#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 3.93 0.40 7.83 -4.77 -1.26 -4.98 116.67 117.81 1c15 s ASP 2 Ca 0.00 -1.58 0.11 0.00 -3.30 0.00 0.00 52.55 47.78 1c15 s ASP 2 Cb 0.00 -0.76 0.82 0.00 -1.09 0.00 0.00 42.92 41.89 1c15 s ASP 2 CO 0.00 -0.42 1.92 0.00 0.70 0.00 0.00 175.17 177.37 1c15 h ALA 3 N 8.14 1.53 -0.19 2.11 0.00 -1.95 -2.36 119.26 126.53 1c15 h ALA 3 Ca -0.15 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1c15 h ALA 3 Cb 1.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1c15 h ALA 3 CO 0.46 0.34 -0.05 -0.22 0.00 0.00 0.00 179.25 179.78 1c15 h LYS 4 N 0.15 0.29 -0.83 0.00 3.64 -1.89 -2.49 116.57 115.44 1c15 h LYS 4 Ca 0.03 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1c15 h LYS 4 Cb 0.40 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 1c15 h LYS 4 CO 0.03 0.36 0.40 0.00 -2.27 0.00 0.00 179.45 177.97 1c15 h ALA 5 N 1.67 1.08 0.00 5.00 0.00 -1.41 -1.92 119.26 123.67 1c15 h ALA 5 Ca 0.06 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1c15 h ALA 5 Cb 0.28 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1c15 h ALA 5 CO 0.01 0.64 -0.27 -0.09 0.00 0.00 0.00 179.25 179.54 1c15 h ARG 6 N 1.19 0.00 -0.02 0.00 2.43 -1.51 -2.50 114.38 113.97 1c15 h ARG 6 Ca 0.29 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.29 1c15 h ARG 6 Cb 0.11 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1c15 h ARG 6 CO -0.04 0.27 -0.73 -0.91 -1.51 0.00 0.00 179.97 177.05 1c15 h ASN 7 N 0.00 0.16 0.19 -3.80 -0.26 -1.25 -2.98 115.58 107.64 1c15 h ASN 7 Ca -0.00 -0.11 -0.01 0.00 -0.56 0.00 0.00 56.30 55.61 1c15 h ASN 7 Cb 0.49 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.70 1c15 h ASN 7 CO 0.04 0.83 -0.09 0.00 -1.06 0.00 0.00 177.43 177.15 1c15 h LEU 9 N -0.28 0.59 -1.30 0.00 7.12 -1.60 -1.82 115.31 118.01 1c15 h LEU 9 Ca -0.03 -0.06 -0.04 0.00 0.13 0.00 0.00 57.88 57.88 1c15 h LEU 9 Cb 0.22 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 40.18 1c15 h LEU 9 CO 0.04 0.53 0.06 -0.07 -0.13 0.00 0.00 178.44 178.87 1c15 h LEU 10 N 0.66 0.48 -3.45 2.25 3.38 -1.30 -1.79 115.31 115.54 1c15 h LEU 10 Ca 0.16 -0.07 -0.22 0.00 0.09 0.00 0.00 57.88 57.84 1c15 h LEU 10 Cb 0.12 -0.13 -0.13 0.00 0.09 0.00 0.00 40.66 40.61 1c15 h LEU 10 CO -0.02 0.51 0.28 1.67 0.09 0.00 0.00 178.44 180.98 1c15 n GLN 11 N -4.32 3.22 -0.67 1.13 7.27 -0.72 -4.33 117.38 118.96 1c15 n GLN 11 Ca 0.02 -2.63 0.05 0.00 0.07 0.00 0.00 57.00 54.51 1c15 n GLN 11 Cb 0.21 -2.08 0.30 0.00 2.41 0.00 0.00 30.24 31.07 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 -0.18 1.56 0.18 3.69 -0.00 -0.67 -4.45 115.22 115.35 1c15 n HIS 12 Ca 0.37 -0.54 -0.12 0.00 0.46 0.00 0.00 57.72 57.89 1c15 n HIS 12 Cb 1.28 -0.41 -0.07 0.00 -0.12 0.00 0.00 29.99 30.68 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 2.98 -0.49 -0.36 1.57 2.43 -1.80 0.11 114.38 118.82 1c15 h ARG 13 Ca 0.00 0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1c15 h ARG 13 Cb 1.61 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 31.26 1c15 h ARG 13 CO 0.37 -0.18 -0.06 1.49 -1.51 0.00 0.00 179.97 180.07 1c15 h GLU 14 N -0.97 0.60 -0.14 0.20 4.81 -1.96 -2.29 114.58 114.83 1c15 h GLU 14 Ca -0.05 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 58.96 1c15 h GLU 14 Cb 0.53 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 1c15 h GLU 14 CO 0.09 0.66 -0.15 0.00 -0.73 0.00 0.00 179.01 178.87 1c15 h ALA 15 N 1.38 0.21 -1.00 2.92 0.00 -1.80 -3.15 119.26 117.81 1c15 h ALA 15 Ca 0.11 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1c15 