0.09 0.00 -0.87 0.00 0.00 58.31 58.70 1nf4 n LYS 169 Cb -0.04 -2.94 -0.02 0.00 0.02 0.00 0.00 35.03 32.05 1nf4 n LYS 169 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nf4 n GLY 170 N 4.62 3.95 0.08 3.14 0.00 -1.26 -5.08 105.19 110.64 1nf4 n GLY 170 Ca 0.21 -2.17 -0.15 0.00 0.00 0.00 0.00 46.02 43.92 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 1.12 0.12 0.00 1.61 3.57 -2.05 -3.56 116.94 117.75 1nf4 h PHE 171 Ca -0.12 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.31 1nf4 h PHE 171 Cb 0.38 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1nf4 h PHE 171 CO 0.00 0.92 0.00 1.33 -2.23 0.00 0.00 178.31 178.33