#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 0.32 -0.24 1.20 2.47 -2.01 -1.32 114.38 114.80 1nf4 h ARG 5 Ca 0.00 -0.02 -0.06 0.00 -1.26 0.00 0.00 59.98 58.64 1nf4 h ARG 5 Cb 0.00 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.23 1nf4 h ARG 5 CO 0.00 0.21 -0.13 0.93 0.56 0.00 0.00 179.97 181.54 1nf4 h GLU 6 N 0.33 0.39 -0.11 0.04 3.07 -2.01 -2.34 114.58 113.96 1nf4 h GLU 6 Ca 0.15 -0.10 -0.22 0.00 -0.50 0.00 0.00 59.36 58.68 1nf4 h GLU 6 Cb 0.08 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1nf4 h GLU 6 CO -0.12 0.52 -0.79 0.22 -1.40 0.00 0.00 179.01 177.45 1nf4 h ASP 7 N 0.37 0.88 -0.38 1.42 3.58 -1.83 -2.34 116.42 118.12 1nf4 h ASP 7 Ca 0.07 -0.66 -0.02 0.00 0.42 0.00 0.00 57.03 56.85 1nf4 h ASP 7 Cb 0.45 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 1nf4 h ASP 7 CO 0.03 1.41 0.17 0.03 -2.88 0.00 0.00 179.24 178.00 1nf4 h ARG 8 N 0.43 0.55 -0.74 0.28 3.08 -1.13 -1.85 114.38 115.00 1nf4 h ARG 8 Ca -0.07 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1nf4 h ARG 8 Cb 1.43 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 31.35 1nf4 h ARG 8 CO 0.16 0.50 0.41 0.87 -1.07 0.00 0.00 179.97 180.85 1nf4 h LYS 9 N 0.47 1.03 -0.19 0.04 1.57 -1.46 -2.31 116.57 115.71 1nf4 h LYS 9 Ca 0.13 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1nf4 h LYS 9 Cb 0.14 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1nf4 h LYS 9 CO -0.01 0.76 -0.19 0.00 -0.57 0.00 0.00 179.45 179.43 1nf4 h ALA 10 N 1.21 1.31 -0.00 3.86 0.00 -1.24 0.38 119.26 124.78 1nf4 h ALA 10 Ca 0.26 -0.28 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 1nf4 h ALA 10 Cb 0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1nf4 h ALA 10 CO -0.04 0.46 -0.91 0.87 0.00 0.00 0.00 179.25 179.63 1nf4 h LYS 11 N 0.31 0.34 -0.10 0.00 1.79 -1.09 -2.10 116.57 115.72 1nf4 h LYS 11 Ca 0.05 -0.37 -0.20 0.00 -2.18 0.00 0.00 60.65 57.96 1nf4 h LYS 11 Cb 0.52 0.10 0.01 0.00 -1.58 0.00 0.00 32.23 31.29 1nf4 h LYS 11 CO 0.03 1.05 -0.73 0.28 -1.08 0.00 0.00 179.45 179.01 1nf4 h VAL 12 N 0.20 1.32 -0.20 0.50 2.07 -1.17 -2.90 116.25 116.07 1nf4 h VAL 12 Ca -0.07 -1.98 0.06 0.00 0.82 0.00 0.00 66.70 65.53 1nf4 h VAL 12 Cb 1.54 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 33.47 1nf4 h VAL 12 CO 0.15 0.61 0.16 0.40 0.02 0.00 0.00 177.57 178.91 1nf4 h ILE 13 N 0.33 0.78 -0.04 4.57 2.04 -0.24 0.28 117.51 125.23 1nf4 h ILE 13 Ca -0.06 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.59 1nf4 h ILE 13 Cb 1.37 0.89 0.01 0.00 -0.74 0.00 0.00 36.82 38.36 1nf4 h ILE 13 CO 0.15 0.00 -0.79 -0.08 0.00 0.00 0.00 178.15 177.43 1nf4 h GLU 14 N 0.00 0.61 0.00 2.37 4.81 -1.28 -2.45 114.58 118.65 1nf4 h GLU 14 Ca 0.09 -0.60 -0.16 0.00 -0.13 0.00 0.00 59.36 58.56 1nf4 h GLU 14 Cb 0.40 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 1nf4 h GLU 14 CO -0.00 1.21 -0.76 -0.39 -0.73 0.00 0.00 179.01 178.35 1nf4 h VAL 15 N 0.24 1.52 -0.79 0.32 -1.51 -1.18 -1.88 116.25 112.96 1nf4 h VAL 15 Ca -0.09 -2.62 -0.03 0.00 -1.23 0.00 0.00 66.70 62.74 1nf4 h VAL 15 Cb 1.46 2.42 -0.04 0.00 -2.13 0.00 0.00 31.29 33.00 1nf4 h VAL 15 CO 0.16 0.74 0.39 -0.07 -1.23 0.00 0.00 177.57 177.56 1nf4 h LEU 16 N 0.00 1.02 -0.35 4.19 3.38 -1.02 -1.25 115.31 121.29 1nf4 h LEU 16 Ca -0.01 -0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.66 1nf4 h LEU 16 Cb 1.36 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1nf4 h LEU 16 CO 0.10 0.86 -0.81 0.78 0.09 0.00 0.00 178.44 179.45 1nf4 h ASN 17 N 1.12 0.37 -0.66 -0.43 2.35 -1.32 0.11 115.58 117.11 1nf4 h ASN 17 Ca 0.27 -0.27 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 1nf4 h ASN 17 Cb 0.10 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 1nf4 h ASN 17 CO -0.04 1.03 0.26 0.11 -1.65 0.00 0.00 177.43 177.14 1nf4 h LYS 18 N 0.18 1.00 -0.63 0.81 1.57 -1.16 -0.99 116.57 117.36 1nf4 h LYS 18 Ca -0.04 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.46 1nf4 h LYS 18 Cb 1.41 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 1nf4 h LYS 18 CO 0.13 0.84 0.04 0.00 -0.57 0.00 0.00 179.45 179.89 1nf4 h ALA 19 N 1.11 0.89 -0.55 3.86 0.00 -1.08 -2.05 119.26 121.44 1nf4 h ALA 19 Ca 0.22 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1nf4 h ALA 19 Cb 0.22 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1nf4 h ALA 19 CO -0.02 0.67 -0.02 -0.09 0.00 0.00 0.00 179.25 179.79 1nf4 h ARG 20 N 0.99 0.96 -0.12 0.00 2.43 -0.59 -1.20 114.38 116.84 1nf4 h ARG 20 Ca 0.18 -0.30 -0.05 0.00 -0.81 0.00 0.00 59.98 59.01 1nf4 h ARG 20 Cb 0.51 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1nf4 h ARG 20 CO 0.02 0.96 -0.15 0.00 -1.51 0.00 0.00 179.97 179.30 1nf4 h ALA 21 N 1.09 1.53 -0.35 2.80 0.00 -0.92 0.26 119.26 123.66 1nf4 h ALA 21 Ca 0.16 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1nf4 h ALA 21 Cb 0.55 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1nf4 h ALA 21 CO 0.03 0.34 -0.35 0.52 0.00 0.00 0.00 179.25 179.79 1nf4 h MET 22 N 0.19 0.80 -0.26 0.00 2.86 -0.83 0.96 114.93 118.65 1nf4 h MET 22 Ca 0.04 -0.39 -0.03 0.00 -2.06 0.00 0.00 59.70 57.25 1nf4 h MET 22 Cb 0.38 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 1nf4 h MET 22 CO 0.02 1.02 0.04 0.93 1.06 0.00 0.00 176.91 179.98 1nf4 h GLU 23 N 0.67 0.43 -0.84 1.72 4.39 -0.40 -0.99 114.58 119.56 1nf4 h GLU 23 Ca 0.07 -0.12 0.08 0.00 0.34 0.00 0.00 59.36 59.73 1nf4 h GLU 23 Cb 0.90 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.44 1nf4 h GLU 23 CO 0.08 0.55 0.55 -0.07 -1.16 0.00 0.00 179.01 178.96 1nf4 h LEU 24 N 0.23 0.79 -0.24 1.33 3.38 -0.91 0.76 115.31 120.65 1nf4 h LEU 24 Ca 0.08 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1nf4 h LEU 24 Cb 0.34 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1nf4 h LEU 24 CO 0.01 0.49 0.01 -0.74 0.09 0.00 0.00 178.44 178.30 1nf4 h HIS 25 N 