#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 -0.17 -0.19 -3.83 2.47 -2.00 -0.61 114.38 110.05 1nf4 h ARG 5 Ca 0.00 0.01 -0.08 0.00 -1.26 0.00 0.00 59.98 58.65 1nf4 h ARG 5 Cb 0.00 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 1nf4 h ARG 5 CO 0.00 -0.12 -0.25 0.93 0.56 0.00 0.00 179.97 181.10 1nf4 h GLU 6 N -0.18 0.35 -0.22 0.04 3.07 -2.01 -1.88 114.58 113.76 1nf4 h GLU 6 Ca 0.11 -0.12 -0.09 0.00 -0.50 0.00 0.00 59.36 58.76 1nf4 h GLU 6 Cb 0.35 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1nf4 h GLU 6 CO -0.29 0.58 -0.22 0.38 -1.40 0.00 0.00 179.01 178.06 1nf4 h ASP 7 N 0.32 0.58 -0.53 1.42 2.03 -1.83 -1.79 116.42 116.61 1nf4 h ASP 7 Ca 0.05 -0.48 0.06 0.00 -0.73 0.00 0.00 57.03 55.93 1nf4 h ASP 7 Cb 0.61 -0.16 -0.05 0.00 -0.83 0.00 0.00 39.33 38.90 1nf4 h ASP 7 CO 0.04 0.94 0.25 0.03 -1.03 0.00 0.00 179.24 179.47 1nf4 h ARG 8 N 0.23 0.46 -0.27 4.15 3.08 -0.92 0.50 114.38 121.61 1nf4 h ARG 8 Ca 0.03 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.07 1nf4 h ARG 8 Cb 0.78 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 1nf4 h ARG 8 CO 0.06 0.31 0.15 0.87 -1.07 0.00 0.00 179.97 180.28 1nf4 h LYS 9 N 0.48 0.30 -0.85 0.04 1.57 -1.30 -2.41 116.57 114.40 1nf4 h LYS 9 Ca 0.24 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1nf4 h LYS 9 Cb 0.19 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 1nf4 h LYS 9 CO -0.19 0.20 0.45 0.00 -0.57 0.00 0.00 179.45 179.34 1nf4 h ALA 10 N 1.12 1.19 -0.10 3.86 0.00 -0.49 0.42 119.26 125.26 1nf4 h ALA 10 Ca 0.11 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1nf4 h ALA 10 Cb 0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1nf4 h ALA 10 CO -0.06 0.64 -0.37 0.87 0.00 0.00 0.00 179.25 180.33 1nf4 h LYS 11 N 1.19 0.22 0.19 0.00 1.57 -0.77 -2.21 116.57 116.77 1nf4 h LYS 11 Ca 0.30 -0.09 -0.31 0.00 -1.87 0.00 0.00 60.65 58.67 1nf4 h LYS 11 Cb 0.05 -0.01 0.03 0.00 0.08 0.00 0.00 32.23 32.38 1nf4 h LYS 11 CO -0.05 0.56 -1.36 0.28 -0.57 0.00 0.00 179.45 178.32 1nf4 h VAL 12 N 0.19 1.34 -0.44 0.50 2.07 -0.82 -2.98 116.25 116.11 1nf4 h VAL 12 Ca 0.02 -2.72 0.04 0.00 0.82 0.00 0.00 66.70 64.85 1nf4 h VAL 12 Cb 0.75 2.93 -0.02 0.00 -1.52 0.00 0.00 31.29 33.42 1nf4 h VAL 12 CO 0.06 0.81 0.30 0.40 0.02 0.00 0.00 177.57 179.16 1nf4 h ILE 13 N 0.16 1.02 -0.46 4.57 2.04 -0.03 0.03 117.51 124.85 1nf4 h ILE 13 Ca -0.21 -0.16 -0.14 0.00 1.00 0.00 0.00 64.86 65.35 1nf4 h ILE 13 Cb 2.05 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 1nf4 h ILE 13 CO 0.25 0.08 -0.26 -0.08 0.00 0.00 0.00 178.15 178.15 1nf4 h GLU 14 N 0.46 0.98 -0.03 2.37 4.81 -1.38 0.09 114.58 121.87 1nf4 h GLU 14 Ca 0.18 -0.44 -0.16 0.00 -0.13 0.00 0.00 59.36 58.81 1nf4 h GLU 14 Cb 0.15 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1nf4 h GLU 14 CO -0.04 1.11 -0.71 -0.39 -0.73 0.00 0.00 179.01 178.25 1nf4 h VAL 15 N 0.84 1.44 -0.57 0.32 -1.51 -1.20 -2.60 116.25 112.97 1nf4 h VAL 15 Ca 0.10 -2.26 -0.08 0.00 -1.23 0.00 0.00 66.70 63.23 1nf4 h VAL 15 Cb 0.84 2.20 -0.02 0.00 -2.13 0.00 0.00 31.29 32.18 1nf4 h VAL 15 CO 0.07 0.66 0.04 -0.07 -1.23 0.00 0.00 177.57 177.04 1nf4 h LEU 16 N 0.12 0.96 -0.97 4.19 3.38 -0.84 -1.10 115.31 121.04 1nf4 h LEU 16 Ca -0.02 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.57 1nf4 h LEU 16 Cb 1.26 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1nf4 h LEU 16 CO 0.11 1.01 -0.44 0.78 0.09 0.00 0.00 178.44 179.99 1nf4 h ASN 17 N 0.88 0.00 -0.25 -0.43 2.35 -0.95 0.12 115.58 117.31 1nf4 h ASN 17 Ca 0.17 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.82 1nf4 h ASN 17 Cb 0.50 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 1nf4 h ASN 17 CO 0.02 0.44 -0.23 0.11 -1.65 0.00 0.00 177.43 176.11 1nf4 h LYS 18 N 0.00 0.59 -0.24 0.81 1.57 -1.25 -0.35 116.57 117.70 1nf4 h LYS 18 Ca -0.00 -0.31 0.01 0.00 -1.87 0.00 0.00 60.65 58.48 1nf4 h LYS 18 Cb 0.90 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 1nf4 h LYS 18 CO 0.06 0.90 0.13 0.00 -0.57 0.00 0.00 179.45 179.97 1nf4 h ALA 19 N 0.68 0.30 -0.88 3.86 0.00 -0.89 -1.92 119.26 120.40 1nf4 h ALA 19 Ca 0.04 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1nf4 h ALA 19 Cb 0.79 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1nf4 h ALA 19 CO 0.06 -0.26 0.57 -0.09 0.00 0.00 0.00 179.25 179.53 1nf4 h ARG 20 N 0.28 1.17 -0.07 0.00 2.43 -0.93 0.12 114.38 117.38 1nf4 h ARG 20 Ca 0.10 -0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 1nf4 h ARG 20 Cb 0.00 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.28 1nf4 h ARG 20 CO -0.05 0.79 -0.31 0.00 -1.51 0.00 0.00 179.97 178.89 1nf4 h ALA 21 N 1.43 1.36 -0.22 2.80 0.00 -0.78 0.08 119.26 123.93 1nf4 h ALA 21 Ca 0.32 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1nf4 h ALA 21 Cb -0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1nf4 h ALA 21 CO -0.07 0.46 -0.43 0.52 0.00 0.00 0.00 179.25 179.73 1nf4 h MET 22 N 0.11 0.54 -0.26 0.00 2.86 -0.28 0.20 114.93 118.10 1nf4 h MET 22 Ca 0.02 -0.28 -0.04 0.00 -2.06 0.00 0.00 59.70 57.33 1nf4 h MET 22 Cb 0.61 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 1nf4 h MET 22 CO 0.04 0.87 0.00 0.93 1.06 0.00 0.00 176.91 179.81 1nf4 h GLU 23 N 0.44 0.46 -0.85 1.72 4.39 -0.09 -1.95 114.58 118.70 1nf4 h GLU 23 Ca 0.03 -0.15 0.08 0.00 0.34 0.00 0.00 59.36 59.67 1nf4 h GLU 23 Cb 0.93 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.47 1nf4 h GLU 23 CO 0.08 0.62 0.51 -0.07 -1.16 0.00 0.00 179.01 179.00 1nf4 h LEU 24 N 0.24 0.77 -0.40 1.33 3.38 -0.99 0.82 115.31 120.45 1nf4 h LEU 24 Ca 0.07 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1nf4 h LEU 24 Cb 0.42 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1nf4 h LEU 24 CO 0.01 0.46 0.23 -0.74 0.09 0.00 0.00 178.44 178.49 1nf4 h HIS 25 N 0.89 0.54 -0.76 1.13 2.76 -1.31 -2.74 115.15 115.66 1nf4 h HIS 25 Ca 0.39 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.58 1nf4 h HIS 25 Cb 0.28 -0.18 -0.05 0.00 1.55 0.00 0.00 27.41 29.02 1nf4 h HIS 25 CO -0.04 0.41 0.49 0.00 -1.30 0.00 0.00 177.93 177.48 1nf4 h ALA 26 N 1.09 1.00 -0.37 5.26 0.00 -0.49 0.65 119.26 126.39 1nf4 h ALA 26 Ca 0.14 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1nf4 h ALA 26 Cb 0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1nf4 h ALA 26 CO -0.02 0.30 0.22 0.82 0.00 0.00 0.00 179.25 180.56 1nf4 h ILE 27 N 0.95 1.04 -0.11 0.00 2.04 -0.64 0.15 117.51 120.93 1nf4 h ILE 27 Ca 0.30 -0.15 -0.17 0.00 1.00 0.00 0.00 64.86 65.85 1nf4 h ILE 27 Cb 0.00 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1nf4 h ILE 27 CO -0.11 0.08 -0.64 0.45 0.00 0.00 0.00 178.15 177.94 1nf4 h HIS 28 N 0.44 0.53 -0.08 1.37 3.86 -1.18 -1.42 115.15 118.66 1nf4 h HIS 28 Ca 0.15 -0.21 -0.07 0.00 -1.16 0.00 0.00 60.37 59.08 1nf4 h HIS 28 Cb 0.01 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.39 1nf4 h HIS 28 CO -0.07 0.93 -0.20 0.37 0.86 0.00 0.00 177.93 179.81 1nf4 h GLN 29 N 0.30 0.28 -0.64 2.45 5.75 -0.52 -2.28 115.11 120.45 1nf4 h GLN 29 Ca -0.01 -0.19 -0.05 0.00 -0.15 0.00 0.00 58.65 58.24 1nf4 h GLN 29 Cb 1.18 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.73 1nf4 h GLN 29 CO 0.11 0.80 0.19 1.88 -2.65 0.00 0.00 178.83 179.16 1nf4 h TYR 30 N -0.19 1.05 -0.29 3.99 0.99 -0.74 -2.73 116.97 119.04 1nf4 h TYR 30 Ca -0.00 -0.11 -0.11 0.00 2.00 0.00 0.00 58.73 60.50 1nf4 h TYR 30 Cb 0.81 -0.30 -0.01 0.00 1.00 0.00 0.00 36.73 38.23 1nf4 h TYR 30 CO 0.12 0.86 -0.30 0.52 -0.00 0.00 0.00 178.16 179.36 1nf4 h MET 31 N 0.94 0.60 -0.42 4.88 2.86 -1.27 0.19 114.93 122.70 1nf4 h MET 31 Ca 0.21 -0.26 0.07 0.00 -2.06 0.00 0.00 59.70 57.66 1nf4 h MET 31 Cb 0.31 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.89 1nf4 h MET 31 CO -0.00 0.83 0.07 -0.97 1.06 0.00 0.00 176.91 177.89 1nf4 h ASN 32 N 0.51 -0.03 -0.49 1.22 -0.73 -1.28 -0.25 115.58 114.53 1nf4 h ASN 32 Ca 0.06 0.08 -0.10 0.00 1.87 0.00 0.00 56.30 58.22 1nf4 h ASN 32 Cb 0.77 0.12 -0.02 0.00 0.27 0.00 0.00 38.32 39.46 1nf4 h ASN 32 CO 0.06 0.02 -0.06 1.56 -0.37 0.00 0.00 177.43 178.64 1nf4 h GLN 33 N 0.19 0.94 -0.60 6.67 4.20 -1.12 -2.20 115.11 123.19 1nf4 h GLN 33 Ca 0.21 -0.31 0.07 0.00 0.06 0.00 0.00 58.65 58.68 1nf4 h GLN 33 Cb 0.27 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 27.91 1nf4 h GLN 33 CO -0.29 0.97 0.28 1.25 -0.67 0.00 0.00 178.83 180.36 1nf4 h HIS 34 N 0.85 0.50 -0.82 2.96 2.76 -0.03 0.21 115.15 121.58 1nf4 h HIS 34 Ca 0.15 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.31 1nf4 h HIS 34 Cb 0.58 -0.13 -0.04 0.00 1.55 0.00 0.00 27.41 29.37 1nf4 h HIS 34 CO 0.04 0.19 0.38 1.88 -1.30 0.00 0.00 177.93 179.13 1nf4 h TYR 35 N 0.51 1.19 -0.36 5.26 0.99 -0.61 0.24 116.97 124.19 1nf4 h TYR 35 Ca 0.29 -0.06 -0.07 0.00 2.00 0.00 0.00 58.73 60.88 1nf4 h TYR 35 Cb 0.27 -0.37 -0.01 0.00 1.00 0.00 0.00 36.73 37.62 1nf4 h TYR 35 CO -0.12 0.87 -0.06 0.77 -0.00 0.00 0.00 178.16 179.61 1nf4 h SER 36 N 1.18 0.68 -0.50 3.88 0.02 -0.89 -1.65 113.55 116.25 1nf4 h SER 36 Ca 0.28 -0.35 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 1nf4 h SER 36 Cb 0.13 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1nf4 h SER 36 CO -0.03 0.87 0.16 -0.07 -1.14 0.00 0.00 176.83 176.62 1nf4 h LEU 37 N 0.48 0.73 -0.20 5.07 3.38 -0.06 -0.23 115.31 124.48 1nf4 h LEU 37 Ca 0.10 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1nf4 h LEU 37 Cb 0.56 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1nf4 h LEU 37 CO 0.03 0.74 0.08 -0.78 0.09 0.00 0.00 178.44 178.60 1nf4 h ASP 38 N 0.68 0.11 -0.77 -0.43 1.82 -0.53 -0.73 116.42 116.58 1nf4 h ASP 38 Ca 0.16 0.02 0.12 0.00 -0.39 0.00 0.00 57.03 56.94 1nf4 h ASP 38 Cb 0.27 -0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.22 1nf4 h ASP 38 CO -0.01 0.09 0.50 -0.78 -1.61 0.00 0.00 179.24 177.44 1nf4 h ASP 39 N 0.18 0.53 1.08 2.28 3.58 -0.89 0.49 116.42 123.68 1nf4 h ASP 39 Ca 0.08 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1nf4 h ASP 39 Cb 0.04 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.00 1nf4 h ASP 39 CO -0.08 0.30 0.00 0.23 -2.88 0.00 0.00 179.24 176.81 1nf4 n MET 40 N -4.50 0.14 -3.11 0.28 2.81 -0.13 -4.90 117.12 107.70 1nf4 n MET 40 Ca 0.14 0.19 -0.14 0.00 -1.81 0.00 0.00 57.70 56.08 1nf4 n MET 40 Cb 0.42 -1.69 0.05 0.00 -0.71 0.00 0.00 33.22 31.29 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 -1.93 -3.87 -4.21 7.83 2.03 0.17 -4.93 116.55 111.64 1nf4 n ASP 41 Ca 0.05 -0.37 -0.41 0.00 0.52 0.00 0.00 54.79 54.59 1nf4 n ASP 41 Cb 0.34 -3.45 -0.03 0.00 -0.72 0.00 0.00 41.12 37.26 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 -3.74 4.66 -0.01 -0.67 0.53 -0.96 -1.94 117.16 115.03 1nf4 n TYR 42 Ca -0.06 -3.94 -0.13 0.00 -1.02 0.00 0.00 57.90 52.74 1nf4 n TYR 42 Cb 0.56 -1.43 -0.08 0.00 -1.03 0.00 0.00 39.34 37.37 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 6.25 -0.86 1.16 2.72 0.00 -1.66 -0.04 103.07 110.65 1nf4 h GLY 43 Ca 0.17 0.59 -0.01 0.00 0.00 0.00 0.00 47.33 48.08 1nf4 h GLY 43 CO 0.97 -0.21 0.44 -2.09 0.00 0.00 0.00 176.54 175.65 1nf4 h GLU 44 N -0.53 1.10 -0.62 4.80 4.81 -1.76 0.23 114.58 122.61 1nf4 h GLU 44 Ca 0.06 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 1nf4 h GLU 44 Cb 0.65 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1nf4 h GLU 44 CO -0.42 0.80 0.03 -0.07 -0.73 0.00 0.00 179.01 178.62 1nf4 h LEU 45 N 1.11 1.06 -0.50 1.64 3.38 -1.76 -2.24 115.31 118.01 1nf4 h LEU 45 Ca 0.28 -0.30 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 1nf4 h LEU 45 Cb 0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1nf4 h LEU 45 CO -0.05 1.09 -0.24 0.00 0.09 0.00 0.00 178.44 179.34 