#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c15 s ASP 2 N 0.00 6.17 -0.01 6.12 -4.77 -1.26 -4.88 116.67 118.04 1c15 s ASP 2 Ca 0.00 -0.90 -0.22 0.00 -3.30 0.00 0.00 52.55 48.13 1c15 s ASP 2 Cb 0.00 -2.44 -0.22 0.00 -1.09 0.00 0.00 42.92 39.16 1c15 s ASP 2 CO 0.00 -1.51 1.10 0.00 0.70 0.00 0.00 175.17 175.46 1c15 h ALA 3 N 9.64 0.08 -0.76 2.11 0.00 -2.01 -3.21 119.26 125.11 1c15 h ALA 3 Ca -0.29 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.14 1c15 h ALA 3 Cb 1.07 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1c15 h ALA 3 CO 1.20 0.21 0.51 -0.22 0.00 0.00 0.00 179.25 180.95 1c15 h LYS 4 N -0.26 0.96 -0.84 0.00 3.64 -1.89 -1.71 116.57 116.47 1c15 h LYS 4 Ca -0.04 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1c15 h LYS 4 Cb 1.11 -0.22 -0.05 0.00 -0.41 0.00 0.00 32.23 32.67 1c15 h LYS 4 CO 0.08 0.64 0.56 0.00 -2.27 0.00 0.00 179.45 178.45 1c15 h ALA 5 N 1.54 1.45 -0.14 5.00 0.00 -1.68 -0.75 119.26 124.68 1c15 h ALA 5 Ca 0.29 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1c15 h ALA 5 Cb -0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1c15 h ALA 5 CO -0.07 0.48 -0.15 -0.09 0.00 0.00 0.00 179.25 179.41 1c15 h ARG 6 N 1.08 0.22 0.00 0.00 2.43 -1.31 -2.14 114.38 114.66 1c15 h ARG 6 Ca 0.33 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.31 1c15 h ARG 6 Cb -0.03 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1c15 h ARG 6 CO -0.09 0.38 -0.61 -0.91 -1.51 0.00 0.00 179.97 177.23 1c15 h ASN 7 N 0.21 0.00 0.89 -3.80 4.21 -1.01 -3.17 115.58 112.90 1c15 h ASN 7 Ca 0.04 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.51 1c15 h ASN 7 Cb 0.41 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.61 1c15 h ASN 7 CO 0.03 0.61 -0.43 0.00 -1.29 0.00 0.00 177.43 176.35 1c15 h LEU 9 N -1.28 0.43 -0.00 0.00 7.12 -1.64 0.20 115.31 120.14 1c15 h LEU 9 Ca -0.12 0.03 -0.13 0.00 0.13 0.00 0.00 57.88 57.79 1c15 h LEU 9 Cb 0.91 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.97 1c15 h LEU 9 CO 0.20 0.20 -0.62 -0.07 -0.13 0.00 0.00 178.44 178.02 1c15 h LEU 10 N 0.45 0.00 -3.62 2.25 3.38 -1.46 -3.28 115.31 113.03 1c15 h LEU 10 Ca 0.42 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 58.02 1c15 h LEU 10 Cb 0.97 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.49 1c15 h LEU 10 CO -0.15 0.62 0.05 1.67 0.09 0.00 0.00 178.44 180.72 1c15 n GLN 11 N -3.26 2.32 -2.75 1.13 7.27 0.23 -4.57 117.38 117.75 1c15 n GLN 11 Ca 0.02 -3.35 -0.03 0.00 0.07 0.00 0.00 57.00 53.70 1c15 n GLN 11 Cb 0.78 -2.02 0.07 0.00 2.41 0.00 0.00 30.24 31.48 1c15 n GLN 11 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 1c15 n HIS 12 N -1.03 0.12 0.09 3.69 -0.00 0.14 -4.91 115.22 113.32 1c15 n HIS 12 Ca 0.44 -2.19 -0.06 0.00 0.46 0.00 0.00 57.72 56.37 1c15 n HIS 12 Cb 1.06 0.31 0.03 0.00 -0.12 0.00 0.00 29.99 31.28 1c15 n HIS 12 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 1c15 h ARG 13 N 2.30 0.11 -0.56 1.57 2.43 -1.81 -2.77 114.38 115.66 1c15 h ARG 13 Ca -0.21 -0.11 0.05 0.00 -0.81 0.00 0.00 59.98 58.90 1c15 h ARG 13 Cb 1.26 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.81 1c15 h ARG 13 CO 0.15 0.85 0.37 1.49 -1.51 0.00 0.00 179.97 181.32 1c15 h GLU 14 N 0.06 0.53 0.15 0.20 4.81 -1.97 0.15 114.58 118.52 1c15 h GLU 14 Ca -0.02 -0.03 -0.29 0.00 -0.13 0.00 0.00 59.36 58.88 1c15 h GLU 14 Cb 1.40 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 30.67 1c15 h GLU 14 CO 0.11 0.35 -1.47 0.00 -0.73 0.00 0.00 179.01 177.28 1c15 h ALA 15 N 1.69 0.12 -0.60 2.92 0.00 -1.96 -2.83 119.26 118.61 1c15 h ALA 15 Ca 0.24 -1.