0.89 0.46 -0.84 1.13 2.76 -1.16 -2.73 115.15 115.66 1nf4 h HIS 25 Ca 0.37 -0.08 -0.04 0.00 -2.20 0.00 0.00 60.37 58.43 1nf4 h HIS 25 Cb 0.29 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.09 1nf4 h HIS 25 CO -0.00 0.58 0.38 0.00 -1.30 0.00 0.00 177.93 177.60 1nf4 h ALA 26 N 0.82 1.09 -0.25 5.26 0.00 -0.01 -0.03 119.26 126.14 1nf4 h ALA 26 Ca 0.07 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1nf4 h ALA 26 Cb 0.40 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1nf4 h ALA 26 CO 0.01 0.67 -0.07 0.82 0.00 0.00 0.00 179.25 180.68 1nf4 h ILE 27 N 1.21 0.74 -0.07 0.00 2.04 -0.85 0.23 117.51 120.79 1nf4 h ILE 27 Ca 0.29 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.99 1nf4 h ILE 27 Cb 0.15 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1nf4 h ILE 27 CO -0.03 0.00 -0.65 0.45 0.00 0.00 0.00 178.15 177.92 1nf4 h HIS 28 N -0.01 0.38 -0.04 1.37 3.86 -1.13 -1.59 115.15 117.99 1nf4 h HIS 28 Ca 0.12 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1nf4 h HIS 28 Cb 0.19 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.60 1nf4 h HIS 28 CO -0.26 0.85 -0.02 0.37 0.86 0.00 0.00 177.93 179.73 1nf4 h GLN 29 N 0.21 0.08 -0.41 2.45 5.75 -0.66 -1.82 115.11 120.71 1nf4 h GLN 29 Ca -0.01 -0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.33 1nf4 h GLN 29 Cb 1.18 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.71 1nf4 h GLN 29 CO 0.10 0.50 -0.21 1.88 -2.65 0.00 0.00 178.83 178.45 1nf4 h TYR 30 N -0.33 0.91 0.00 3.99 0.99 -0.58 -2.25 116.97 119.69 1nf4 h TYR 30 Ca 0.01 -0.20 -0.09 0.00 2.00 0.00 0.00 58.73 60.45 1nf4 h TYR 30 Cb 0.47 -0.22 -0.01 0.00 1.00 0.00 0.00 36.73 37.97 1nf4 h TYR 30 CO 0.08 0.94 -0.41 0.52 -0.00 0.00 0.00 178.16 179.28 1nf4 h MET 31 N 0.70 0.00 -0.55 4.88 2.86 -1.28 0.19 114.93 121.72 1nf4 h MET 31 Ca 0.10 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.65 1nf4 h MET 31 Cb 0.73 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 1nf4 h MET 31 CO 0.06 0.41 -0.02 -0.97 1.06 0.00 0.00 176.91 177.44 1nf4 h ASN 32 N 0.00 0.94 0.11 1.22 -1.24 -0.99 -1.16 115.58 114.47 1nf4 h ASN 32 Ca -0.00 -0.27 -0.16 0.00 0.71 0.00 0.00 56.30 56.58 1nf4 h ASN 32 Cb 0.74 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.53 1nf4 h ASN 32 CO 0.05 1.01 -0.58 1.56 -1.29 0.00 0.00 177.43 178.19 1nf4 h GLN 33 N 0.88 0.48 -0.81 6.67 4.20 -0.84 -2.93 115.11 122.76 1nf4 h GLN 33 Ca 0.16 -0.31 0.07 0.00 0.06 0.00 0.00 58.65 58.63 1nf4 h GLN 33 Cb 0.55 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.31 1nf4 h GLN 33 CO 0.03 0.92 0.48 1.25 -0.67 0.00 0.00 178.83 180.84 1nf4 h HIS 34 N 0.36 0.88 -0.79 2.96 2.76 -0.68 0.10 115.15 120.75 1nf4 h HIS 34 Ca 0.00 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.16 1nf4 h HIS 34 Cb 1.11 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 29.76 1nf4 h HIS 34 CO 0.04 0.41 0.33 1.88 -1.30 0.00 0.00 177.93 179.29 1nf4 h TYR 35 N 0.85 1.19 -0.17 5.26 0.99 -1.05 -0.23 116.97 123.81 1nf4 h TYR 35 Ca 0.37 -0.08 -0.07 0.00 2.00 0.00 0.00 58.73 60.95 1nf4 h TYR 35 Cb 0.24 -0.36 -0.00 0.00 1.00 0.00 0.00 36.73 37.61 1nf4 h TYR 35 CO -0.05 0.89 -0.15 0.77 -0.00 0.00 0.00 178.16 179.62 1nf4 h SER 36 N 1.14 0.43 -0.73 3.88 0.02 -1.33 -0.63 113.55 116.33 1nf4 h SER 36 Ca 0.26 -0.47 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 1nf4 h SER 36 Cb 0.20 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 1nf4 h SER 36 CO -0.02 0.81 0.41 -0.07 -1.14 0.00 0.00 176.83 176.81 1nf4 h LEU 37 N 0.06 0.92 0.16 5.07 3.38 -0.60 0.22 115.31 124.52 1nf4 h LEU 37 Ca 0.03 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1nf4 h LEU 37 Cb 0.68 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1nf4 h LEU 37 CO 0.04 0.74 -0.08 -0.78 0.09 0.00 0.00 178.44 178.46 1nf4 h ASP 38 N 1.04 -0.18 -1.00 -0.43 1.82 -1.03 -0.62 116.42 116.02 1nf4 h ASP 38 Ca 0.26 -0.10 0.10 0.00 -0.39 0.00 0.00 57.03 56.90 1nf4 h ASP 38 Cb 0.03 0.05 -0.08 0.00 0.68 0.00 0.00 39.33 40.00 1nf4 h ASP 38 CO -0.04 -0.01 0.64 -0.78 -1.61 0.00 0.00 179.24 177.44 1nf4 h ASP 39 N -0.34 0.97 0.81 2.28 3.58 -0.53 0.37 116.42 123.56 1nf4 h ASP 39 Ca -0.02 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1nf4 h ASP 39 Cb 0.27 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.15 1nf4 h ASP 39 CO 0.04 0.56 0.00 0.23 -2.88 0.00 0.00 179.24 177.18 1nf4 n MET 40 N -4.57 0.03 -3.13 0.28 2.81 0.72 -4.93 117.12 108.33 1nf4 n MET 40 Ca 0.18 0.08 -0.14 0.00 -1.81 0.00 0.00 57.70 56.01 1nf4 n MET 40 Cb 0.29 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.37 1nf4 n MET 40 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1nf4 n ASP 41 N -1.48 -2.66 -4.03 7.83 2.03 0.13 -4.92 116.55 113.45 1nf4 n ASP 41 Ca 0.06 -0.46 -0.39 0.00 0.52 0.00 0.00 54.79 54.53 1nf4 n ASP 41 Cb 0.28 -3.98 -0.03 0.00 -0.72 0.00 0.00 41.12 36.67 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 -3.56 3.73 -0.26 -0.67 0.53 -0.42 -1.88 117.16 114.63 1nf4 n TYR 42 Ca -0.18 -3.58 -0.09 0.00 -1.02 0.00 0.00 57.90 53.03 1nf4 n TYR 42 Cb 0.61 -1.22 -0.08 0.00 -1.03 0.00 0.00 39.34 37.63 1nf4 n TYR 42 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 1nf4 h GLY 43 N 5.68 -1.25 1.14 2.72 0.00 -1.68 0.60 103.07 110.28 1nf4 h GLY 43 Ca 0.18 0.84 -0.01 0.00 0.00 0.00 0.00 47.33 48.34 1nf4 h GLY 43 CO 1.05 -0.21 0.48 -2.09 0.00 0.00 0.00 176.54 175.76 1nf4 h GLU 44 N -0.10 1.13 -0.49 4.80 4.81 -1.76 0.42 114.58 123.39 1nf4 h GLU 44 Ca 0.10 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1nf4 h GLU 44 Cb 0.37 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1nf4 h GLU 44 CO -0.64 0.80 0.05 -0.07 -0.73 0.00 0.00 179.01 178.42 1nf4 h LEU 45 N 1.14 0.82 -0.27 1.64 3.38 -1.70 -1.73 115.31 118.58 1nf4 h LEU 45 Ca 0.29 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1nf4 h LEU 45 