h ALA 15 Cb 0.45 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1c15 h ALA 15 CO 0.02 0.10 0.66 1.25 0.00 0.00 0.00 179.25 181.28 1c15 h LEU 16 N -0.03 1.13 -0.90 0.00 5.85 -0.65 0.65 115.31 121.37 1c15 h LEU 16 Ca 0.02 -0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.85 1c15 h LEU 16 Cb 0.69 -0.27 -0.09 0.00 0.37 0.00 0.00 40.66 41.36 1c15 h LEU 16 CO 0.04 0.79 0.51 -0.08 -0.34 0.00 0.00 178.44 179.36 1c15 h GLU 17 N 1.32 0.74 0.00 1.25 4.81 -1.38 0.64 114.58 121.96 1c15 h GLU 17 Ca 0.38 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.49 1c15 h GLU 17 Cb -0.08 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 1c15 h GLU 17 CO -0.10 0.49 -0.78 -0.22 -0.73 0.00 0.00 179.01 177.67 1c15 h LYS 18 N 0.77 0.00 0.00 1.92 3.64 -1.38 -3.39 116.57 118.12 1c15 h LYS 18 Ca 0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.85 1c15 h LYS 18 Cb 0.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1c15 h LYS 18 CO -0.31 0.24 -0.12 -0.44 -2.27 0.00 0.00 179.45 176.55 1c15 h ASP 19 N 0.00 0.00 -5.13 4.20 5.19 0.74 -3.50 116.42 117.93 1c15 h ASP 19 Ca -0.05 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.27 1c15 h ASP 19 Cb 1.29 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 40.65 1c15 h ASP 19 CO 0.03 0.30 -0.36 -0.63 -3.12 0.00 0.00 179.24 175.46 1c15 s ILE 20 N -1.42 0.13 -0.02 0.35 1.01 0.21 -5.06 121.20 116.40 1c15 s ILE 20 Ca -0.03 -1.06 0.05 0.00 0.00 0.00 0.00 60.65 59.60 1c15 s ILE 20 Cb 0.00 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.24 1c15 s ILE 20 CO 0.05 -0.59 -0.14 -0.54 0.00 0.00 0.00 174.94 173.72 1c15 s LYS 21 N -3.46 2.39 -0.21 2.79 1.02 -1.26 -4.04 119.74 116.97 1c15 s LYS 21 Ca 0.02 -0.78 -0.06 0.00 0.02 0.00 0.00 55.97 55.17 1c15 s LYS 21 Cb 0.03 -2.34 -0.05 0.00 -0.52 0.00 0.00 37.83 34.95 1c15 s LYS 21 CO -0.09 0.60 0.56 0.25 -0.92 0.00 0.00 175.35 175.75 1c15 n THR 22 N 2.01 0.00 -3.77 2.17 -2.24 -1.26 -4.79 114.28 106.40 1c15 n THR 22 Ca -0.17 -0.01 -0.08 0.00 -2.27 0.00 0.00 64.05 61.52 1c15 n THR 22 Cb 0.52 -0.09 -0.01 0.00 -2.10 0.00 0.00 70.33 68.65 1c15 n THR 22 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1c15 n SER 23 N 2.09 -1.05 -0.23 3.42 2.88 -1.26 -4.93 113.62 114.54 1c15 n SER 23 Ca 0.14 -2.16 0.22 0.00 -1.33 0.00 0.00 58.87 55.74 1c15 n SER 23 Cb 0.01 1.88 0.40 0.00 -0.75 0.00 0.00 64.21 65.74 1c15 n SER 23 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1c15 n TYR 24 N -0.36 0.67 0.13 0.66 9.36 -1.26 0.47 117.16 126.83 1c15 n TYR 24 Ca -0.01 0.68 -0.07 0.00 3.32 0.00 0.00 57.90 61.81 1c15 n TYR 24 Cb 0.38 -1.10 -0.04 0.00 -0.63 0.00 0.00 39.34 37.95 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 0.02 2.97 1.08 -1.95 0.22 117.51 119.86 1c15 h ILE 25 Ca 0.55 0.00 -0.24 0.00 -0.39 0.00 0.00 64.86 64.79 1c15 h ILE 25 Cb 1.55 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.31 1c15 h ILE 25 CO -0.44 0.00 -1.00 0.24 -0.69 0.00 0.00 178.15 176.26 1c15 h MET 26 N -0.40 0.41 0.27 2.37 2.86 -1.38 -3.16 114.93 115.90 1c15 h MET 26 Ca -0.03 -0.47 -0.01 0.00 -2.06 0.00 0.00 59.70 57.13 1c15 h MET 26 Cb 0.34 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1c15 h MET 26 CO -0.00 1.14 -0.13 0.22 1.06 0.00 0.00 176.91 179.19 1c15 h ASP 27 N 0.21 -0.31 -0.15 1.22 3.58 0.01 -1.97 116.42 119.02 1c15 h ASP 27 Ca -0.09 0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.41 1c15 h ASP 27 Cb 1.65 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.77 1c15 h ASP 27 CO 0.17 -0.21 0.11 -0.74 -2.88 0.00 0.00 179.24 175.69 