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.05 1c15 h ALA 15 Cb 0.24 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1c15 h ALA 15 CO -0.07 0.84 0.21 1.25 0.00 0.00 0.00 179.25 181.48 1c15 h LEU 16 N -0.16 0.82 -0.31 0.00 6.46 -1.19 -2.14 115.31 118.79 1c15 h LEU 16 Ca -0.30 -0.12 -0.19 0.00 -0.12 0.00 0.00 57.88 57.15 1c15 h LEU 16 Cb 1.88 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 41.58 1c15 h LEU 16 CO 0.12 0.76 -0.86 -0.08 -0.62 0.00 0.00 178.44 177.76 1c15 h GLU 17 N 0.87 0.15 -0.02 1.25 4.81 -0.75 0.15 114.58 121.04 1c15 h GLU 17 Ca 0.20 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1c15 h GLU 17 Cb 0.22 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 1c15 h GLU 17 CO -0.01 0.92 0.01 -0.22 -0.73 0.00 0.00 179.01 178.97 1c15 h LYS 18 N 0.08 0.04 0.00 1.92 3.64 -1.19 -3.36 116.57 117.70 1c15 h LYS 18 Ca -0.03 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 1c15 h LYS 18 Cb 1.49 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.29 1c15 h LYS 18 CO 0.13 0.27 -0.38 -0.44 -2.27 0.00 0.00 179.45 176.75 1c15 h ASP 19 N -0.19 0.00 -2.42 4.20 3.32 -1.47 -3.47 116.42 116.38 1c15 h ASP 19 Ca 0.01 -0.33 -0.49 0.00 0.02 0.00 0.00 57.03 56.24 1c15 h ASP 19 Cb 0.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1c15 h ASP 19 CO 0.00 0.88 -0.40 -0.63 -1.72 0.00 0.00 179.24 177.37 1c15 s ILE 20 N -2.04 5.25 -0.17 0.35 -1.09 0.53 -5.10 121.20 118.93 1c15 s ILE 20 Ca -0.14 -0.78 -0.18 0.00 -2.23 0.00 0.00 60.65 57.32 1c15 s ILE 20 Cb 0.01 -3.82 0.05 0.00 -1.58 0.00 0.00 42.46 37.12 1c15 s ILE 20 CO 0.33 -0.28 0.50 -0.54 -1.23 0.00 0.00 174.94 173.72 1c15 s LYS 21 N -3.77 0.63 -0.23 2.79 1.02 -1.26 -3.50 119.74 115.41 1c15 s LYS 21 Ca 0.35 0.60 -0.05 0.00 0.02 0.00 0.00 55.97 56.89 1c15 s LYS 21 Cb -0.10 0.30 -0.06 0.00 -0.52 0.00 0.00 37.83 37.46 1c15 s LYS 21 CO 0.30 -0.10 0.58 0.25 -0.92 0.00 0.00 175.35 175.46 1c15 n THR 22 N 2.55 0.00 -3.56 2.17 -2.24 -1.26 -4.74 114.28 107.19 1c15 n THR 22 Ca -0.14 -0.04 -0.04 0.00 -2.27 0.00 0.00 64.05 61.56 1c15 n THR 22 Cb 0.56 -0.08 0.02 0.00 -2.10 0.00 0.00 70.33 68.73 1c15 n THR 22 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1c15 n SER 23 N 2.02 -1.23 -0.28 3.42 7.64 -1.26 -4.98 113.62 118.95 1c15 n SER 23 Ca 0.15 -1.78 0.25 0.00 1.01 0.00 0.00 58.87 58.50 1c15 n SER 23 Cb 0.02 2.03 0.43 0.00 -1.01 0.00 0.00 64.21 65.68 1c15 n SER 23 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1c15 n TYR 24 N -0.36 0.56 0.12 1.43 9.36 -1.26 -0.08 117.16 126.92 1c15 n TYR 24 Ca -0.04 0.56 -0.08 0.00 3.32 0.00 0.00 57.90 61.67 1c15 n TYR 24 Cb 0.35 -0.97 -0.04 0.00 -0.63 0.00 0.00 39.34 38.05 1c15 n TYR 24 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 1c15 h ILE 25 N 0.00 0.00 0.01 2.97 1.08 -1.95 0.65 117.51 120.28 1c15 h ILE 25 Ca 0.57 0.00 -0.22 0.00 -0.39 0.00 0.00 64.86 64.82 1c15 h ILE 25 Cb 1.75 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.50 1c15 h ILE 25 CO -0.37 0.00 -0.95 0.24 -0.69 0.00 0.00 178.15 176.38 1c15 h MET 26 N -0.42 0.31 -0.84 2.37 2.86 -1.29 -2.89 114.93 115.02 1c15 h MET 26 