Cb -0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1nf4 h LEU 45 CO -0.05 0.89 0.09 0.00 0.09 0.00 0.00 178.44 179.46 1nf4 h ALA 46 N 0.95 0.35 0.04 1.53 0.00 0.38 -1.56 119.26 120.95 1nf4 h ALA 46 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1nf4 h ALA 46 Cb 0.45 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1nf4 h ALA 46 CO 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 179.25 179.19 1nf4 h ALA 47 N 0.93 -0.08 -0.29 0.00 0.00 -0.12 -2.19 119.26 117.51 1nf4 h ALA 47 Ca 0.09 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1nf4 h ALA 47 Cb 0.22 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1nf4 h ALA 47 CO -0.00 -0.55 -0.14 -0.91 0.00 0.00 0.00 179.25 177.64 1nf4 h ASN 48 N -0.10 0.49 -0.78 0.00 2.35 -1.30 -0.99 115.58 115.25 1nf4 h ASN 48 Ca 0.01 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.60 1nf4 h ASN 48 Cb 0.10 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.30 1nf4 h ASN 48 CO -0.02 0.66 0.39 -0.03 -1.65 0.00 0.00 177.43 176.78 1nf4 h MET 49 N 0.46 1.12 -0.55 0.81 4.05 -1.09 -0.89 114.93 118.84 1nf4 h MET 49 Ca 0.08 -0.16 -0.11 0.00 -0.28 0.00 0.00 59.70 59.23 1nf4 h MET 49 Cb 0.52 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 31.10 1nf4 h MET 49 CO 0.03 0.86 -0.10 -0.22 0.23 0.00 0.00 176.91 177.71 1nf4 h LYS 50 N 1.10 1.04 -0.40 0.39 3.64 -0.93 -1.58 116.57 119.84 1nf4 h LYS 50 Ca 0.27 -0.38 -0.06 0.00 -1.27 0.00 0.00 60.65 59.21 1nf4 h LYS 50 Cb 0.10 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1nf4 h LYS 50 CO -0.04 1.08 -0.00 -0.07 -2.27 0.00 0.00 179.45 178.15 1nf4 h LEU 51 N 0.93 0.60 -0.45 5.20 3.38 -0.86 -1.11 115.31 122.99 1nf4 h LEU 51 Ca 0.14 -0.13 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 1nf4 h LEU 51 Cb 0.68 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1nf4 h LEU 51 CO 0.05 0.67 -0.42 0.40 0.09 0.00 0.00 178.44 179.23 1nf4 h ILE 52 N 0.60 1.28 -0.82 1.22 2.04 -1.01 -2.02 117.51 118.80 1nf4 h ILE 52 Ca 0.12 -1.60 0.01 0.00 1.00 0.00 0.00 64.86 64.40 1nf4 h ILE 52 Cb 0.38 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 1nf4 h ILE 52 CO 0.01 0.52 0.54 0.00 0.00 0.00 0.00 178.15 179.23 1nf4 h ALA 53 N 0.85 1.43 -0.62 1.87 0.00 -0.75 -1.31 119.26 120.74 1nf4 h ALA 53 Ca 0.05 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1nf4 h ALA 53 Cb 0.99 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1nf4 h ALA 53 CO 0.10 0.52 0.10 0.82 0.00 0.00 0.00 179.25 180.79 1nf4 h ILE 54 N 1.09 1.25 -0.91 0.00 2.04 -0.94 0.11 117.51 120.15 1nf4 h ILE 54 Ca 0.31 -0.98 0.07 0.00 1.00 0.00 0.00 64.86 65.25 1nf4 h ILE 54 Cb -0.10 0.67 -0.07 0.00 -0.74 0.00 0.00 36.82 36.58 1nf4 h ILE 54 CO -0.07 0.37 0.57 0.44 0.00 0.00 0.00 178.15 179.46 1nf4 h ASP 55 N 0.95 0.89 -0.24 1.72 3.32 -0.73 -1.17 116.42 121.15 1nf4 h ASP 55 Ca 0.19 0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.13 1nf4 h ASP 55 Cb 0.41 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1nf4 h ASP 55 CO 0.01 0.56 -0.34 -0.33 -1.72 0.00 0.00 179.24 177.42 1nf4 h GLU 56 N 1.02 0.76 -0.73 3.56 4.39 -0.17 0.47 114.58 123.88 1nf4 h GLU 56 Ca 0.41 -0.37 0.09 0.00 0.34 0.00 0.00 59.36 59.83 1nf4 h GLU 56 Cb 0.22 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.79 1nf4 h GLU 56 CO -0.19 0.99 0.39 0.52 -1.16 0.00 0.00 179.01 179.56 1nf4 h MET 57 N 0.64 0.64 -0.57 2.33 2.86 -0.18 0.11 114.93 120.76 1nf4 h MET 57 Ca 0.07 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.56 1nf4 h MET 57 Cb 0.88 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 1nf4 h MET 57 CO 0.08 0.42 -0.06 -0.09 1.06 0.00 0.00 176.91 178.32 1nf4 h ARG 58 N 0.66 1.05 -0.20 1.72 2.43 -0.81 -1.31 114.38 117.92 1nf4 h ARG 58 Ca 0.35 -0.37 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1nf4 h ARG 58 Cb 0.34 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1nf4 h ARG 58 CO -0.25 1.06 0.11 0.45 -1.51 0.00 0.00 179.97 179.84 1nf4 h HIS 59 N 0.94 0.22 -0.92 2.20 3.86 -0.12 -1.10 115.15 120.22 1nf4 h HIS 59 Ca 0.15 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.40 1nf4 h HIS 59 Cb 0.63 -0.07 -0.05 0.00 1.06 0.00 0.00 27.41 28.98 1nf4 h HIS 59 CO 0.04 0.13 0.61 0.00 0.86 0.00 0.00 177.93 179.57 1nf4 h ALA 60 N 1.09 1.41 -0.58 2.45 0.00 -0.76 -1.03 119.26 121.84 1nf4 h ALA 60 Ca 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1nf4 h ALA 60 Cb -0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1nf4 h ALA 60 CO -0.04 0.51 0.24 1.49 0.00 0.00 0.00 179.25 181.45 1nf4 h GLU 61 N 1.17 0.86 -0.42 0.00 4.81 -0.85 -1.70 114.58 118.44 1nf4 h GLU 61 Ca 0.36 -0.15 -0.13 0.00 -0.13 0.00 0.00 59.36 59.31 1nf4 h GLU 61 Cb 0.00 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1nf4 h GLU 61 CO -0.11 0.74 -0.25 -0.91 -0.73 0.00 0.00 179.01 177.75 1nf4 h ASN 62 N 0.80 0.95 -0.51 1.04 4.21 -0.54 -1.18 115.58 120.35 1nf4 h ASN 62 Ca 0.20 -0.42 -0.01 0.00 1.21 0.00 0.00 56.30 57.28 1nf4 h ASN 62 Cb 0.19 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.10 1nf4 h ASN 62 CO -0.02 1.16 0.30 -0.26 -1.29 0.00 0.00 177.43 177.32 1nf4 h PHE 63 N 0.74 0.69 -0.82 1.19 0.05 -1.16 -2.04 116.94 115.60 1nf4 h PHE 63 Ca 0.09 -0.01 -0.04 0.00 3.82 0.00 0.00 57.97 61.83 1nf4 h PHE 63 Cb 0.83 -0.22 -0.04 0.00 2.00 0.00 0.00 35.95 38.52 1nf4 h PHE 63 CO 0.06 0.49 0.36 0.00 -0.18 0.00 0.00 178.31 179.04 1nf4 h ALA 64 N 1.14 1.10 -0.34 2.45 0.00 -1.08 -0.56 119.26 121.96 1nf4 h ALA 64 Ca 0.18 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1nf4 h ALA 64 Cb 0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1nf4 h ALA 64 CO -0.03 0.66 -0.26 0.93 0.00 0.00 0.00 179.25 180.55 1nf4 h GLU 65 N 1.17 0.69 -0.28 0.00 5.08 -0.98 -1.01 114.58 119.24 1nf4 h GLU 65 Ca 0.28 -0.28 -0.18 0.00 -1.00 0.00 0.00 59.36 58.17 1nf4 h GLU 65 Cb 0.16 