1nf4 h ALA 46 N 1.00 0.69 -0.02 1.53 0.00 0.22 -1.98 119.26 120.70 1nf4 h ALA 46 Ca 0.18 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1nf4 h ALA 46 Cb 0.54 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1nf4 h ALA 46 CO 0.03 0.67 0.01 0.00 0.00 0.00 0.00 179.25 179.96 1nf4 h ALA 47 N 0.88 0.03 -0.24 0.00 0.00 -0.55 -2.47 119.26 116.92 1nf4 h ALA 47 Ca 0.10 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1nf4 h ALA 47 Cb 0.81 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1nf4 h ALA 47 CO 0.07 -0.38 -0.10 -0.91 0.00 0.00 0.00 179.25 177.94 1nf4 h ASN 48 N -0.14 0.36 -0.59 0.00 2.35 -1.38 0.12 115.58 116.29 1nf4 h ASN 48 Ca 0.01 -0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.62 1nf4 h ASN 48 Cb 0.18 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1nf4 h ASN 48 CO -0.00 0.50 0.13 -0.03 -1.65 0.00 0.00 177.43 176.37 1nf4 h MET 49 N 0.36 0.96 -0.22 0.81 4.05 -1.28 -0.06 114.93 119.56 1nf4 h MET 49 Ca 0.07 -0.24 -0.18 0.00 -0.28 0.00 0.00 59.70 59.07 1nf4 h MET 49 Cb 0.40 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 31.07 1nf4 h MET 49 CO 0.02 0.90 -0.59 -0.22 0.23 0.00 0.00 176.91 177.25 1nf4 h LYS 50 N 0.87 0.70 -0.99 0.39 3.64 -0.96 -0.91 116.57 119.31 1nf4 h LYS 50 Ca 0.18 -0.47 0.01 0.00 -1.27 0.00 0.00 60.65 59.11 1nf4 h LYS 50 Cb 0.38 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.21 1nf4 h LYS 50 CO 0.01 1.09 0.66 -0.07 -2.27 0.00 0.00 179.45 178.86 1nf4 h LEU 51 N 0.53 1.13 -0.53 5.20 3.38 -0.57 -0.44 115.31 124.00 1nf4 h LEU 51 Ca 0.00 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1nf4 h LEU 51 Cb 1.17 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1nf4 h LEU 51 CO 0.12 0.81 -0.06 0.40 0.09 0.00 0.00 178.44 179.80 1nf4 h ILE 52 N 1.33 1.27 -0.67 1.22 2.04 -0.84 -2.08 117.51 119.78 1nf4 h ILE 52 Ca 0.37 -1.19 0.04 0.00 1.00 0.00 0.00 64.86 65.08 1nf4 h ILE 52 Cb -0.13 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 1nf4 h ILE 52 CO -0.09 0.42 0.44 0.00 0.00 0.00 0.00 178.15 178.93 1nf4 h ALA 53 N 0.93 1.64 -0.08 1.87 0.00 -0.62 -1.46 119.26 121.54 1nf4 h ALA 53 Ca 0.14 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1nf4 h ALA 53 Cb 0.61 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1nf4 h ALA 53 CO 0.04 0.28 -0.57 0.82 0.00 0.00 0.00 179.25 179.82 1nf4 h ILE 54 N 0.79 1.37 -0.86 0.00 2.04 -0.75 -0.30 117.51 119.80 1nf4 h ILE 54 Ca 0.27 -1.90 0.04 0.00 1.00 0.00 0.00 64.86 64.28 1nf4 h ILE 54 Cb 0.10 1.93 -0.05 0.00 -0.74 0.00 0.00 36.82 38.06 1nf4 h ILE 54 CO -0.08 0.56 0.55 0.44 0.00 0.00 0.00 178.15 179.62 1nf4 h ASP 55 N 0.20 0.89 0.12 1.72 3.32 -0.60 -1.63 116.42 120.45 1nf4 h ASP 55 Ca -0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 1nf4 h ASP 55 Cb 1.06 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 1nf4 h ASP 55 CO 0.09 0.60 -0.34 -0.33 -1.72 0.00 0.00 179.24 177.54 1nf4 h GLU 56 N 1.04 0.31 -0.79 3.56 4.39 -0.60 -0.82 114.58 121.67 1nf4 h GLU 56 Ca 0.35 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.90 1nf4 h GLU 56 Cb 0.05 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 1nf4 h GLU 56 CO -0.13 0.62 0.44 0.52 -1.16 0.00 0.00 179.01 179.29 1nf4 h MET 57 N 0.27 1.11 -0.50 2.33 2.86 -0.48 0.55 114.93 121.07 1nf4 h MET 57 Ca 0.03 -0.13 -0.10 0.00 -2.06 0.00 0.00 59.70 57.44 1nf4 h MET 57 Cb 0.73 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 1nf4 h MET 57 CO 0.06 0.82 -0.08 0.00 1.06 0.00 0.00 176.91 178.76 1nf4 h ARG 58 N 1.10 0.93 0.15 1.72 3.08 -0.77 -1.83 114.38 118.77 1nf4 h ARG 58 Ca 0.28 -0.34 0.01 0.00 0.07 0.00 0.00 59.98 60.00 1nf4 h ARG 58 Cb 0.03 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1nf4 h ARG 58 CO -0.04 1.00 -0.19 0.45 -1.07 0.00 0.00 179.97 180.11 1nf4 h HIS 59 N 0.79 -0.50 -0.84 3.04 3.86 -0.84 0.10 115.15 120.75 1nf4 h HIS 59 Ca 0.13 0.01 0.19 0.00 -1.16 0.00 0.00 60.37 59.53 1nf4 h HIS 59 Cb 0.63 0.20 -0.11 0.00 1.06 0.00 0.00 27.41 29.19 1nf4 h HIS 59 CO 0.05 -0.28 0.34 0.00 0.86 0.00 0.00 177.93 178.90 1nf4 h ALA 60 N 0.40 1.26 -0.21 2.45 0.00 -0.76 -1.05 119.26 121.35 1nf4 h ALA 60 Ca 0.01 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1nf4 h ALA 60 Cb 0.39 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1nf4 h ALA 60 CO -0.08 -0.29 -0.04 1.49 0.00 0.00 0.00 179.25 180.34 1nf4 h GLU 61 N 0.41 0.39 -0.74 0.00 4.81 -0.90 -0.56 114.58 117.99 1nf4 h GLU 61 Ca 0.50 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.54 1nf4 h GLU 61 Cb 0.87 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 1nf4 h GLU 61 CO -0.49 0.63 0.30 -0.91 -0.73 0.00 0.00 179.01 177.80 1nf4 h ASN 62 N 0.13 1.03 0.06 1.04 2.35 -0.41 0.19 115.58 119.97 1nf4 h ASN 62 Ca 0.05 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1nf4 h ASN 62 Cb 0.47 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1nf4 h ASN 62 CO 0.02 0.92 -0.03 -0.26 -1.65 0.00 0.00 177.43 176.43 1nf4 h PHE 63 N 1.07 -0.07 -0.55 1.19 0.05 -1.18 -1.45 116.94 116.00 1nf4 h PHE 63 Ca 0.25 -0.00 0.07 0.00 3.82 0.00 0.00 57.97 62.10 1nf4 h PHE 63 Cb 0.22 0.02 -0.06 0.00 2.00 0.00 0.00 35.95 38.13 1nf4 h PHE 63 CO 0.02 0.04 0.23 0.00 -0.18 0.00 0.00 178.31 178.42 1nf4 h ALA 64 N 0.76 0.70 -0.74 2.45 0.00 -0.72 0.45 119.26 122.17 1nf4 h ALA 64 Ca -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1nf4 h ALA 64 Cb 0.15 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1nf4 h ALA 64 CO 0.01 -0.15 0.40 0.93 0.00 0.00 0.00 179.25 180.44 1nf4 h GLU 65 N 0.44 1.02 -0.15 0.00 5.08 -0.47 -1.08 114.58 119.42 1nf4 h GLU 65 Ca 0.26 -0.12 -0.19 0.00 -1.00 0.00 0.00 59.36 58.31 1nf4 h GLU 65 Cb 0.26 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1nf4 h GLU 65 CO -0.23 0.76 -0.68 -0.09 -1.00 0.00 0.00 179.01 177.76 1nf4 h ARG 66 N 1.03 0.62 -0.36 2.33 