Ca -0.03 -0.35 0.06 0.00 -2.06 0.00 0.00 59.70 57.32 1c15 h MET 26 Cb 0.37 0.10 -0.06 0.00 0.06 0.00 0.00 31.60 32.08 1c15 h MET 26 CO -0.04 1.06 0.52 0.22 1.06 0.00 0.00 176.91 179.73 1c15 h ASP 27 N 0.16 0.83 0.01 1.22 1.82 -0.45 0.35 116.42 120.36 1c15 h ASP 27 Ca -0.07 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.58 1c15 h ASP 27 Cb 1.59 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.44 1c15 h ASP 27 CO 0.16 0.53 -0.00 -0.74 -1.61 0.00 0.00 179.24 177.58 1c15 h HIS 28 N 0.96 -0.01 0.03 0.28 2.76 -0.91 -2.51 115.15 115.76 1c15 h HIS 28 Ca 0.36 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.53 1c15 h HIS 28 Cb 0.15 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.11 1c15 h HIS 28 CO -0.03 0.72 -0.02 0.52 -1.30 0.00 0.00 177.93 177.82 1c15 h MET 29 N -0.76 -0.04 0.00 5.26 2.86 -1.35 0.84 114.93 121.74 1c15 h MET 29 Ca -0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1c15 h MET 29 Cb 0.73 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.40 1c15 h MET 29 CO 0.00 -0.03 -0.06 0.82 1.06 0.00 0.00 176.91 178.71 1c15 h ILE 30 N -0.05 0.91 0.00 -1.22 2.04 -0.43 -1.99 117.51 116.78 1c15 h ILE 30 Ca -0.00 -0.21 -0.09 0.00 1.00 0.00 0.00 64.86 65.56 1c15 h ILE 30 Cb 0.04 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1c15 h ILE 30 CO 0.01 0.06 -1.24 -1.20 0.00 0.00 0.00 178.15 175.78 1c15 n SER 31 N -4.27 0.84 0.33 1.72 7.64 -0.81 -2.71 113.62 116.36 1c15 n SER 31 Ca -0.03 0.35 0.21 0.00 1.01 0.00 0.00 58.87 60.41 1c15 n SER 31 Cb 0.14 0.33 1.13 0.00 -1.01 0.00 0.00 64.21 64.80 1c15 n SER 31 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1c15 h ASP 32 N 0.00 0.00 0.00 6.43 1.82 0.15 -3.44 116.42 121.38 1c15 h ASP 32 Ca -0.09 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 1c15 h ASP 32 Cb 1.31 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.32 1c15 h ASP 32 CO 0.02 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.26 1c15 n GLY 33 N -1.15 0.65 0.00 -0.78 0.00 -1.23 -5.05 105.19 97.63 1c15 n GLY 33 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1c15 n GLY 33 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1c15 n PHE 34 N 0.00 0.00 -3.96 1.61 3.01 -1.21 -4.76 117.46 112.15 1c15 n PHE 34 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.24 1c15 n PHE 34 Cb 0.00 -0.42 -0.05 0.00 -0.01 0.00 0.00 39.48 39.00 1c15 n PHE 34 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1c15 s LEU 35 N -4.16 3.50 0.47 4.37 2.01 -1.10 -5.01 118.68 118.77 1c15 s LEU 35 Ca 0.00 -0.55 -0.24 0.00 0.01 0.00 0.00 54.13 53.35 1c15 s LEU 35 Cb 0.00 -2.06 -0.07 0.00 0.01 0.00 0.00 46.19 44.07 1c15 s LEU 35 CO 0.00 -0.28 1.35 0.42 1.01 0.00 0.00 176.35 178.86 1c15 s THR 36 N -2.32 2.28 0.20 5.49 -4.23 -1.26 -4.52 115.64 111.27 1c15 s THR 36 Ca 0.38 0.23 0.28 0.00 -1.18 0.00 0.00 61.69 61.40 1c15 s THR 36 Cb -0.05 -3.13 0.29 0.00 1.34 0.00 0.00 72.50 70.95 1c15 s THR 36 CO 0.25 0.02 1.93 0.40 -0.54 0.00 0.00 174.62 176.68 1c15 h ILE 37 N 2.00 0.40 -0.23 2.99 5.03 -1.92 -2.85 117.51 122.93 1c15 h ILE 37 Ca -0.50 -0.82 0.07 0.00 -0.12 0.00 0.00 64.86 63.48 1c15 h ILE 37 Cb 1.27 1.60 -0.01 0.00 -3.03 0.00 0.00 36.82 36.65 1c15 h ILE 37 CO 0.60 0.14 0.20 0.28 -0.68 0.00 0.00 178.15 178.69 1c15 h SER 38 N 0.00 0.00 -0.61 1.72 0.02 -1.97 -0.83 113.55 111.88 1c15 h SER 38 