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1nf4 h GLU 65 CO -0.03 0.88 -0.53 -0.09 -1.00 0.00 0.00 179.01 178.24 1nf4 h ARG 66 N 0.59 0.82 -0.43 2.33 9.65 -1.09 -1.38 114.38 124.87 1nf4 h ARG 66 Ca 0.08 -0.51 0.06 0.00 -1.10 0.00 0.00 59.98 58.50 1nf4 h ARG 66 Cb 0.75 0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 29.34 1nf4 h ARG 66 CO 0.06 1.14 0.15 0.82 2.80 0.00 0.00 179.97 184.94 1nf4 h ILE 67 N 0.64 0.86 -0.85 1.20 2.04 -0.90 -1.14 117.51 119.35 1nf4 h ILE 67 Ca 0.02 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1nf4 h ILE 67 Cb 1.12 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 1nf4 h ILE 67 CO 0.12 0.06 0.48 0.11 0.00 0.00 0.00 178.15 178.91 1nf4 h LYS 68 N 0.31 1.17 -0.55 2.37 1.79 -1.06 0.48 116.57 121.08 1nf4 h LYS 68 Ca 0.20 -0.13 0.07 0.00 -2.18 0.00 0.00 60.65 58.62 1nf4 h LYS 68 Cb 0.20 -0.24 -0.03 0.00 -1.58 0.00 0.00 32.23 30.58 1nf4 h LYS 68 CO -0.21 0.85 0.37 0.93 -1.08 0.00 0.00 179.45 180.30 1nf4 h GLU 69 N 1.18 0.46 -0.54 3.15 5.08 -0.25 -2.23 114.58 121.44 1nf4 h GLU 69 Ca 0.30 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1nf4 h GLU 69 Cb 0.01 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1nf4 h GLU 69 CO -0.05 0.31 0.00 1.28 -1.00 0.00 0.00 179.01 179.55 1nf4 n LEU 70 N -4.47 3.02 0.00 1.33 4.77 -0.53 -4.93 117.00 116.19 1nf4 n LEU 70 Ca 0.08 -1.49 0.00 0.00 -0.03 0.00 0.00 56.01 54.57 1nf4 n LEU 70 Cb 0.27 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1nf4 n LEU 70 CO 0.34 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 177.75 1nf4 n GLY 71 N 1.40 0.83 1.26 -0.72 0.00 -0.84 -4.88 105.19 102.25 1nf4 n GLY 71 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 1nf4 n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nf4 n GLY 72 N -2.04 0.45 3.16 -0.02 0.00 0.10 -4.96 105.19 101.88 1nf4 n GLY 72 Ca 0.00 -1.94 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 1nf4 n GLY 72 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nf4 s GLU 73 N -3.36 2.93 0.02 1.61 2.56 -1.26 -4.21 118.70 116.98 1nf4 s GLU 73 Ca 0.22 -0.82 -0.30 0.00 0.00 0.00 0.00 54.97 54.06 1nf4 s GLU 73 Cb -0.01 -2.35 -0.06 0.00 2.00 0.00 0.00 34.13 33.71 1nf4 s GLU 73 CO 0.15 0.01 1.51 -2.14 -0.56 0.00 0.00 175.26 174.23 1nf4 s PRO 74 N 0.76 4.24 0.84 4.30 0.02 -1.26 -4.98 135.00 138.91 1nf4 s PRO 74 Ca -0.09 2.11 -0.12 0.00 0.02 0.00 0.00 61.00 62.93 1nf4 s PRO 74 Cb -0.16 -3.62 0.10 0.00 0.02 0.00 0.00 34.50 30.84 1nf4 s PRO 74 CO -0.00 -0.66 1.16 -0.08 -0.33 0.00 0.00 177.00 177.09 1nf4 s THR 75 N 2.65 2.26 -0.02 0.99 -1.32 -1.26 -4.95 115.64 113.99 1nf4 s THR 75 Ca 0.68 0.10 0.02 0.00 -1.21 0.00 0.00 61.69 61.28 1nf4 s THR 75 Cb -0.34 -2.36 0.03 0.00 -1.51 0.00 0.00 72.50 68.32 1nf4 s THR 75 CO 0.29 -0.10 0.98 0.35 -2.21 0.00 0.00 174.62 173.93 1nf4 n THR 76 N -3.64 1.01 -3.77 5.08 -2.24 -1.26 -4.94 114.28 104.51 1nf4 n THR 76 Ca 0.12 -1.06 -0.37 0.00 -2.27 0.00 0.00 64.05 60.48 1nf4 n THR 76 Cb 0.51 0.45 -0.07 0.00 -2.10 0.00 0.00 70.33 69.13 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 -1.13 3.75 0.29 -0.78 -1.52 -1.26 -5.08 119.66 113.93 1nf4 s GLN 77 Ca 0.04 -0.08 -0.11 0.00 -1.95 0.00 0.00 55.36 53.26 1nf4 s GLN 77 Cb 0.03 -3.27 -0.07 0.00 -0.22 0.00 0.00 33.01 29.48 1nf4 s GLN 77 CO 0.00 0.60 0.65 -1.59 -0.25 0.00 0.00 175.29 174.70 1nf4 s LYS 78 N -0.55 3.85 -0.24 2.91 -2.85 -1.26 -4.27 119.74 117.33 1nf4 s LYS 78 Ca 0.14 0.41 -0.19 0.00 -1.00 0.00 0.00 55.97 55.33 1nf4 s LYS 78 Cb -0.12 -2.53 -0.03 0.00 -2.06 0.00 0.00 37.83 33.09 1nf4 s LYS 78 CO 0.03 0.20 0.56 -2.00 0.10 0.00 0.00 175.35 174.24 1nf4 s GLU 79 N -3.11 4.13 0.44 1.78 2.56 0.27 -4.91 118.70 119.86 1nf4 s GLU 79 Ca 0.50 0.44 0.00 0.00 0.00 0.00 0.00 54.97 55.91 1nf4 s GLU 79 Cb -0.11 -3.62 0.00 0.00 2.00 0.00 0.00 34.13 32.40 1nf4 s GLU 79 CO 0.22 -0.30 0.00 0.41 -0.56 0.00 0.00 175.26 175.03 1nf4 n GLY 80 N 4.13 -1.92 3.47 -1.50 0.00 -1.26 -4.70 105.19 103.43 1nf4 n GLY 80 Ca -0.03 -1.78 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.03 1.72 -0.07 1.61 1.02 -1.26 -5.06 119.74 117.67 1nf4 s LYS 81 Ca 0.00 -1.27 -0.27 0.00 0.02 0.00 0.00 55.97 54.45 1nf4 s LYS 81 Cb 0.00 -2.05 -0.03 0.00 -0.52 0.00 0.00 37.83 35.24 1nf4 s LYS 81 CO 0.00 0.46 0.87 0.08 -0.92 0.00 0.00 175.35 175.84 1nf4 s VAL 82 N -1.29 4.91 -0.26 3.17 1.01 -1.26 -5.03 120.40 121.65 1nf4 s VAL 82 Ca 0.19 1.79 -0.19 0.00 0.00 0.00 0.00 61.98 63.76 1nf4 s VAL 82 Cb -0.10 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 1nf4 s VAL 82 CO 0.10 0.13 0.59 -0.69 0.00 0.00 0.00 175.10 175.23 1nf4 s VAL 83 N 1.37 5.02 0.41 2.92 1.01 -1.26 -5.07 120.40 124.80 1nf4 s VAL 83 Ca 0.44 1.03 0.08 0.00 0.00 0.00 0.00 61.98 63.53 1nf4 s VAL 83 Cb -0.19 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1nf4 s VAL 83 CO 0.20 0.05 0.31 0.42 0.00 0.00 0.00 175.10 176.08 1nf4 s THR 84 N 2.43 2.59 -0.78 3.92 -4.23 -1.26 -4.60 115.64 113.70 1nf4 s THR 84 Ca 0.24 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 1nf4 s THR 84 Cb -0.16 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.68 1nf4 s THR 84 CO 0.09 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 1nf4 n GLY 85 N -1.43 0.89 3.74 3.99 0.00 -1.26 -4.99 105.19 106.13 1nf4 n GLY 85 Ca 0.02 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.30 4.34 0.74 1.61 -0.21 -1.26 -5.01 119.66 117.58 1nf4 s GLN 86 Ca 0.00 2.16 -0.12 0.00 0.02 0.00 0.00 55.36 57.42 1nf4 s GLN 86 Cb 0.00 -3.15 0.04 0.00 1.00 0.00 0.00 33.01 30.90 1nf4 s GLN 86 CO 0.00 -0.32 1.10 0.00 -2.12 0.00 0.00 175.29 173.96 1nf4 s ALA 87 N 0.01 2.28 0.19 6.09 0.00 -1.26 -4.68 121.76 124.40 1nf4 s ALA 87 Ca 0.57 0.39 -0.18 0.00 0.00 0.00 0.00 51.96 52.75 1nf4 s ALA 87 Cb -0.39 -3.30 0.16 0.00 0.00 0.00 0.00 23.12 19.59 1nf4 s ALA 87 CO 0.41 -1.66 1.60 0.28 0.00 0.00 0.00 175.76 