9.65 -0.48 -1.97 114.38 125.20 1nf4 h ARG 66 Ca 0.26 -0.47 0.05 0.00 -1.10 0.00 0.00 59.98 58.72 1nf4 h ARG 66 Cb 0.04 0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 28.65 1nf4 h ARG 66 CO -0.04 1.09 0.09 0.82 2.80 0.00 0.00 179.97 184.73 1nf4 h ILE 67 N 0.44 0.84 -0.93 1.20 2.04 -0.58 -1.76 117.51 118.77 1nf4 h ILE 67 Ca -0.02 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.77 1nf4 h ILE 67 Cb 1.27 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 1nf4 h ILE 67 CO 0.13 0.04 0.60 0.11 0.00 0.00 0.00 178.15 179.03 1nf4 h LYS 68 N 0.22 1.24 0.00 2.37 1.79 -0.99 -0.18 116.57 121.02 1nf4 h LYS 68 Ca 0.17 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.54 1nf4 h LYS 68 Cb 0.18 -0.27 -0.00 0.00 -1.58 0.00 0.00 32.23 30.56 1nf4 h LYS 68 CO -0.21 0.83 -0.07 0.93 -1.08 0.00 0.00 179.45 179.85 1nf4 h GLU 69 N 1.27 0.00 -0.04 3.15 5.08 -0.70 -2.00 114.58 121.34 1nf4 h GLU 69 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1nf4 h GLU 69 Cb -0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1nf4 h GLU 69 CO -0.07 0.07 0.00 1.28 -1.00 0.00 0.00 179.01 179.29 1nf4 n LEU 70 N -3.53 2.22 0.00 1.33 4.77 -0.56 -4.94 117.00 116.30 1nf4 n LEU 70 Ca -0.02 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 1nf4 n LEU 70 Cb 0.19 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1nf4 n LEU 70 CO 0.28 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1nf4 n GLY 71 N 1.26 0.76 3.36 -0.72 0.00 -0.75 -4.90 105.19 104.20 1nf4 n GLY 71 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 1nf4 n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nf4 n GLY 72 N -2.22 1.13 3.24 -0.02 0.00 -0.19 -4.99 105.19 102.15 1nf4 n GLY 72 Ca 0.00 -2.09 -0.34 0.00 0.00 0.00 0.00 46.02 43.59 1nf4 n GLY 72 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nf4 s GLU 73 N -4.57 3.23 0.13 1.61 2.56 -1.26 -4.19 118.70 116.21 1nf4 s GLU 73 Ca 0.56 -0.71 -0.30 0.00 0.00 0.00 0.00 54.97 54.52 1nf4 s GLU 73 Cb -0.04 -2.81 -0.07 0.00 2.00 0.00 0.00 34.13 33.22 1nf4 s GLU 73 CO 0.36 -0.16 1.12 -2.14 -0.56 0.00 0.00 175.26 173.88 1nf4 s PRO 74 N 1.30 4.54 0.66 4.30 0.02 -1.26 -5.00 135.00 139.56 1nf4 s PRO 74 Ca 0.04 1.71 -0.14 0.00 0.02 0.00 0.00 61.00 62.63 1nf4 s PRO 74 Cb -0.14 -3.31 -0.00 0.00 0.02 0.00 0.00 34.50 31.07 1nf4 s PRO 74 CO -0.06 -0.03 1.08 -0.08 -0.33 0.00 0.00 177.00 177.58 1nf4 s THR 75 N 0.21 3.54 -0.74 0.99 -1.32 -1.26 -4.97 115.64 112.09 1nf4 s THR 75 Ca 0.52 0.66 0.07 0.00 -1.21 0.00 0.00 61.69 61.73 1nf4 s THR 75 Cb -0.29 -3.20 0.13 0.00 -1.51 0.00 0.00 72.50 67.62 1nf4 s THR 75 CO 0.33 -0.49 0.95 0.35 -2.21 0.00 0.00 174.62 173.54 1nf4 n THR 76 N -2.53 0.51 -4.18 5.08 -2.24 -1.26 -4.93 114.28 104.73 1nf4 n THR 76 Ca 0.09 -0.75 -0.34 0.00 -2.27 0.00 0.00 64.05 60.78 1nf4 n THR 76 Cb 0.53 0.82 -0.10 0.00 -2.10 0.00 0.00 70.33 69.47 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 -0.80 3.71 0.60 -0.78 1.11 -1.26 -5.09 119.66 117.15 1nf4 s GLN 77 Ca 0.12 -0.40 -0.12 0.00 0.01 0.00 0.00 55.36 54.97 1nf4 s GLN 77 Cb 0.07 -3.05 -0.05 0.00 -1.01 0.00 0.00 33.01 28.97 1nf4 s GLN 77 CO 0.09 0.35 1.02 -1.59 0.01 0.00 0.00 175.29 175.18 1nf4 s LYS 78 N 0.11 3.65 -0.26 2.91 -2.85 -1.26 -4.49 119.74 117.54 1nf4 s LYS 78 Ca 0.03 0.77 -0.22 0.00 -1.00 0.00 0.00 55.97 55.55 1nf4 s LYS 78 Cb -0.13 -2.09 -0.01 0.00 -2.06 0.00 0.00 37.83 33.54 1nf4 s LYS 78 CO 0.01 -0.52 0.72 -2.00 0.10 0.00 0.00 175.35 173.66 1nf4 s GLU 79 N -5.02 4.10 0.47 1.78 -6.30 0.66 -4.92 118.70 109.47 1nf4 s GLU 79 Ca 0.55 0.67 0.00 0.00 -2.50 0.00 0.00 54.97 53.69 1nf4 s GLU 79 Cb -0.11 -3.66 0.00 0.00 0.00 0.00 0.00 34.13 30.36 1nf4 s GLU 79 CO 0.51 -0.49 0.00 0.41 0.02 0.00 0.00 175.26 175.71 1nf4 n GLY 80 N 4.04 -2.09 3.37 -1.50 0.00 -1.26 -4.64 105.19 103.12 1nf4 n GLY 80 Ca 0.02 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.13 1.45 -0.09 1.61 -0.14 -1.26 -5.04 119.74 116.14 1nf4 s LYS 81 Ca 0.00 -1.28 -0.29 0.00 -1.36 0.00 0.00 55.97 53.05 1nf4 s LYS 81 Cb 0.00 -1.86 -0.02 0.00 -1.68 0.00 0.00 37.83 34.27 1nf4 s LYS 81 CO 0.00 0.45 0.95 0.08 -0.76 0.00 0.00 175.35 176.07 1nf4 s VAL 82 N -1.01 4.84 -0.26 3.17 1.01 -1.26 -5.02 120.40 121.87 1nf4 s VAL 82 Ca 0.13 1.95 -0.17 0.00 0.00 0.00 0.00 61.98 63.88 1nf4 s VAL 82 Cb -0.10 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 1nf4 s VAL 82 CO 0.05 0.06 0.50 -0.69 0.00 0.00 0.00 175.10 175.02 1nf4 s VAL 83 N 1.69 5.08 0.45 2.92 1.01 -1.26 -5.06 120.40 125.23 1nf4 s VAL 83 Ca 0.47 0.84 0.08 0.00 0.00 0.00 0.00 61.98 63.37 1nf4 s VAL 83 Cb -0.19 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.40 1nf4 s VAL 83 CO 0.20 0.09 0.55 0.42 0.00 0.00 0.00 175.10 176.36 1nf4 s THR 84 N 2.28 2.75 -1.12 3.92 -4.23 -1.26 -4.56 115.64 113.42 1nf4 s THR 84 Ca 0.20 -1.10 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 1nf4 s THR 84 Cb -0.16 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.83 1nf4 s THR 84 CO 0.09 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 1nf4 n GLY 85 N -1.83 1.14 3.76 3.99 0.00 -1.26 -4.95 105.19 106.04 1nf4 n GLY 85 Ca 0.08 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.73 4.38 0.73 1.61 -0.21 -1.26 -5.00 119.66 117.18 1nf4 s GLN 86 Ca 0.00 2.16 -0.11 0.00 0.02 0.00 0.00 55.36 57.43 1nf4 s GLN 86 Cb 0.00 -3.11 0.03 0.00 1.00 0.00 0.00 33.01 30.93 1nf4 s GLN 86 CO 0.00 -0.18 1.07 0.00 -2.12 0.00 0.00 175.29 174.06 1nf4 s ALA 87 N -0.83 2.52 0.13 6.09 0.00 -1.26 -4.76 121.76 123.65 1nf4 s ALA 87 Ca 0.51 0.16 -0.20 0.00 0.00 0.00 0.00 51.96 52.42 1nf4 s ALA 87 Cb -0.39 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 1nf4 s ALA 87 CO 0.48 -1.44 1.70 0.28 0.00 0.00 0.00 175.76 176.79 1nf4 h VAL 88 N -0.88 0.76 -0.85 0.00 2.07 -2.00 0.11 116.25 115.47 1nf4 h VAL 88 Ca -0.44 