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1c15 h SER 38 Cb 0.59 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.10 1c15 h SER 38 CO 0.02 0.00 0.28 -0.08 -1.14 0.00 0.00 176.83 175.91 1c15 h GLU 39 N 0.00 0.92 -0.30 3.45 4.81 -1.88 -2.08 114.58 119.50 1c15 h GLU 39 Ca 0.11 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1c15 h GLU 39 Cb 0.51 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1c15 h GLU 39 CO -0.00 0.74 0.17 1.49 -0.73 0.00 0.00 179.01 180.68 1c15 h GLU 40 N 0.92 0.41 -0.05 1.92 4.22 -1.34 -0.10 114.58 120.55 1c15 h GLU 40 Ca 0.22 -0.03 -0.10 0.00 0.08 0.00 0.00 59.36 59.53 1c15 h GLU 40 Cb 0.14 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1c15 h GLU 40 CO -0.02 0.30 -0.43 1.49 -2.18 0.00 0.00 179.01 178.16 1c15 h GLU 41 N 0.42 0.11 0.00 1.92 4.81 -1.44 -2.56 114.58 117.84 1c15 h GLU 41 Ca 0.11 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1c15 h GLU 41 Cb 0.00 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1c15 h GLU 41 CO -0.02 0.53 -0.26 -0.22 -0.73 0.00 0.00 179.01 178.30 1c15 h LYS 42 N 0.09 0.00 -1.10 1.92 3.64 -1.19 -3.36 116.57 116.57 1c15 h LYS 42 Ca 0.01 0.00 0.30 0.00 -1.27 0.00 0.00 60.65 59.69 1c15 h LYS 42 Cb 0.81 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.55 1c15 h LYS 42 CO 0.06 0.05 0.74 0.28 -2.27 0.00 0.00 179.45 178.32 1c15 h VAL 43 N -1.00 0.47 -0.87 2.00 2.07 -1.17 0.70 116.25 118.45 1c15 h VAL 43 Ca -0.01 -0.08 0.23 0.00 0.82 0.00 0.00 66.70 67.66 1c15 h VAL 43 Cb 0.29 0.23 -0.15 0.00 -1.52 0.00 0.00 31.29 30.15 1c15 h VAL 43 CO -0.01 0.04 0.16 -0.09 0.02 0.00 0.00 177.57 177.69 1c15 h ARG 44 N 0.22 0.15 0.00 1.57 2.43 -1.60 -3.27 114.38 113.88 1c15 h ARG 44 Ca 0.58 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.74 1c15 h ARG 44 Cb 1.83 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.35 1c15 h ARG 44 CO -0.18 0.10 -0.20 -1.71 -1.51 0.00 0.00 179.97 176.47 1c15 n ASN 45 N -5.29 0.00 -0.03 -3.80 2.85 -0.59 -4.91 115.26 103.50 1c15 n ASN 45 Ca 0.20 -1.40 -0.16 0.00 -0.11 0.00 0.00 54.58 53.11 1c15 n ASN 45 Cb 0.65 -0.08 -0.14 0.00 1.24 0.00 0.00 39.78 41.46 1c15 n ASN 45 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1c15 h GLU 46 N 0.00 0.11 -7.45 1.20 4.22 0.32 -3.46 114.58 109.51 1c15 h GLU 46 Ca 0.00 -0.18 -0.48 0.00 0.08 0.00 0.00 59.36 58.78 1c15 h GLU 46 Cb 1.16 0.07 0.12 0.00 0.50 0.00 0.00 28.75 30.59 1c15 h GLU 46 CO 0.00 1.08 0.33 -1.25 -2.18 0.00 0.00 179.01 176.99 1c15 s PRO 47 N -2.30 1.80 0.00 0.92 0.04 -1.26 -5.01 135.00 129.19 1c15 s PRO 47 Ca -0.17 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.36 1c15 s PRO 47 Cb -0.02 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1c15 s PRO 47 CO 0.74 -1.78 0.00 2.41 0.04 0.00 0.00 177.00 178.41 1c15 n THR 48 N -3.52 0.00 -1.56 1.26 -1.04 -1.26 -4.96 114.28 103.21 1c15 n THR 48 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1c15 n THR 48 Cb 0.58 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.82 1c15 n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1c15 n GLN 49 N -1.95 2.71 0.14 -2.82 1.13 -1.26 -4.93 117.38 110.41 1c15 n GLN 49 Ca 0.00 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.17 1c15 n GLN 49 Cb 0.09 0.00 0.53 0.00 0.11 0.00 0.00 30.24 30.97 1c15 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1c15 n GLN 50 N 0.00 0.16 0.34 -1.09 10.64 -1.26 -2.44 117.38 123.72 1c15 n GLN 50 Ca 0.00 0.55 0.18 0.00 -1.83 0.00 0.00 57.00 55.90 1c15 n GLN 50 Cb 0.00 -1.91 0.98 0.00 -0.86 0.00 0.00 30.24 28.45 1c15 n GLN 50 CO 0.00 0.00 0.00 0.37 -1.83 0.00 0.00 177.06 175.60 1c15 h GLN 51 N 0.00 0.00 -0.53 2.61 4.15 -1.99 -2.59 115.11 116.76 1c15 h GLN 51 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.53 1c15 h GLN 51 Cb 0.15 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 27.74 1c15 h GLN 51 CO 0.00 0.00 -0.11 -0.09 -1.93 0.00 0.00 178.83 176.70 1c15 h ARG 52 N 0.00 0.02 -0.03 1.69 2.43 -1.85 -2.08 114.38 114.57 1c15 h ARG 52 Ca 0.00 -0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 1c15 h ARG 52 Cb 0.40 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1c15 h ARG 52 CO 0.00 0.01 -0.69 0.00 -1.51 0.00 0.00 179.97 177.79 1c15 h ALA 53 N 1.52 0.12 -1.21 2.80 0.00 -1.75 -3.09 119.26 117.65 1c15 h ALA 53 Ca 0.26 -0.59 0.35 0.00 0.00 0.00 0.00 54.91 54.93 1c15 h ALA 53 Cb 0.40 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.13 1c15 h ALA 53 CO -0.53 0.45 0.82 0.00 0.00 0.00 0.00 179.25 179.99 1c15 h ALA 54 N 0.38 2.72 0.00 0.00 0.00 -1.44 0.97 119.26 121.88 1c15 h ALA 54 Ca -0.08 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1c15 h ALA 54 Cb 1.37 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 1c15 h ALA 54 CO 0.14 -1.17 -0.90 1.98 0.00 0.00 0.00 179.25 179.29 1c15 h MET 55 N 0.18 0.00 0.07 0.00 -1.53 -1.41 -3.05 114.93 109.19 1c15 h MET 55 Ca 0.67 0.00 -0.14 0.00 -3.44 0.00 0.00 59.70 56.78 1c15 h MET 55 Cb 2.14 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 33.19 1c15 h MET 55 CO -0.23 0.36 -0.68 1.25 0.14 0.00 0.00 176.91 177.75 1c15 h LEU 56 N 0.00 0.24 -0.97 3.39 5.85 0.85 -2.97 115.31 121.69 1c15 h LEU 56 Ca -0.07 -0.91 -0.10 0.00 0.84 0.00 0.00 57.88 57.64 1c15 h LEU 56 Cb 1.42 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 1c15 h LEU 56 CO 0.05 1.30 -0.39 0.40 -0.34 0.00 0.00 178.44 179.46 1c15 h ILE 57 N -0.64 1.30 -0.29 4.05 5.03 -0.63 -3.00 117.51 123.33 1c15 h ILE 57 Ca -0.14 -1.47 -0.18 0.00 -0.12 0.00 0.00 64.86 62.95 1c15 h ILE 57 Cb 1.41 1.65 -0.00 0.00 -3.03 0.00 0.00 36.82 36.85 1c15 h ILE 57 CO 0.05 0.44 -0.52 0.11 -0.68 0.00 0.00 178.15 177.54 1c15 h LYS 58 N 0.20 0.85 -0.10 2.37 1.57 -1.66 -2.96 116.57 116.84 1c15 h LYS 58 Ca 0.02 -0.52 0.03 0.00 -1.87 0.00 0.00 60.65 58.31 1c15 h LYS 58 Cb 0.78 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 1c15 h LYS 58 CO 0.06 1.16 0.08 0.52 -0.57 0.00 0.00 179.45 180.70 1c15 h MET 59 N 0.66 0.00 0.65 3.15 2.86 -1.38 0.37 114.93 121.24 1c15 h MET 59 Ca 0.02 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1c15 h MET 59 Cb 1.12 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.79 1c15 h MET 59 CO 0.12 0.00 -0.31 0.82 1.06 0.00 0.00 176.91 178.59 1c15 h ILE 60 N 0.00 0.01 -0.37 -1.22 2.04 -1.47 -2.35 117.51 114.16 1c15 h ILE 60 Ca 0.05 -0.36 -0.14 0.00 1.00 0.00 0.00 64.86 65.41 1c15 h ILE 60 Cb 0.20 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 1c15 h ILE 60 CO -0.00 0.00 -0.35 -0.07 0.00 0.00 0.00 178.15 177.74 1c15 h LEU 61 N -1.23 0.89 -2.45 1.44 -0.00 -1.53 -2.83 115.31 109.60 1c15 h LEU 61 Ca -0.09 -0.39 0.00 0.00 -0.00 0.00 0.00 57.88 57.41 1c15 h LEU 61 Cb 0.68 -0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 41.09 