176.39 1nf4 h VAL 88 N -0.76 0.25 -0.05 0.00 2.07 -2.00 0.17 116.25 115.93 1nf4 h VAL 88 Ca -0.45 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 1nf4 h VAL 88 Cb 1.24 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1nf4 h VAL 88 CO 0.52 0.00 -0.22 -0.65 0.02 0.00 0.00 177.57 177.24 1nf4 h PRO 89 N -0.11 0.08 -0.14 1.57 0.11 -1.99 -2.13 132.00 129.38 1nf4 h PRO 89 Ca 0.26 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 66.16 1nf4 h PRO 89 Cb 0.52 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.62 1nf4 h PRO 89 CO -0.66 0.30 -0.66 0.28 -0.21 0.00 0.00 178.00 177.05 1nf4 h VAL 90 N 0.08 1.33 -0.29 3.15 2.07 -1.37 -2.25 116.25 118.97 1nf4 h VAL 90 Ca 0.01 -1.96 0.06 0.00 0.82 0.00 0.00 66.70 65.64 1nf4 h VAL 90 Cb 0.43 1.93 -0.06 0.00 -1.52 0.00 0.00 31.29 32.07 1nf4 h VAL 90 CO 0.03 0.60 -0.09 0.40 0.02 0.00 0.00 177.57 178.54 1nf4 h ILE 91 N 0.40 0.68 0.02 4.57 2.04 -0.08 -1.56 117.51 123.57 1nf4 h ILE 91 Ca -0.02 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.64 1nf4 h ILE 91 Cb 1.23 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 1nf4 h ILE 91 CO 0.12 0.00 -0.98 1.88 0.00 0.00 0.00 178.15 179.18 1nf4 h TYR 92 N -0.02 0.09 -0.04 1.37 -1.99 -1.48 -1.61 116.97 113.29 1nf4 h TYR 92 Ca 0.14 -0.06 -0.01 0.00 2.00 0.00 0.00 58.73 60.80 1nf4 h TYR 92 Cb 0.24 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 38.96 1nf4 h TYR 92 CO -0.29 0.99 0.00 1.49 -0.00 0.00 0.00 178.16 180.36 1nf4 h GLU 93 N 0.02 0.07 -0.54 4.88 4.81 -1.37 -2.35 114.58 120.11 1nf4 h GLU 93 Ca -0.03 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 1nf4 h GLU 93 Cb 1.69 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.04 1nf4 h GLU 93 CO 0.13 0.33 0.03 0.77 -0.73 0.00 0.00 179.01 179.55 1nf4 h SER 94 N -0.19 0.86 -0.43 1.04 0.02 -1.30 -2.09 113.55 111.46 1nf4 h SER 94 Ca 0.01 -0.21 -0.07 0.00 -0.84 0.00 0.00 61.79 60.68 1nf4 h SER 94 Cb 0.29 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1nf4 h SER 94 CO 0.00 0.90 -0.01 0.44 -1.14 0.00 0.00 176.83 177.02 1nf4 h ASP 95 N 0.84 0.76 -0.38 3.07 3.32 -1.32 0.35 116.42 123.05 1nf4 h ASP 95 Ca 0.16 -0.31 0.01 0.00 0.02 0.00 0.00 57.03 56.91 1nf4 h ASP 95 Cb 0.45 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1nf4 h ASP 95 CO 0.02 0.89 0.25 0.00 -1.72 0.00 0.00 179.24 178.68 1nf4 h ALA 96 N 0.90 0.48 -0.67 3.45 0.00 -1.27 0.16 119.26 122.30 1nf4 h ALA 96 Ca 0.12 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1nf4 h ALA 96 Cb 0.51 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1nf4 h ALA 96 CO 0.02 -0.07 0.36 -0.44 0.00 0.00 0.00 179.25 179.13 1nf4 h ASP 97 N 0.51 0.51 -0.55 0.00 3.32 -1.19 -0.31 116.42 118.71 1nf4 h ASP 97 Ca 0.14 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 1nf4 h ASP 97 Cb -0.05 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1nf4 h ASP 97 CO -0.03 0.32 0.27 -0.61 -1.72 0.00 0.00 179.24 177.46 1nf4 h GLN 98 N 0.65 0.79 -0.56 3.56 4.15 0.66 -0.72 115.11 123.64 1nf4 h GLN 98 Ca 0.31 -0.12 -0.09 0.00 0.77 0.00 0.00 58.65 59.53 1nf4 h GLN 98 Cb 0.24 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 1nf4 h GLN 98 CO -0.21 0.65 0.00 0.93 -1.93 0.00 0.00 178.83 178.27 1nf4 h GLU 99 N 0.74 0.98 -0.46 1.69 4.39 -0.37 -0.79 114.58 120.77 1nf4 h GLU 99 Ca 0.19 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1nf4 h GLU 99 Cb 0.11 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1nf4 h GLU 99 CO -0.02 0.98 0.30 0.22 -1.16 0.00 0.00 179.01 179.33 1nf4 h ASP 100 N 0.87 0.53 0.38 1.42 1.82 -0.91 -1.07 116.42 119.46 1nf4 h ASP 100 Ca 0.16 -0.02 -0.06 0.00 -0.39 0.00 0.00 57.03 56.72 1nf4 h ASP 100 Cb 0.54 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.40 1nf4 h ASP 100 CO 0.03 0.39 -0.30 0.00 -1.61 0.00 0.00 179.24 177.75 1nf4 h ALA 101 N 1.16 1.39 -0.15 -0.78 0.00 -0.92 -2.13 119.26 117.83 1nf4 h ALA 101 Ca 0.17 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1nf4 h ALA 101 Cb -0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1nf4 h ALA 101 CO -0.04 0.37 -0.05 1.15 0.00 0.00 0.00 179.25 180.68 1nf4 h THR 102 N 0.00 1.30 -0.78 0.00 2.02 -0.59 -1.79 112.91 113.08 1nf4 h THR 102 Ca -0.00 -1.05 0.02 0.00 0.77 0.00 0.00 66.41 66.15 1nf4 h THR 102 Cb 0.57 1.69 -0.04 0.00 -1.74 0.00 0.00 68.15 68.62 1nf4 h THR 102 CO 0.04 0.31 0.50 0.40 0.37 0.00 0.00 175.52 177.13 1nf4 h ILE 103 N -0.02 1.14 0.11 3.11 2.04 -0.95 0.32 117.51 123.26 1nf4 h ILE 103 Ca 0.04 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.57 1nf4 h ILE 103 Cb 0.50 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1nf4 h ILE 103 CO 0.02 0.18 -0.15 -0.33 0.00 0.00 0.00 178.15 177.87 1nf4 h GLU 104 N 0.99 -0.30 -0.31 2.37 4.39 -1.33 -1.07 114.58 119.31 1nf4 h GLU 104 Ca 0.30 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.99 1nf4 h GLU 104 Cb -0.03 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1nf4 h GLU 104 CO -0.10 -0.20 0.06 0.00 -1.16 0.00 0.00 179.01 177.61 1nf4 h ALA 105 N 0.53 0.42 -0.54 3.43 0.00 -1.11 -3.04 119.26 118.95 1nf4 h ALA 105 Ca 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1nf4 h ALA 105 Cb 0.32 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1nf4 h ALA 105 CO -0.07 0.10 0.29 1.88 0.00 0.00 0.00 179.25 181.45 1nf4 h TYR 106 N 0.35 0.72 -0.23 0.00 -1.99 -0.81 -1.47 116.97 113.54 1nf4 h TYR 106 Ca 0.10 -0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.77 1nf4 h TYR 106 Cb 0.33 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 38.81 1nf4 h TYR 106 CO 0.02 0.51 -0.05 0.77 -0.00 0.00 0.00 178.16 179.41 1nf4 h SER 107 N 0.75 0.33 -0.09 3.88 0.02 -1.13 0.12 113.55 117.43 1nf4 h SER 107 Ca 0.19 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1nf4 h SER 107 Cb 0.03 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 1nf4 h SER 107 CO -0.03 0.44 -0.00 1.56 -1.14 0.00 0.00 176.83 177.65 1nf4 h GLN 108 N 0.34 0.17 -0.59 3.45 1.08 -1.21 -2.77 115.11 115.58 1nf4 h GLN 108 Ca 0.07 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1nf4 h GLN 108 Cb 0.32 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.71 1nf4 h GLN 108 CO 0.01 0.43 0.32 0.74 -0.95 0.00 0.00 178.83 179.39 1nf4 h PHE 109 N -0.11 0.79 -0.43 2.96 0.05 -0.66 -1.06 116.94 118.48 1nf4 h PHE 109 Ca 0.03 -0.01 0.02 0.00 3.82 0.00 0.00 57.97 61.83 1nf4 h PHE 109 Cb 0.36 -0.26 -0.03 0.00 2.00 0.00 0.00 35.95 38.02 1nf4 h PHE 109 CO 0.03 0.55 0.26 1.25 -0.18 0.00 0.00 178.31 180.23 1nf4 h LEU 110 N 0.82 0.42 -0.64 1.54 6.46 -0.75 -1.22 115.31 121.94 1nf4 h LEU 110 Ca 0.21 0.00 0.10 0.00 -0.12 0.00 0.00 57.88 58.07 1nf4 h LEU 110 Cb 0.02 -0.09 -0.07 0.00 -0.73 0.00 0.00 40.66 39.79 1nf4 h LEU 110 CO -0.03 0.30 0.27 0.50 -0.62 0.00 0.00 178.44 178.86 1nf4 h LYS 111 N 0.52 0.45 -0.81 1.25 3.64 -1.00 -0.12 116.57 120.51 1nf4 h LYS 111 Ca 0.17 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1nf4 h LYS 111 Cb 0.00 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 1nf4 h LYS 111 CO -0.07 0.30 0.40 0.28 -2.27 0.00 0.00 179.45 178.09 1nf4 h VAL 112 N 0.46 1.25 -0.51 2.00 2.07 -0.54 -0.63 116.25 120.35 1nf4 h VAL 112 Ca 0.32 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 1nf4 h VAL 112 Cb 0.39 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1nf4 h VAL 112 CO -0.30 0.29 0.11 0.00 0.02 0.00 0.00 177.57 177.69 1nf4 h LYS 114 N 0.71 0.50 -0.81 0.00 1.57 -0.74 0.17 116.57 117.97 1nf4 h LYS 114 Ca 0.16 -0.05 0.10 0.00 -1.87 0.00 0.00 60.65 58.98 1nf4 h LYS 114 Cb 0.35 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.51 1nf4 h LYS 114 CO 0.00 0.40 0.53 0.93 -0.57 0.00 0.00 179.45 180.74 1nf4 h GLU 115 N 0.47 0.72 -0.44 3.15 5.08 -0.84 0.29 114.58 123.01 1nf4 h GLU 115 Ca 0.13 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1nf4 h GLU 115 Cb 0.04 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1nf4 h GLU 115 CO -0.02 0.48 0.00 1.04 -1.00 0.00 0.00 179.01 179.51 1nf4 n GLN 116 N -4.51 2.06 -3.52 2.33 1.13 -0.40 -4.92 117.38 109.55 1nf4 n GLN 116 Ca 0.14 -1.48 -0.21 0.00 -1.94 0.00 0.00 57.00 53.50 1nf4 n GLN 116 Cb 0.33 -1.38 0.08 0.00 0.11 0.00 0.00 30.24 29.38 1nf4 n GLN 116 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nf4 n GLY 117 N 1.06 -0.46 2.98 1.08 0.00 0.09 -4.94 105.19 105.00 1nf4 n GLY 117 Ca 0.14 0.19 -0.31 0.00 0.00 0.00 0.00 46.02 46.03 1nf4 n GLY 117 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nf4 s ASP 118 N -3.62 4.83 0.14 1.61 -1.08 -0.01 -4.96 116.67 113.57 1nf4 s ASP 118 Ca 0.40 -3.30 -0.11 0.00 -0.52 0.00 0.00 52.55 49.02 1nf4 s ASP 118 Cb -0.18 -1.71 -0.04 0.00 -1.46 0.00 0.00 42.92 39.53 1nf4 s ASP 118 CO 0.71 -0.21 1.48 0.40 0.52 0.00 0.00 175.17 178.07 1nf4 h ILE 119 N 4.98 1.27 -0.52 4.11 1.08 -1.93 -1.93 117.51 124.58 1nf4 h ILE 119 Ca 0.02 -1.50 -0.01 0.00 -0.39 0.00 0.00 64.86 62.97 1nf4 h ILE 119 Cb 0.86 1.35 -0.02 0.00 -3.07 0.00 0.00 36.82 35.93 1nf4 h ILE 119 CO 0.72 0.50 0.27 0.58 -0.69 0.00 0.00 178.15 179.53 1nf4 h VAL 120 N 0.74 1.19 -0.28 1.67 2.07 -1.97 -1.24 116.25 118.42 1nf4 h VAL 120 Ca 0.07 -0.50 -0.15 0.00 0.82 0.00 0.00 66.70 66.94 1nf4 h VAL 120 Cb 0.92 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1nf4 h VAL 120 CO 0.09 0.20 -0.45 0.74 0.02 0.00 0.00 177.57 178.17 1nf4 h THR 121 N 0.69 1.29 -0.77 2.57 2.02 -1.95 -2.35 112.91 114.41 1nf4 h THR 121 Ca 0.18 -1.64 -0.01 0.00 0.77 0.00 0.00 66.41 65.71 1nf4 h THR 121 Cb 0.08 1.55 -0.04 0.00 -1.74 0.00 0.00 68.15 68.01 1nf4 h THR 121 CO -0.03 0.53 0.44 0.00 0.37 0.00 0.00 175.52 176.83 1nf4 h ALA 122 N 0.91 0.98 -0.86 6.16 0.00 -1.17 -1.63 119.26 123.67 1nf4 h ALA 122 Ca 0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1nf4 h ALA 122 Cb 1.00 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1nf4 h ALA 122 CO 0.10 0.48 0.52 -0.09 0.00 0.00 0.00 179.25 180.25 1nf4 h ARG 123 N 1.06 1.16 -0.25 0.00 9.65 -1.14 -1.17 114.38 123.69 1nf4 h ARG 123 Ca 0.27 -0.10 -0.01 0.00 -1.10 0.00 0.00 59.98 59.05 1nf4 h ARG 123 Cb -0.00 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 28.32 1nf4 h ARG 123 CO -0.05 0.80 0.13 1.25 2.80 0.00 0.00 179.97 184.91 1nf4 h LEU 124 N 1.18 0.32 -0.73 3.80 5.85 -0.88 -2.11 115.31 122.73 1nf4 h LEU 124 Ca 0.31 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 1nf4 h LEU 124 Cb -0.06 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1nf4 h LEU 124 CO -0.06 0.32 0.34 -0.26 -0.34 0.00 0.00 178.44 178.44 1nf4 h PHE 125 N 0.29 1.06 -0.77 1.25 -1.00 -0.97 -2.43 116.94 114.37 1nf4 h PHE 125 Ca 0.09 -0.06 -0.02 0.00 2.81 0.00 0.00 57.97 60.79 1nf4 h PHE 125 Cb 0.08 -0.33 -0.04 0.00 3.61 0.00 0.00 35.95 39.27 1nf4 h PHE 125 CO -0.03 0.79 0.40 1.49 -1.61 0.00 0.00 178.31 179.35 1nf4 h GLU 126 N 1.03 1.07 -0.13 1.51 4.81 -1.05 -0.41 114.58 121.41 1nf4 h GLU 126 Ca 0.25 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1nf4 h GLU 126 Cb 0.14 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1nf4 h GLU 126 CO -0.03 0.80 0.02 0.00 -0.73 0.00 0.00 179.01 179.07 1nf4 h ARG 127 N 1.07 0.22 -0.19 1.92 3.08 -1.16 -2.91 114.38 116.41 1nf4 h ARG 127 Ca 0.27 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.14 1nf4 h ARG 127 Cb 0.05 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1nf4 h ARG 127 CO -0.04 0.42 -0.37 0.82 -1.07 0.00 0.00 179.97 179.73 1nf4 h ILE 128 N -0.00 1.30 -0.61 2.04 2.04 -1.27 -2.60 117.51 118.40 1nf4 h ILE 128 Ca 0.04 -1.47 -0.02 0.00 1.00 0.00 0.00 64.86 64.40 1nf4 h ILE 128 Cb 0.30 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1nf4 h ILE 128 CO 0.00 0.45 0.28 0.40 0.00 0.00 0.00 178.15 179.28 1nf4 h ILE 129 N 0.34 1.20 -0.18 -0.67 2.04 -1.05 0.44 117.51 119.64 1nf4 h ILE 