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.14 1nf4 h VAL 88 Cb 1.22 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.69 1nf4 h VAL 88 CO 0.55 0.00 0.55 -0.65 0.02 0.00 0.00 177.57 178.04 1nf4 h PRO 89 N -0.03 0.93 -0.48 1.57 0.11 -1.99 -1.91 132.00 130.20 1nf4 h PRO 89 Ca 0.10 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.08 1nf4 h PRO 89 Cb 0.18 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 1nf4 h PRO 89 CO -0.22 0.61 -0.00 0.28 -0.21 0.00 0.00 178.00 178.46 1nf4 h VAL 90 N 0.96 1.24 -0.12 3.15 2.07 -1.59 -1.89 116.25 120.06 1nf4 h VAL 90 Ca 0.36 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 1nf4 h VAL 90 Cb 0.19 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1nf4 h VAL 90 CO -0.13 0.36 0.07 0.40 0.02 0.00 0.00 177.57 178.29 1nf4 h ILE 91 N 0.74 1.08 0.00 4.57 2.04 -0.01 -1.34 117.51 124.60 1nf4 h ILE 91 Ca 0.14 -0.21 -0.16 0.00 1.00 0.00 0.00 64.86 65.63 1nf4 h ILE 91 Cb 0.46 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1nf4 h ILE 91 CO 0.02 0.07 -0.76 1.88 0.00 0.00 0.00 178.15 179.37 1nf4 h TYR 92 N 0.12 0.00 0.04 1.37 -1.99 -1.47 -2.17 116.97 112.87 1nf4 h TYR 92 Ca 0.04 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.77 1nf4 h TYR 92 Cb 0.06 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.79 1nf4 h TYR 92 CO -0.05 0.76 -0.02 1.49 -0.00 0.00 0.00 178.16 180.34 1nf4 h GLU 93 N 0.00 -0.06 0.00 4.88 4.81 -1.24 -2.44 114.58 120.52 1nf4 h GLU 93 Ca -0.01 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1nf4 h GLU 93 Cb 1.39 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 1nf4 h GLU 93 CO 0.10 0.36 -0.23 0.66 -0.73 0.00 0.00 179.01 179.17 1nf4 h SER 94 N -0.49 0.00 -0.13 1.04 4.64 -1.28 -2.32 113.55 115.01 1nf4 h SER 94 Ca -0.01 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.18 1nf4 h SER 94 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1nf4 h SER 94 CO 0.01 0.23 -0.43 0.44 -0.87 0.00 0.00 176.83 176.21 1nf4 h ASP 95 N 0.00 0.61 -0.90 4.97 5.19 -1.45 -1.19 116.42 123.66 1nf4 h ASP 95 Ca -0.00 -0.61 0.01 0.00 -0.62 0.00 0.00 57.03 55.81 1nf4 h ASP 95 Cb 0.94 -0.18 -0.04 0.00 0.18 0.00 0.00 39.33 40.23 1nf4 h ASP 95 CO 0.03 1.11 0.59 0.00 -3.12 0.00 0.00 179.24 177.85 1nf4 h ALA 96 N 0.52 1.14 -0.85 3.45 0.00 -1.32 -0.45 119.26 121.74 1nf4 h ALA 96 Ca -0.02 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1nf4 h ALA 96 Cb 1.06 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1nf4 h ALA 96 CO 0.09 0.54 0.56 -0.44 0.00 0.00 0.00 179.25 180.00 1nf4 h ASP 97 N 1.22 0.96 -0.41 0.00 3.32 -1.35 -0.77 116.42 119.38 1nf4 h ASP 97 Ca 0.33 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.28 1nf4 h ASP 97 Cb -0.14 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.16 1nf4 h ASP 97 CO -0.07 0.69 -0.03 -0.61 -1.72 0.00 0.00 179.24 177.50 1nf4 h GLN 98 N 1.13 0.75 -0.77 3.56 4.15 -0.63 -0.78 115.11 122.52 1nf4 h GLN 98 Ca 0.32 -0.25 -0.06 0.00 0.77 0.00 0.00 58.65 59.42 1nf4 h GLN 98 Cb -0.11 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.49 1nf4 h GLN 98 CO -0.08 0.85 0.26 0.93 -1.93 0.00 0.00 178.83 178.86 1nf4 h GLU 99 N 0.58 1.18 -0.13 1.69 4.39 -0.86 0.11 114.58 121.54 1nf4 h GLU 99 Ca 0.11 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 1nf4 h GLU 99 Cb 0.53 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1nf4 h GLU 99 CO 0.03 0.99 0.05 0.22 -1.16 0.00 0.00 179.01 179.13 1nf4 h ASP 100 N 1.14 0.19 -0.91 1.42 1.82 -0.96 -0.70 116.42 118.42 1nf4 h ASP 100 Ca 0.25 -0.19 0.03 0.00 -0.39 0.00 0.00 57.03 56.73 1nf4 h ASP 100 Cb 0.28 -0.05 -0.05 0.00 0.68 0.00 0.00 39.33 40.19 1nf4 h ASP 100 CO -0.01 0.32 0.59 0.00 -1.61 0.00 0.00 179.24 178.53 1nf4 h ALA 101 N 0.87 1.19 -0.72 -0.78 0.00 -0.93 -0.79 119.26 118.10 1nf4 h ALA 101 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1nf4 h ALA 101 Cb 0.20 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1nf4 h ALA 101 CO -0.00 0.47 0.39 1.15 0.00 0.00 0.00 179.25 181.26 1nf4 h THR 102 N 1.16 1.22 -0.53 0.00 2.02 -0.49 -0.28 112.91 116.01 1nf4 h THR 102 Ca 0.36 -0.55 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1nf4 h THR 102 Cb -0.02 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 66.63 1nf4 h THR 102 CO -0.11 0.24 0.23 0.40 0.37 0.00 0.00 175.52 176.65 1nf4 h ILE 103 N 0.99 1.21 -0.15 3.11 2.04 -0.62 0.20 117.51 124.29 1nf4 h ILE 103 Ca 0.25 -0.64 0.05 0.00 1.00 0.00 0.00 64.86 65.52 1nf4 h ILE 103 Cb 0.04 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 1nf4 h ILE 103 CO -0.04 0.25 -0.17 -0.33 0.00 0.00 0.00 178.15 177.86 1nf4 h GLU 104 N 0.72 -0.20 -0.37 2.37 4.39 -0.72 -1.30 114.58 119.47 1nf4 h GLU 104 Ca 0.18 0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.82 1nf4 h GLU 104 Cb 0.17 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1nf4 h GLU 104 CO -0.02 -0.13 -0.06 0.00 -1.16 0.00 0.00 179.01 177.64 1nf4 h ALA 105 N 0.85 0.50 -0.29 3.43 0.00 -0.86 -2.94 119.26 119.96 1nf4 h ALA 105 Ca 0.10 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1nf4 h ALA 105 Cb 0.36 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1nf4 h ALA 105 CO -0.27 0.33 -0.02 1.88 0.00 0.00 0.00 179.25 181.18 1nf4 h TYR 106 N 0.50 0.46 -0.31 0.00 -1.99 -0.43 -0.41 116.97 114.78 1nf4 h TYR 106 Ca 0.10 -0.04 -0.02 0.00 2.00 0.00 0.00 58.73 60.76 1nf4 h TYR 106 Cb 0.56 -0.13 -0.02 0.00 2.00 0.00 0.00 36.73 39.14 1nf4 h TYR 106 CO 0.05 0.47 0.09 0.77 -0.00 0.00 0.00 178.16 179.54 1nf4 h SER 107 N 0.43 0.40 0.04 3.88 0.02 -1.08 0.32 113.55 117.57 1nf4 h SER 107 Ca 0.09 -0.04 -0.23 0.00 -0.84 0.00 0.00 61.79 60.77 1nf4 h SER 107 Cb 0.31 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 62.76 1nf4 h SER 107 CO 0.01 0.40 -0.88 1.56 -1.14 0.00 0.00 176.83 176.79 1nf4 h GLN 108 N 0.44 0.65 -0.76 