1c15 h LEU 61 CO 0.15 1.15 0.01 0.11 -0.00 0.00 0.00 178.44 179.85 1c15 h LYS 62 N 0.70 0.00 0.15 1.13 1.79 -0.34 -3.13 116.57 116.88 1c15 h LYS 62 Ca 0.07 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1c15 h LYS 62 Cb 0.91 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1c15 h LYS 62 CO 0.08 0.00 -0.07 -0.22 -1.08 0.00 0.00 179.45 178.16 1c15 h LYS 63 N 0.00 -0.19 -2.96 3.15 1.63 -1.16 -3.50 116.57 113.55 1c15 h LYS 63 Ca 0.00 0.01 0.08 0.00 -0.85 0.00 0.00 60.65 59.89 1c15 h LYS 63 Cb 0.02 0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 31.64 1c15 h LYS 63 CO -0.00 -0.13 0.25 0.34 -3.45 0.00 0.00 179.45 176.46 1c15 s ASP 64 N -3.76 -0.26 0.17 4.20 2.15 -1.18 -5.04 116.67 112.95 1c15 s ASP 64 Ca -0.03 -0.59 0.14 0.00 0.43 0.00 0.00 52.55 52.50 1c15 s ASP 64 Cb 0.00 0.71 -0.05 0.00 -0.30 0.00 0.00 42.92 43.28 1c15 s ASP 64 CO 0.09 -1.32 1.18 0.78 -0.17 0.00 0.00 175.17 175.73 1c15 h ASN 65 N 2.00 0.00 -0.75 -0.34 -0.26 -1.89 -3.32 115.58 111.02 1c15 h ASN 65 Ca -0.19 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.51 1c15 h ASN 65 Cb 1.25 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.48 1c15 h ASN 65 CO 0.23 0.61 0.32 0.44 -1.06 0.00 0.00 177.43 177.97 1c15 h ASP 66 N 0.00 1.03 -0.33 5.81 3.32 -1.96 -2.25 116.42 122.05 1c15 h ASP 66 Ca -0.07 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1c15 h ASP 66 Cb 1.53 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 1c15 h ASP 66 CO 0.07 0.91 0.22 -1.28 -1.72 0.00 0.00 179.24 177.43 1c15 h SER 67 N 1.08 0.38 -0.58 6.45 0.87 -1.89 -1.83 113.55 118.02 1c15 h SER 67 Ca 0.25 -0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.72 1c15 h SER 67 Cb 0.19 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 1c15 h SER 67 CO -0.02 0.28 0.05 0.22 -0.53 0.00 0.00 176.83 176.82 1c15 h TYR 68 N 0.45 1.08 -0.42 2.24 3.20 -1.54 -1.69 116.97 120.28 1c15 h TYR 68 Ca 0.12 -0.17 -0.12 0.00 3.14 0.00 0.00 58.73 61.71 1c15 h TYR 68 Cb -0.05 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 37.92 1c15 h TYR 68 CO 0.00 0.95 -0.19 0.28 -1.64 0.00 0.00 178.16 177.56 1c15 h VAL 69 N 0.90 1.28 -0.20 1.81 2.07 -1.22 -2.89 116.25 117.99 1c15 h VAL 69 Ca 0.17 -1.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.32 1c15 h VAL 69 Cb 0.49 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1c15 h VAL 69 CO 0.02 0.45 -0.09 -1.28 0.02 0.00 0.00 177.57 176.69 1c15 h SER 70 N 0.69 0.30 -0.81 0.57 0.87 -1.21 -2.60 113.55 111.36 1c15 h SER 70 Ca 0.10 -0.06 0.04 0.00 -1.23 0.00 0.00 61.79 60.64 1c15 h SER 70 Cb 0.75 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.57 1c15 h SER 70 CO 0.06 0.43 0.51 0.15 -0.53 0.00 0.00 176.83 177.44 1c15 h PHE 71 N 0.30 0.95 -0.67 2.24 3.57 -1.09 0.16 116.94 122.39 1c15 h PHE 71 Ca 0.06 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1c15 h PHE 71 Cb 0.35 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1c15 h PHE 71 CO 0.01 0.51 0.28 -0.92 -2.23 0.00 0.00 178.31 175.96 1c15 h TYR 72 N 0.96 0.98 0.02 0.41 3.20 -1.46 -2.64 116.97 118.44 1c15 h TYR 72 Ca 0.34 -0.05 -0.21 0.00 3.14 0.00 0.00 58.73 61.94 1c15 h TYR 72 Cb 0.08 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 1c15 h TYR 72 CO -0.03 0.74 -0.94 -0.97 -1.64 0.00 0.00 178.16 175.32 1c15 h ASN 73 N 0.96 0.27 0.08 -2.11 -0.73 -1.29 -2.75 115.58 110.02 