129 Ca 0.04 -0.59 -0.07 0.00 1.00 0.00 0.00 64.86 65.24 1nf4 h ILE 129 Cb 0.81 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1nf4 h ILE 129 CO 0.07 0.24 -0.18 -0.33 0.00 0.00 0.00 178.15 177.95 1nf4 h GLU 130 N 0.86 0.31 -0.21 2.37 5.08 -1.27 -0.63 114.58 121.08 1nf4 h GLU 130 Ca 0.21 -0.09 -0.20 0.00 -1.00 0.00 0.00 59.36 58.28 1nf4 h GLU 130 Cb 0.11 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1nf4 h GLU 130 CO -0.03 0.48 -0.66 0.93 -1.00 0.00 0.00 179.01 178.74 1nf4 h GLU 131 N 0.28 0.80 -0.15 2.33 5.08 -0.98 -2.67 114.58 119.28 1nf4 h GLU 131 Ca 0.05 -0.57 -0.01 0.00 -1.00 0.00 0.00 59.36 57.83 1nf4 h GLU 131 Cb 0.48 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1nf4 h GLU 131 CO 0.03 1.19 0.05 0.93 -1.00 0.00 0.00 179.01 180.22 1nf4 h GLU 132 N 0.58 0.21 -0.31 2.33 4.39 -0.64 -1.36 114.58 119.78 1nf4 h GLU 132 Ca -0.02 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 1nf4 h GLU 132 Cb 1.27 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 1nf4 h GLU 132 CO 0.14 0.18 -0.22 0.37 -1.16 0.00 0.00 179.01 178.32 1nf4 h GLN 133 N 0.21 0.59 -0.45 2.33 5.75 -0.84 -0.23 115.11 122.47 1nf4 h GLN 133 Ca 0.05 -0.22 -0.00 0.00 -0.15 0.00 0.00 58.65 58.33 1nf4 h GLN 133 Cb 0.06 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 1nf4 h GLN 133 CO -0.01 0.77 0.27 0.00 -2.65 0.00 0.00 178.83 177.21 1nf4 h ALA 134 N 1.24 0.57 -0.45 3.38 0.00 -0.99 -0.92 119.26 122.10 1nf4 h ALA 134 Ca 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1nf4 h ALA 134 Cb 0.66 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1nf4 h ALA 134 CO 0.05 0.07 0.24 0.45 0.00 0.00 0.00 179.25 180.06 1nf4 h HIS 135 N 0.60 0.62 -0.15 0.00 3.86 -0.88 -2.04 115.15 117.16 1nf4 h HIS 135 Ca 0.16 -0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.38 1nf4 h HIS 135 Cb 0.01 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.25 1nf4 h HIS 135 CO -0.03 0.48 -0.05 1.25 0.86 0.00 0.00 177.93 180.44 1nf4 h LEU 136 N 0.59 -0.18 -0.94 2.43 5.85 -0.83 -1.19 115.31 121.05 1nf4 h LEU 136 Ca 0.16 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.97 1nf4 h LEU 136 Cb 0.07 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 1nf4 h LEU 136 CO -0.02 -0.07 0.61 0.74 -0.34 0.00 0.00 178.44 179.35 1nf4 h THR 137 N -0.02 1.13 0.23 1.05 2.02 -1.03 -1.29 112.91 115.00 1nf4 h THR 137 Ca 0.08 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1nf4 h THR 137 Cb 0.14 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.43 1nf4 h THR 137 CO -0.17 0.21 -0.11 0.22 0.37 0.00 0.00 175.52 176.04 1nf4 h TYR 138 N 1.15 -0.28 -0.72 3.16 3.20 -0.60 -0.65 116.97 122.23 1nf4 h TYR 138 Ca 0.38 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.19 1nf4 h TYR 138 Cb 0.05 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 1nf4 h TYR 138 CO -0.01 -0.16 0.25 1.88 -1.64 0.00 0.00 178.16 178.47 1nf4 h TYR 139 N -0.32 1.13 -0.75 -3.82 0.99 -0.99 -1.02 116.97 112.18 1nf4 h TYR 139 Ca -0.03 -0.10 -0.04 0.00 2.00 0.00 0.00 58.73 60.56 1nf4 h TYR 139 Cb 0.25 -0.33 -0.03 0.00 1.00 0.00 0.00 36.73 37.61 1nf4 h TYR 139 CO -0.06 0.89 0.33 0.93 -0.00 0.00 0.00 178.16 180.25 1nf4 h GLU 140 N 1.07 1.10 -0.01 4.88 5.08 -1.13 0.40 114.58 125.97 1nf4 h GLU 140 Ca 0.24 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1nf4 h GLU 140 Cb 0.27 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1nf4 h GLU 140 CO -0.01 0.88 0.00 -0.91 -1.00 0.00 0.00 179.01 177.97 1nf4 h ASN 141 N 1.07 0.02 -0.79 1.42 2.35 -0.52 0.25 115.58 119.37 1nf4 h ASN 141 Ca 0.25 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1nf4 h ASN 141 Cb 0.17 -0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 1nf4 h ASN 141 CO -0.03 0.19 0.51 0.40 -1.65 0.00 0.00 177.43 176.86 1nf4 h ILE 142 N -0.16 1.21 -0.72 2.81 1.08 -1.12 -2.16 117.51 118.44 1nf4 h ILE 142 Ca 0.00 -0.40 -0.04 0.00 -0.39 0.00 0.00 64.86 64.04 1nf4 h ILE 142 Cb 0.18 0.05 -0.03 0.00 -3.07 0.00 0.00 36.82 33.95 1nf4 h ILE 142 CO -0.00 0.20 0.29 1.23 -0.69 0.00 0.00 178.15 179.18 1nf4 h GLY 143 N 1.08 1.15 1.34 5.37 0.00 -0.38 -1.98 103.07 109.66 1nf4 h GLY 143 Ca 0.29 -0.61 -0.13 0.00 0.00 0.00 0.00 47.33 46.87 1nf4 h GLY 143 CO -0.06 0.58 -0.34 0.23 0.00 0.00 0.00 176.54 176.95 1nf4 h SER 144 N 1.05 0.77 -0.35 0.19 0.87 -0.62 -2.23 113.55 113.22 1nf4 h SER 144 Ca 0.24 -0.33 -0.15 0.00 -1.23 0.00 0.00 61.79 60.33 1nf4 h SER 144 Cb 0.20 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1nf4 h SER 144 CO -0.02 1.04 -0.34 0.45 -0.53 0.00 0.00 176.83 177.43 1nf4 h HIS 145 N 0.62 1.06 -0.20 2.24 -0.00 -1.05 0.69 115.15 118.52 1nf4 h HIS 145 Ca 0.06 -0.30 -0.01 0.00 -0.00 0.00 0.00 60.37 60.13 1nf4 h HIS 145 Cb 0.87 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 28.04 1nf4 h HIS 145 CO 0.04 1.10 0.08 0.82 -0.00 0.00 0.00 177.93 179.97 1nf4 h ILE 146 N 0.74 1.16 -0.49 2.45 2.04 -1.35 0.45 117.51 122.51 1nf4 h ILE 146 Ca 0.07 -0.49 0.02 0.00 1.00 0.00 0.00 64.86 65.46 1nf4 h ILE 146 Cb 0.92 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 1nf4 h ILE 146 CO 0.08 0.16 0.29 0.50 0.00 0.00 0.00 178.15 179.18 1nf4 h LYS 147 N 0.16 0.56 0.00 2.37 3.64 -1.38 0.65 116.57 122.57 1nf4 h LYS 147 Ca 0.07 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 1nf4 h LYS 147 Cb 0.18 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1nf4 h LYS 147 CO -0.01 0.37 -0.97 -0.91 -2.27 0.00 0.00 179.45 175.67 1nf4 h ASN 148 N 0.58 0.00 0.00 4.20 2.35 -0.73 -3.40 115.58 118.59 1nf4 h ASN 148 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1nf4 h ASN 148 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1nf4 h ASN 148 CO -0.09 0.48 -0.08 0.18 -1.65 0.00 0.00 177.43 176.28 1nf4 n LEU 149 N -3.02 0.00 0.00 1.61 4.77 0.15 -5.06 117.00 115.46 1nf4 n LEU 149 Ca -0.04 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 