3.45 1.08 -0.99 -2.64 115.11 116.33 1nf4 h GLN 108 Ca 0.11 -0.60 -0.03 0.00 -1.45 0.00 0.00 58.65 56.68 1nf4 h GLN 108 Cb 0.15 0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.69 1nf4 h GLN 108 CO -0.01 1.21 0.35 0.74 -0.95 0.00 0.00 178.83 180.17 1nf4 h PHE 109 N 0.41 1.10 -0.29 2.96 0.05 -0.36 -1.63 116.94 119.18 1nf4 h PHE 109 Ca -0.08 -0.05 0.06 0.00 3.82 0.00 0.00 57.97 61.72 1nf4 h PHE 109 Cb 1.50 -0.34 -0.05 0.00 2.00 0.00 0.00 35.95 39.06 1nf4 h PHE 109 CO 0.08 0.81 -0.06 1.25 -0.18 0.00 0.00 178.31 180.21 1nf4 h LEU 110 N 1.09 -0.24 -0.31 1.54 6.46 -0.35 -1.97 115.31 121.52 1nf4 h LEU 110 Ca 0.26 0.08 0.07 0.00 -0.12 0.00 0.00 57.88 58.17 1nf4 h LEU 110 Cb 0.13 0.17 -0.08 0.00 -0.73 0.00 0.00 40.66 40.15 1nf4 h LEU 110 CO -0.03 -0.08 -0.36 0.50 -0.62 0.00 0.00 178.44 177.85 1nf4 h LYS 111 N 0.02 -0.31 -0.77 1.25 3.64 -1.03 -0.84 116.57 118.52 1nf4 h LYS 111 Ca 0.14 0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.69 1nf4 h LYS 111 Cb 0.21 0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 32.00 1nf4 h LYS 111 CO -0.29 -0.21 0.30 0.28 -2.27 0.00 0.00 179.45 177.26 1nf4 h VAL 112 N -0.33 0.61 -0.80 2.00 2.07 -0.90 -0.75 116.25 118.15 1nf4 h VAL 112 Ca 0.14 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1nf4 h VAL 112 Cb 0.56 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1nf4 h VAL 112 CO -0.49 0.08 0.53 0.00 0.02 0.00 0.00 177.57 177.71 1nf4 h LYS 114 N 1.08 0.62 -0.36 0.00 1.57 -0.56 0.84 116.57 119.75 1nf4 h LYS 114 Ca 0.30 -0.20 -0.16 0.00 -1.87 0.00 0.00 60.65 58.72 1nf4 h LYS 114 Cb -0.10 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 1nf4 h LYS 114 CO -0.07 0.73 -0.42 0.93 -0.57 0.00 0.00 179.45 180.06 1nf4 h GLU 115 N 0.57 0.92 -0.04 3.15 5.08 -0.48 -2.90 114.58 120.88 1nf4 h GLU 115 Ca 0.10 -0.51 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1nf4 h GLU 115 Cb 0.56 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1nf4 h GLU 115 CO 0.04 1.16 0.00 1.04 -1.00 0.00 0.00 179.01 180.25 1nf4 n GLN 116 N -4.06 1.12 -2.99 2.33 1.13 0.29 -4.88 117.38 110.33 1nf4 n GLN 116 Ca -0.03 -0.19 -0.20 0.00 -1.94 0.00 0.00 57.00 54.65 1nf4 n GLN 116 Cb 0.56 -1.16 0.04 0.00 0.11 0.00 0.00 30.24 29.79 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 0.70 -0.35 3.16 1.08 0.00 -0.70 -4.86 105.19 104.22 1nf4 n GLY 117 Ca 0.07 0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.82 5.93 0.11 1.61 -1.08 0.28 -4.92 116.67 115.79 1nf4 s ASP 118 Ca 0.30 -3.19 -0.15 0.00 -0.52 0.00 0.00 52.55 48.98 1nf4 s ASP 118 Cb -0.13 -1.97 -0.05 0.00 -1.46 0.00 0.00 42.92 39.32 1nf4 s ASP 118 CO 0.37 -0.33 1.51 0.40 0.52 0.00 0.00 175.17 177.64 1nf4 h ILE 119 N 4.63 1.28 -0.17 4.11 1.08 -1.93 -0.50 117.51 126.01 1nf4 h ILE 119 Ca 0.08 -1.15 -0.01 0.00 -0.39 0.00 0.00 64.86 63.39 1nf4 h ILE 119 Cb 0.91 1.30 -0.01 0.00 -3.07 0.00 0.00 36.82 35.96 1nf4 h ILE 119 CO 0.79 0.38 0.07 0.58 -0.69 0.00 0.00 178.15 179.27 1nf4 h VAL 120 N 0.47 1.16 -0.45 1.67 2.07 -1.97 0.32 116.25 119.53 1nf4 h VAL 120 Ca 0.09 -0.48 -0.08 0.00 0.82 0.00 0.00 66.70 67.05 1nf4 h VAL 120 Cb 0.59 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1nf4 h VAL 120 CO 0.04 0.15 -0.04 0.74 0.02 0.00 0.00 177.57 178.48 1nf4 h THR 121 N 0.11 1.24 -0.85 2.57 2.02 -1.95 -1.98 112.91 114.07 1nf4 h THR 121 Ca 0.06 -1.04 0.06 0.00 0.77 0.00 0.00 66.41 66.25 1nf4 h THR 121 Cb 0.18 0.94 -0.06 0.00 -1.74 0.00 0.00 68.15 67.47 1nf4 h THR 121 CO -0.00 0.36 0.53 0.00 0.37 0.00 0.00 175.52 176.78 1nf4 h ALA 122 N 1.25 1.17 -0.05 6.16 0.00 -0.75 -1.96 119.26 125.09 1nf4 h ALA 122 Ca 0.13 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 1nf4 h ALA 122 Cb 0.49 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1nf4 h ALA 122 CO 0.02 0.29 -0.54 0.07 0.00 0.00 0.00 179.25 179.09 1nf4 h ARG 123 N 0.98 0.15 -0.32 0.00 -0.00 -0.31 -1.97 114.38 112.90 1nf4 h ARG 123 Ca 0.37 -0.09 0.01 0.00 -0.00 0.00 0.00 59.98 60.26 1nf4 h ARG 123 Cb 0.15 0.01 -0.02 0.00 -0.00 0.00 0.00 29.97 30.11 1nf4 h ARG 123 CO -0.17 0.65 0.21 1.25 -0.00 0.00 0.00 179.97 181.91 1nf4 h LEU 124 N 0.12 0.35 -0.67 0.08 5.85 -0.85 -1.01 115.31 119.17 1nf4 h LEU 124 Ca -0.00 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1nf4 h LEU 124 Cb 0.99 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 1nf4 h LEU 124 CO 0.08 0.25 0.27 -0.26 -0.34 0.00 0.00 178.44 178.44 1nf4 h PHE 125 N 0.42 1.02 -0.28 1.25 -1.00 -1.16 -2.10 116.94 115.09 1nf4 h PHE 125 Ca 0.12 -0.08 0.04 0.00 2.81 0.00 0.00 57.97 60.86 1nf4 h PHE 125 Cb -0.03 -0.31 -0.04 0.00 3.61 0.00 0.00 35.95 39.18 1nf4 h PHE 125 CO -0.06 0.80 0.05 1.49 -1.61 0.00 0.00 178.31 178.98 1nf4 h GLU 126 N 0.95 0.15 0.08 1.51 4.81 -1.11 0.29 114.58 121.26 1nf4 h GLU 126 Ca 0.22 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1nf4 h GLU 126 Cb 0.21 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1nf4 h GLU 126 CO -0.02 0.10 -0.04 0.00 -0.73 0.00 0.00 179.01 178.32 1nf4 h ARG 127 N 0.16 -0.10 -0.79 1.92 3.08 -1.04 -2.29 114.38 115.32 1nf4 h ARG 127 Ca 0.13 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1nf4 h ARG 127 Cb 0.14 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 1nf4 h ARG 127 CO -0.18 -0.04 0.36 0.82 -1.07 0.00 0.00 179.97 179.86 1nf4 h ILE 128 N -0.14 1.25 -0.85 2.04 2.04 -1.21 -1.10 117.51 119.55 1nf4 h ILE 128 Ca -0.01 -0.73 0.11 0.00 1.00 0.00 0.00 64.86 65.22 1nf4 h ILE 128 Cb 0.11 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 36.41 1nf4 h ILE 128 CO 0.02 0.31 0.55 0.40 0.00 0.00 0.00 178.15 179.43 1nf4 h ILE 129 N 1.12 0.93 -0.67 -0.67 2.04 -0.28 -0.04 117.51 119.95 1nf4 h ILE 129 Ca 0.27 -0.27 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 1nf4 h ILE 129 Cb 0.15 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.29 