1c15 h ASN 73 Ca 0.23 -0.23 -0.03 0.00 1.87 0.00 0.00 56.30 58.14 1c15 h ASN 73 Cb 0.16 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.66 1c15 h ASN 73 CO -0.02 1.06 -0.10 0.00 -0.37 0.00 0.00 177.43 178.00 1c15 h ALA 74 N 0.91 1.75 0.19 1.57 0.00 -0.38 -1.74 119.26 121.57 1c15 h ALA 74 Ca -0.05 -0.12 -0.35 0.00 0.00 0.00 0.00 54.91 54.39 1c15 h ALA 74 Cb 1.60 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.36 1c15 h ALA 74 CO 0.14 0.19 -1.72 -0.07 0.00 0.00 0.00 179.25 177.79 1c15 h LEU 75 N 0.06 0.62 -0.92 0.00 3.38 -1.48 -3.31 115.31 113.66 1c15 h LEU 75 Ca 0.01 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.08 1c15 h LEU 75 Cb 0.22 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1c15 h LEU 75 CO 0.01 1.76 0.00 -0.07 0.09 0.00 0.00 178.44 180.23 1c15 h LEU 76 N 0.11 0.00 -1.60 1.67 3.38 -1.25 -2.31 115.31 115.30 1c15 h LEU 76 Ca -0.33 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1c15 h LEU 76 Cb 2.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.85 1c15 h LEU 76 CO 0.18 0.00 -0.05 -0.74 0.09 0.00 0.00 178.44 177.93 1c15 h HIS 77 N 0.00 0.00 0.00 1.13 2.76 -1.40 -3.39 115.15 114.24 1c15 h HIS 77 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1c15 h HIS 77 Cb 0.34 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.30 1c15 h HIS 77 CO 0.00 0.05 0.00 0.39 -1.30 0.00 0.00 177.93 177.07 1c15 n GLU 78 N -3.19 0.00 -1.26 5.26 1.02 -1.01 -5.03 120.64 116.42 1c15 n GLU 78 Ca -0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 1c15 n GLU 78 Cb 0.30 -0.12 0.01 0.00 -0.02 0.00 0.00 31.44 31.61 1c15 n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1c15 n GLY 79 N 2.87 -0.26 1.61 0.62 0.00 -1.18 -4.98 105.19 103.87 1c15 n GLY 79 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.08 1c15 n GLY 79 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1c15 n TYR 80 N -0.21 1.57 -0.46 1.61 4.01 -0.90 -4.55 117.16 118.24 1c15 n TYR 80 Ca -0.05 -0.59 0.42 0.00 -0.16 0.00 0.00 57.90 57.51 1c15 n TYR 80 Cb 0.49 -0.31 0.77 0.00 -0.31 0.00 0.00 39.34 39.98 1c15 n TYR 80 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1c15 h LYS 81 N 3.81 0.00 -0.07 -0.72 3.64 -1.89 0.95 116.57 122.28 1c15 h LYS 81 Ca 0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1c15 h LYS 81 Cb 1.53 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.36 1c15 h LYS 81 CO 0.30 0.00 -0.39 -0.44 -2.27 0.00 0.00 179.45 176.65 1c15 h ASP 82 N 0.00 0.46 0.19 4.20 5.19 -1.98 -1.67 116.42 122.81 1c15 h ASP 82 Ca 0.70 -0.66 -0.31 0.00 -0.62 0.00 0.00 57.03 56.13 1c15 h ASP 82 Cb 2.84 -0.14 0.03 0.00 0.18 0.00 0.00 39.33 42.25 1c15 h ASP 82 CO -0.01 1.05 -1.34 0.25 -3.12 0.00 0.00 179.24 176.07 1c15 h LEU 83 N -0.09 0.86 -1.38 1.55 7.12 -0.54 -3.18 115.31 119.65 1c15 h LEU 83 Ca -0.03 -0.87 -0.06 0.00 0.13 0.00 0.00 57.88 57.05 1c15 h LEU 83 Cb 1.05 -0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 40.89 1c15 h LEU 83 CO 0.08 1.66 -0.22 0.00 -0.13 0.00 0.00 178.44 179.83 1c15 h ALA 84 N 0.22 1.49 -0.22 1.25 0.00 0.56 -2.54 119.26 120.01 1c15 h ALA 84 Ca -0.22 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 1c15 h ALA 84 Cb 2.