1nf4 n LEU 149 Cb 0.76 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 1nf4 n LEU 149 CO 0.41 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1nf4 n GLY 150 N 0.72 2.90 0.26 -0.72 0.00 0.23 -1.69 105.19 106.89 1nf4 n GLY 150 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 -0.15 1.61 5.19 -1.93 -1.76 116.42 119.38 1nf4 h ASP 151 Ca 0.00 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 1nf4 h ASP 151 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 1nf4 h ASP 151 CO 0.00 0.12 -0.05 0.74 -3.12 0.00 0.00 179.24 176.93 1nf4 h THR 152 N 0.00 1.19 -0.01 0.35 2.02 -1.73 0.28 112.91 115.01 1nf4 h THR 152 Ca -0.00 -0.81 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 1nf4 h THR 152 Cb 0.34 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1nf4 h THR 152 CO 0.02 0.27 -0.09 0.22 0.37 0.00 0.00 175.52 176.30 1nf4 h TYR 153 N 0.42 0.10 -0.69 3.16 3.20 -1.31 -3.19 116.97 118.66 1nf4 h TYR 153 Ca 0.09 -0.05 0.13 0.00 3.14 0.00 0.00 58.73 62.04 1nf4 h TYR 153 Cb 0.36 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.57 1nf4 h TYR 153 CO 0.01 0.80 0.47 -0.07 -1.64 0.00 0.00 178.16 177.72 1nf4 h LEU 154 N -0.62 0.37 -1.50 2.82 3.38 -1.26 0.12 115.31 118.63 1nf4 h LEU 154 Ca -0.01 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1nf4 h LEU 154 Cb 0.82 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1nf4 h LEU 154 CO 0.02 0.21 -0.19 0.00 0.09 0.00 0.00 178.44 178.56 1nf4 h ALA 155 N 1.66 1.59 -0.22 1.53 0.00 -0.95 0.46 119.26 123.33 1nf4 h ALA 155 Ca 0.33 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 1nf4 h ALA 155 Cb 0.74 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1nf4 h ALA 155 CO -0.10 0.31 -0.41 -0.22 0.00 0.00 0.00 179.25 178.82 1nf4 h LYS 156 N 0.08 0.52 0.00 0.00 3.64 -0.75 -3.21 116.57 116.85 1nf4 h LYS 156 Ca 0.01 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1nf4 h LYS 156 Cb 0.39 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1nf4 h LYS 156 CO 0.03 0.85 -0.43 0.82 -2.27 0.00 0.00 179.45 178.44 1nf4 h ILE 157 N 0.43 0.00 -2.17 2.00 1.08 -0.95 -3.45 117.51 114.45 1nf4 h ILE 157 Ca 0.04 -0.98 -0.59 0.00 -0.39 0.00 0.00 64.86 62.93 1nf4 h ILE 157 Cb 0.91 1.77 0.04 0.00 -3.07 0.00 0.00 36.82 36.46 1nf4 h ILE 157 CO 0.08 0.00 0.97 0.00 -0.69 0.00 0.00 178.15 178.51 1nf4 n ALA 158 N -2.12 1.18 -1.08 1.87 0.00 0.03 -1.81 120.51 118.59 1nf4 n ALA 158 Ca 0.02 0.36 -0.03 0.00 0.00 0.00 0.00 53.44 53.79 1nf4 n ALA 158 Cb 0.54 -2.44 -0.01 0.00 0.00 0.00 0.00 19.45 17.53 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 3.95 0.58 3.81 0.00 0.00 -0.79 -4.98 105.19 107.77 1nf4 n GLY 159 Ca 0.20 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.96 3.16 0.44 2.61 -4.23 -0.75 -4.94 115.64 109.97 1nf4 s THR 160 Ca 0.00 0.38 -0.25 0.00 -1.18 0.00 0.00 61.69 60.63 1nf4 s THR 160 Cb 0.00 -3.13 -0.09 0.00 1.34 0.00 0.00 72.50 70.62 1nf4 s THR 160 CO 0.00 -0.49 1.35 -2.65 -0.54 0.00 0.00 174.62 172.28 1nf4 n PRO 161 N -3.39 2.06 0.00 3.99 -0.02 -1.26 -3.91 135.00 132.46 1nf4 n PRO 161 Ca 0.07 0.73 0.06 0.00 -2.02 0.00 0.00 63.50 62.34 1nf4 n PRO 161 Cb 0.56 -2.50 0.03 0.00 -0.02 0.00 0.00 33.50 31.57 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 -0.03 1.73 -4.77 2.55 3.41 -1.26 -3.12 113.62 112.12 1nf4 n SER 162 Ca 0.06 -1.36 -0.41 0.00 -0.26 0.00 0.00 58.87 56.90 1nf4 n SER 162 Cb 0.41 0.17 -0.01 0.00 -0.26 0.00 0.00 64.21 64.52 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 -1.15 6.51 -0.03 4.04 0.15 -1.26 -4.17 113.70 117.79 1nf4 s SER 163 Ca 0.12 2.88 0.15 0.00 0.70 0.00 0.00 55.95 59.80 1nf4 s SER 163 Cb 0.09 -2.65 0.46 0.00 -1.71 0.00 0.00 66.02 62.22 1nf4 s SER 163 CO 0.20 -0.76 1.39 0.35 1.20 0.00 0.00 173.24 175.61 1nf4 n THR 164 N 1.09 1.21 0.00 6.45 -2.24 -1.26 -4.91 114.28 114.61 1nf4 n THR 164 Ca 0.03 -1.10 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 1nf4 n THR 164 Cb 0.40 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 1nf4 n THR 164 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nf4 n GLY 165 N 0.79 -0.40 3.77 3.38 0.00 -1.26 -5.04 105.19 106.43 1nf4 n GLY 165 Ca 0.17 -2.23 -0.40 0.00 0.00 0.00 0.00 46.02 43.56 1nf4 n GLY 165 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nf4 n THR 166 N 0.00 2.41 -1.76 2.61 -2.24 -1.26 -4.92 114.28 109.11 1nf4 n THR 166 Ca 0.00 -0.50 -0.38 0.00 -2.27 0.00 0.00 64.05 60.90 1nf4 n THR 166 Cb 0.00 -1.92 0.06 0.00 -2.10 0.00 0.00 70.33 66.36 1nf4 n THR 166 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nf4 s ALA 167 N -1.16 2.58 -0.33 6.98 0.00 -1.26 -4.84 121.76 123.73 1nf4 s ALA 167 Ca 0.57 1.27 -0.29 0.00 0.00 0.00 0.00 51.96 53.51 1nf4 s ALA 167 Cb -0.46 -3.56 -0.13 0.00 0.00 0.00 0.00 23.12 18.97 1nf4 s ALA 167 CO 0.61 -1.49 1.41 -1.13 0.00 0.00 0.00 175.76 175.16 1nf4 n SER 168 N -1.51 0.50 -4.64 0.00 3.41 -1.26 -4.87 113.62 105.25 1nf4 n SER 168 Ca 0.13 0.46 -0.43 0.00 -0.26 0.00 0.00 58.87 58.77 1nf4 n SER 168 Cb 0.47 -0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 63.79 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 4.93 2.52 -1.33 4.33 4.81 -1.26 -4.91 118.16 127.25 1nf4 n LYS 169 Ca 0.36 0.88 0.00 0.00 -0.87 0.00 0.00 58.31 58.68 1nf4 n LYS 169 Cb -0.03 -3.00 0.00 0.00 0.02 0.00 0.00 35.03 32.03 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 4.87 5.03 0.13 3.14 0.00 -1.26 -5.08 105.19 112.02 1nf4 n GLY 170 Ca 0.23 -1.92 -0.21 0.00 0.00 0.00 0.00 46.02 44.12 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 0.66 0.60 0.00 1.61 3.57 -2.05 -3.56 116.94 117.76 1nf4 h PHE 171 Ca 0.00 -0.44 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1nf4 h PHE 171 Cb 0.00 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1nf4 h PHE 171 CO 0.00 1.45 0.00 0.28 -2.23 0.00 0.00 178.31 177.81