1nf4 h ILE 129 CO -0.03 0.14 0.16 -0.33 0.00 0.00 0.00 178.15 178.09 1nf4 h GLU 130 N 0.77 1.05 -0.45 2.37 5.08 -0.62 -2.14 114.58 120.64 1nf4 h GLU 130 Ca 0.40 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 1nf4 h GLU 130 Cb 0.49 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1nf4 h GLU 130 CO -0.17 0.93 -0.12 0.93 -1.00 0.00 0.00 179.01 179.59 1nf4 h GLU 131 N 1.00 0.82 -0.65 2.33 5.08 -0.80 -2.60 114.58 119.76 1nf4 h GLU 131 Ca 0.21 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1nf4 h GLU 131 Cb 0.35 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1nf4 h GLU 131 CO 0.00 0.90 0.37 0.93 -1.00 0.00 0.00 179.01 180.21 1nf4 h GLU 132 N 0.74 0.89 -0.68 2.33 4.39 -0.86 -2.17 114.58 119.22 1nf4 h GLU 132 Ca 0.12 -0.09 0.01 0.00 0.34 0.00 0.00 59.36 59.75 1nf4 h GLU 132 Cb 0.61 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 1nf4 h GLU 132 CO 0.04 0.64 0.44 0.37 -1.16 0.00 0.00 179.01 179.35 1nf4 h GLN 133 N 0.90 0.88 -0.67 2.33 5.75 -1.01 0.13 115.11 123.42 1nf4 h GLN 133 Ca 0.23 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.67 1nf4 h GLN 133 Cb 0.00 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.32 1nf4 h GLN 133 CO -0.04 0.58 0.39 0.00 -2.65 0.00 0.00 178.83 177.11 1nf4 h ALA 134 N 1.25 0.85 -0.39 3.38 0.00 -1.25 -1.01 119.26 122.08 1nf4 h ALA 134 Ca 0.25 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1nf4 h ALA 134 Cb -0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 1nf4 h ALA 134 CO -0.06 0.34 0.21 0.45 0.00 0.00 0.00 179.25 180.19 1nf4 h HIS 135 N 0.91 0.39 0.04 0.00 3.86 -0.94 -0.85 115.15 118.56 1nf4 h HIS 135 Ca 0.24 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.48 1nf4 h HIS 135 Cb 0.00 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 1nf4 h HIS 135 CO -0.01 0.21 -0.13 1.25 0.86 0.00 0.00 177.93 180.10 1nf4 h LEU 136 N 0.42 -0.38 -0.90 2.43 5.85 -0.32 -0.42 115.31 121.99 1nf4 h LEU 136 Ca 0.16 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.96 1nf4 h LEU 136 Cb 0.05 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 1nf4 h LEU 136 CO -0.10 -0.19 0.59 0.74 -0.34 0.00 0.00 178.44 179.13 1nf4 h THR 137 N -0.25 1.19 -0.47 1.05 2.02 -1.11 0.03 112.91 115.36 1nf4 h THR 137 Ca 0.03 -0.40 0.02 0.00 0.77 0.00 0.00 66.41 66.83 1nf4 h THR 137 Cb 0.28 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.58 1nf4 h THR 137 CO -0.10 0.21 0.29 0.22 0.37 0.00 0.00 175.52 176.51 1nf4 h TYR 138 N 1.17 0.54 -0.03 3.16 3.20 -0.54 -2.34 116.97 122.12 1nf4 h TYR 138 Ca 0.35 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 62.05 1nf4 h TYR 138 Cb -0.06 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 1nf4 h TYR 138 CO -0.01 0.31 -0.77 1.88 -1.64 0.00 0.00 178.16 177.93 1nf4 h TYR 139 N 0.58 0.36 -0.67 -3.82 0.99 -0.42 -2.33 116.97 111.66 1nf4 h TYR 139 Ca 0.19 -0.17 -0.07 0.00 2.00 0.00 0.00 58.73 60.68 1nf4 h TYR 139 Cb 0.00 -0.05 -0.03 0.00 1.00 0.00 0.00 36.73 37.66 1nf4 h TYR 139 CO -0.06 0.93 0.16 0.93 -0.00 0.00 0.00 178.16 180.11 1nf4 h GLU 140 N 0.17 1.06 -0.19 4.88 5.08 -0.91 -1.89 114.58 122.78 1nf4 h GLU 140 Ca -0.03 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.02 1nf4 h GLU 140 Cb 1.35 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1nf4 h GLU 140 CO 0.12 0.94 -0.13 -0.91 -1.00 0.00 0.00 179.01 178.03 1nf4 h ASN 141 N 1.01 0.44 -0.74 1.42 2.35 -1.29 -0.30 115.58 118.46 1nf4 h ASN 141 Ca 0.21 -0.44 -0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1nf4 h ASN 141 Cb 0.36 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 1nf4 h ASN 141 CO 0.00 0.79 0.45 0.40 -1.65 0.00 0.00 177.43 177.42 1nf4 h ILE 142 N 0.10 1.21 -0.36 2.81 1.08 -1.37 -1.48 117.51 119.50 1nf4 h ILE 142 Ca 0.04 -0.46 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 1nf4 h ILE 142 Cb 0.64 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 34.55 1nf4 h ILE 142 CO 0.03 0.22 0.23 1.23 -0.69 0.00 0.00 178.15 179.17 1nf4 h GLY 143 N 1.01 0.52 0.55 5.37 0.00 -1.18 -1.57 103.07 107.78 1nf4 h GLY 143 Ca 0.27 -0.21 0.08 0.00 0.00 0.00 0.00 47.33 47.47 1nf4 h GLY 143 CO -0.05 0.20 0.35 0.23 0.00 0.00 0.00 176.54 177.27 1nf4 h SER 144 N 0.48 0.47 -0.22 0.19 0.87 -0.67 0.56 113.55 115.23 1nf4 h SER 144 Ca 0.13 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 1nf4 h SER 144 Cb -0.02 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 1nf4 h SER 144 CO -0.03 0.29 -0.07 0.45 -0.53 0.00 0.00 176.83 176.94 1nf4 h HIS 145 N 0.61 0.49 -0.38 2.24 -0.00 -0.74 0.50 115.15 117.87 1nf4 h HIS 145 Ca 0.32 -0.11 0.01 0.00 -0.00 0.00 0.00 60.37 60.59 1nf4 h HIS 145 Cb 0.29 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.56 1nf4 h HIS 145 CO -0.10 0.69 0.25 0.82 -0.00 0.00 0.00 177.93 179.58 1nf4 h ILE 146 N 0.16 1.08 -0.26 2.45 2.04 -1.07 0.86 117.51 122.77 1nf4 h ILE 146 Ca 0.05 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1nf4 h ILE 146 Cb 0.54 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1nf4 h ILE 146 CO 0.02 0.09 0.05 0.11 0.00 0.00 0.00 178.15 178.43 1nf4 h LYS 147 N 0.50 0.41 0.00 2.37 1.57 -0.80 -1.20 116.57 119.43 1nf4 h LYS 147 Ca 0.14 -0.10 -0.19 0.00 -1.87 0.00 0.00 60.65 58.63 1nf4 h LYS 147 Cb -0.04 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1nf4 h LYS 147 CO -0.04 0.52 -0.93 -0.91 -0.57 0.00 0.00 179.45 177.52 1nf4 h ASN 148 N 0.24 0.00 0.00 0.86 4.21 -0.73 -3.40 115.58 116.76 1nf4 h ASN 148 Ca 0.08 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.59 1nf4 h ASN 148 Cb 0.30 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.50 1nf4 h ASN 148 CO 0.00 0.91 -0.90 0.18 -1.29 0.00 0.00 177.43 176.34 1nf4 n LEU 149 N -3.32 0.00 0.00 1.61 4.77 0.30 -5.06 117.00 115.30 1nf4 n LEU 149 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1nf4 n LEU 