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 1c15 h ALA 84 CO 0.25 0.37 -0.36 0.00 0.00 0.00 0.00 179.25 179.51 1c15 h ALA 85 N 1.65 0.97 -0.43 0.00 0.00 -1.34 -1.60 119.26 118.51 1c15 h ALA 85 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1c15 h ALA 85 Cb 0.46 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1c15 h ALA 85 CO 0.03 0.61 0.28 1.25 0.00 0.00 0.00 179.25 181.43 1c15 h LEU 86 N 0.41 0.49 -0.33 0.00 5.85 -1.43 0.23 115.31 120.52 1c15 h LEU 86 Ca 0.04 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 1c15 h LEU 86 Cb 0.82 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1c15 h LEU 86 CO 0.07 0.36 -0.40 -0.07 -0.34 0.00 0.00 178.44 178.06 1c15 h LEU 87 N 0.58 0.00 0.15 2.25 3.38 -1.53 -3.27 115.31 116.87 1c15 h LEU 87 Ca 0.16 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.88 1c15 h LEU 87 Cb -0.07 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.71 1c15 h LEU 87 CO -0.03 0.40 -1.04 -0.74 0.09 0.00 0.00 178.44 177.11 1c15 h HIS 88 N 0.00 0.76 0.00 1.13 2.76 -0.77 -3.22 115.15 115.80 1c15 h HIS 88 Ca -0.00 -0.52 0.00 0.00 -2.20 0.00 0.00 60.37 57.64 1c15 h HIS 88 Cb 1.18 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.09 1c15 h HIS 88 CO 0.00 1.39 0.00 -0.44 -1.30 0.00 0.00 177.93 177.58 1c15 h ASP 89 N -0.09 0.00 1.29 3.26 3.32 -0.64 -0.47 116.42 123.09 1c15 h ASP 89 Ca -0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1c15 h ASP 89 Cb 1.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.34 1c15 h ASP 89 CO 0.20 0.00 -0.64 1.23 -1.72 0.00 0.00 179.24 178.31 1c15 h GLY 90 N 0.15 0.00 0.90 2.75 0.00 -1.60 -3.34 103.07 101.93 1c15 h GLY 90 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1c15 h GLY 90 CO 0.00 0.00 -0.05 -2.22 0.00 0.00 0.00 176.54 174.27 1c15 h ILE 91 N 0.00 0.95 0.00 2.60 2.04 -1.10 -3.39 117.51 118.62 1c15 h ILE 91 Ca 0.00 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1c15 h ILE 91 Cb 0.96 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1c15 h ILE 91 CO 0.00 0.05 0.00 -0.81 0.00 0.00 0.00 178.15 177.39 1c15 n PRO 92 N -5.11 0.00 -4.12 2.37 -0.04 -1.25 -3.96 135.00 122.89 1c15 n PRO 92 Ca -0.08 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.23 1c15 n PRO 92 Cb 0.12 -0.45 -0.12 0.00 -0.04 0.00 0.00 33.50 33.01 1c15 n PRO 92 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1c15 s VAL 93 N -0.20 0.58 -0.03 0.52 1.01 -1.25 -4.90 120.40 116.13 1c15 s VAL 93 Ca 0.00 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.18 1c15 s VAL 93 Cb 0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 36.38 35.73 1c15 s VAL 93 CO 0.00 -0.20 0.04 0.52 0.00 0.00 0.00 175.10 175.46 1c15 n VAL 94 N 1.91 0.18 -0.00 2.92 0.31 -1.26 -4.27 118.33 118.12 1c15 n VAL 94 Ca -0.19 -0.14 -0.11 0.00 -0.01 0.00 0.00 64.34 63.88 1c15 n VAL 94 Cb 0.56 -0.47 -0.05 0.00 -0.91 0.00 0.00 33.84 32.97 1c15 n VAL 94 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1c15 h SER 95 N 0.00 0.10 0.11 4.52 0.87 -1.96 -3.25 113.55 113.94 1c15 h SER 95 Ca -0.07 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1c15 h SER 95 Cb 0.89 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1c15 h SER 95 CO 0.00 0.07 -0.05 0.28 -0.53 0.00 0.00 176.83 176.60 1c15 h SER 96 N 0.12 -0.13 -0.03 6.23 0.02 -2.01 -3.56 113.55 114.20 1c15 h SER 96 Ca 0.04 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1c15 h SER 96 Cb -0.01 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1c15 h SER 96 CO -0.02 0.50 0.00 -0.24 -1.14 0.00 0.00 176.83 175.93