149 Cb 0.91 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.00 1nf4 n LEU 149 CO 0.46 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1nf4 n GLY 150 N 2.42 3.25 0.36 -0.72 0.00 -0.45 -3.68 105.19 106.36 1nf4 n GLY 150 Ca 0.00 -0.20 0.05 0.00 0.00 0.00 0.00 46.02 45.87 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 3.76 0.78 -0.44 1.61 3.32 -1.94 -1.01 116.42 122.51 1nf4 h ASP 151 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1nf4 h ASP 151 Cb 0.00 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1nf4 h ASP 151 CO 0.00 0.51 0.21 0.74 -1.72 0.00 0.00 179.24 178.98 1nf4 h THR 152 N 0.89 1.17 -0.04 0.35 2.02 -1.99 -0.14 112.91 115.18 1nf4 h THR 152 Ca 0.34 -0.52 -0.07 0.00 0.77 0.00 0.00 66.41 66.93 1nf4 h THR 152 Cb 0.18 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1nf4 h THR 152 CO -0.11 0.21 -0.24 0.22 0.37 0.00 0.00 175.52 175.96 1nf4 h TYR 153 N 0.68 0.32 -0.31 3.16 3.20 -1.37 -3.27 116.97 119.38 1nf4 h TYR 153 Ca 0.17 -0.14 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1nf4 h TYR 153 Cb 0.11 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 1nf4 h TYR 153 CO 0.01 0.88 0.06 -0.07 -1.64 0.00 0.00 178.16 177.40 1nf4 h LEU 154 N -0.33 0.42 -1.85 2.82 3.38 -1.17 -2.43 115.31 116.14 1nf4 h LEU 154 Ca -0.02 -0.05 0.22 0.00 0.09 0.00 0.00 57.88 58.12 1nf4 h LEU 154 Cb 0.92 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 1nf4 h LEU 154 CO 0.05 0.44 0.58 0.00 0.09 0.00 0.00 178.44 179.60 1nf4 h ALA 155 N 1.63 2.59 0.00 1.53 0.00 -1.07 0.40 119.26 124.34 1nf4 h ALA 155 Ca 0.11 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1nf4 h ALA 155 Cb 0.20 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1nf4 h ALA 155 CO -0.00 -0.83 -0.64 -0.22 0.00 0.00 0.00 179.25 177.55 1nf4 h LYS 156 N 0.12 0.00 0.00 0.00 3.64 -1.54 -3.18 116.57 115.60 1nf4 h LYS 156 Ca 0.41 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.54 1nf4 h LYS 156 Cb 1.41 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.20 1nf4 h LYS 156 CO -0.06 0.64 -1.29 0.82 -2.27 0.00 0.00 179.45 177.30 1nf4 h ILE 157 N 0.00 1.35 -1.70 2.00 1.08 -0.36 -3.44 117.51 116.43 1nf4 h ILE 157 Ca -0.01 -3.12 -0.70 0.00 -0.39 0.00 0.00 64.86 60.64 1nf4 h ILE 157 Cb 1.14 2.67 0.02 0.00 -3.07 0.00 0.00 36.82 37.58 1nf4 h ILE 157 CO 0.08 0.77 0.97 0.00 -0.69 0.00 0.00 178.15 179.29 1nf4 n ALA 158 N -2.43 0.17 -0.76 1.87 0.00 -0.05 -1.66 120.51 117.64 1nf4 n ALA 158 Ca -0.07 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1nf4 n ALA 158 Cb 0.98 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 4.29 0.80 3.76 0.00 0.00 -0.82 -4.98 105.19 108.25 1nf4 n GLY 159 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 1nf4 n GLY 159 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nf4 s THR 160 N -3.07 3.24 0.40 2.61 -4.23 -0.66 -4.94 115.64 108.99 1nf4 s THR 160 Ca 0.00 0.44 -0.26 0.00 -1.18 0.00 0.00 61.69 60.69 1nf4 s THR 160 Cb 0.00 -2.92 -0.10 0.00 1.34 0.00 0.00 72.50 70.82 1nf4 s THR 160 CO 0.00 -0.49 1.27 -2.65 -0.54 0.00 0.00 174.62 172.21 1nf4 n PRO 161 N -3.30 1.97 -0.01 3.99 -0.02 -1.26 -3.74 135.00 132.62 1nf4 n PRO 161 Ca 0.10 0.70 0.05 0.00 -2.02 0.00 0.00 63.50 62.33 1nf4 n PRO 161 Cb 0.53 -2.37 0.05 0.00 -0.02 0.00 0.00 33.50 31.69 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 0.34 1.96 -4.75 2.55 3.41 -1.26 -3.10 113.62 112.76 1nf4 n SER 162 Ca 0.06 -1.48 -0.42 0.00 -0.26 0.00 0.00 58.87 56.77 1nf4 n SER 162 Cb 0.39 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.31 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 0.57 3.70 -1.12 4.04 2.88 -1.26 -4.23 113.62 118.20 1nf4 n SER 163 Ca 0.06 1.18 0.11 0.00 -1.33 0.00 0.00 58.87 58.89 1nf4 n SER 163 Cb 0.27 -1.59 0.22 0.00 -0.75 0.00 0.00 64.21 62.37 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 1.45 0.59 0.00 2.46 -2.24 -1.26 -4.92 114.28 110.35 1nf4 n THR 164 Ca 0.06 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 1nf4 n THR 164 Cb 0.37 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 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 1.42 -0.11 3.75 3.38 0.00 -1.26 -5.03 105.19 107.35 1nf4 n GLY 165 Ca 0.19 -2.28 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.53 2.14 0.70 2.61 -1.32 -1.26 -4.90 115.64 113.09 1nf4 s THR 166 Ca 0.00 0.12 -0.17 0.00 -1.21 0.00 0.00 61.69 60.43 1nf4 s THR 166 Cb 0.00 -3.08 -0.12 0.00 -1.51 0.00 0.00 72.50 67.79 1nf4 s THR 166 CO 0.00 0.02 -0.19 0.00 -2.21 0.00 0.00 174.62 172.24 1nf4 n ALA 167 N 1.88 -3.49 -1.50 11.08 0.00 -1.26 -4.80 120.51 122.42 1nf4 n ALA 167 Ca 0.07 -0.29 -0.45 0.00 0.00 0.00 0.00 53.44 52.77 1nf4 n ALA 167 Cb 0.38 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 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 2.19 2.19 -4.66 0.00 3.41 -1.26 -4.93 113.62 110.56 1nf4 n SER 168 Ca 0.05 0.16 -0.46 0.00 -0.26 0.00 0.00 58.87 58.37 1nf4 n SER 168 Cb 0.50 -1.35 -0.04 0.00 -0.26 0.00 0.00 64.21 63.07 1nf4 n SER 168 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1nf4 n LYS 169 N 8.50 2.37 -1.31 4.33 2.85 -1.26 -4.91 118.16 128.72 1nf4 n LYS 169 Ca 0.41 0.85 0.00 0.00 -1.05 0.00 0.00 58.31 58.52 1nf4 n LYS 169 Cb 0.31 -2.82 0.00 0.00 -0.65 0.00 0.00 35.03 31.87 1nf4 n LYS 169 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1nf4 n GLY 170 N 4.67 5.19 0.07 2.58 0.00 -1.26 -5.09 105.19 111.35 1nf4 n GLY 170 Ca 0.23 -1.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 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 0.65 -0.02 0.00 1.61 3.57 -2.06 -3.56 116.94 117.13 1nf4 h PHE 171 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1nf4 h PHE 171 Cb 0.00 0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1nf4 h PHE 171 CO 0.00 0.76 0.00 1.33 -2.23 0.00 0.00 178.31 178.17