1c15 h HIS 28 N -0.37 0.00 -0.29 0.28 2.76 -0.64 -1.92 115.15 114.97 1c15 h HIS 28 Ca -0.04 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.01 1c15 h HIS 28 Cb 0.28 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.24 1c15 h HIS 28 CO -0.06 0.00 -0.29 0.52 -1.30 0.00 0.00 177.93 176.80 1c15 h MET 29 N 0.00 0.71 -0.22 5.26 2.86 -1.36 -1.38 114.93 120.80 1c15 h MET 29 Ca 0.07 -0.38 0.05 0.00 -2.06 0.00 0.00 59.70 57.38 1c15 h MET 29 Cb 0.28 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.91 1c15 h MET 29 CO -0.00 0.99 -0.07 0.82 1.06 0.00 0.00 176.91 179.71 1c15 h ILE 30 N 0.46 0.74 0.00 -1.22 2.04 -0.63 -0.21 117.51 118.69 1c15 h ILE 30 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1c15 h ILE 30 Cb 0.86 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1c15 h ILE 30 CO 0.07 0.00 0.00 -1.20 0.00 0.00 0.00 178.15 177.02 1c15 n SER 31 N -5.23 0.77 0.07 1.72 7.64 -1.16 -2.64 113.62 114.80 1c15 n SER 31 Ca -0.02 0.63 0.13 0.00 1.01 0.00 0.00 58.87 60.63 1c15 n SER 31 Cb 0.15 -0.82 0.61 0.00 -1.01 0.00 0.00 64.21 63.14 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 0.13 0.00 6.43 1.82 0.15 -3.45 116.42 121.50 1c15 h ASP 32 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1c15 h ASP 32 Cb 0.54 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.52 1c15 h ASP 32 CO 0.00 0.08 0.00 0.61 -1.61 0.00 0.00 179.24 178.32 1c15 n GLY 33 N -1.57 0.63 0.16 -0.78 0.00 -1.19 -5.02 105.19 97.42 1c15 n GLY 33 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1c15 n GLY 33 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1c15 h PHE 34 N 0.00 -0.29 -3.67 1.61 0.04 -1.68 -3.44 116.94 109.51 1c15 h PHE 34 Ca 0.00 0.01 -0.34 0.00 2.80 0.00 0.00 57.97 60.44 1c15 h PHE 34 Cb 0.00 0.13 -0.18 0.00 2.20 0.00 0.00 35.95 38.10 1c15 h PHE 34 CO 0.00 -0.17 -0.74 -0.51 -0.60 0.00 0.00 178.31 176.29 1c15 s LEU 35 N -10.30 2.41 0.94 1.54 1.02 -1.08 -4.94 118.68 108.27 1c15 s LEU 35 Ca -0.14 -0.83 -0.11 0.00 0.02 0.00 0.00 54.13 53.07 1c15 s LEU 35 Cb 0.08 -0.36 0.12 0.00 0.02 0.00 0.00 46.19 46.04 1c15 s LEU 35 CO 0.66 -0.24 0.90 0.35 0.02 0.00 0.00 176.35 178.04 1c15 n THR 36 N 0.50 0.00 0.41 5.49 -2.24 -1.26 -4.26 114.28 112.92 1c15 n THR 36 Ca -0.16 -0.07 0.13 0.00 -2.27 0.00 0.00 64.05 61.68 1c15 n THR 36 Cb 0.58 -0.87 0.50 0.00 -2.10 0.00 0.00 70.33 68.43 1c15 n THR 36 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1c15 h ILE 37 N -1.81 0.00 -0.24 2.28 2.04 -1.93 -3.04 117.51 114.82 1c15 h ILE 37 Ca -0.44 -0.30 0.07 0.00 1.00 0.00 0.00 64.86 65.20 1c15 h ILE 37 Cb 1.28 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 1c15 h ILE 37 CO 0.39 0.00 0.24 0.28 0.00 0.00 0.00 178.15 179.06 1c15 h SER 38 N 0.00 0.00 -0.04 1.72 0.02 -1.98 -0.07 113.55 113.19 1c15 h SER 38 Ca 0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 1c15 h SER 38 Cb 0.43 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1c15 h SER 38 CO 0.00 0.00 -0.21 -0.08 -1.14 0.00 0.00 176.83 175.40 1c15 h GLU 39 N 0.00 0.43 -0.34 3.45 4.81 -1.89 -2.79 114.58 118.26 1c15 h GLU 39 Ca 0.11 -0.15 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 1c15 h GLU 39 Cb 0.60 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1c15 h GLU 39 CO -0.00 0.63 -0.30 1.49 -0.73 0.00 0.00 179.01 180.10 1c15 h GLU 40 N 0.39 0.71 -0.26 1.92 4.81 -1.23 -1.88 114.58 119.04 1c15 h GLU 40 Ca 0.06 -0.32 -0.06 0.00 -0.13 0.00 0.00 59.36 58.91 1c15 h GLU 40 Cb 0.59 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1c15 h GLU 40 CO 0.04 0.92 -0.12 1.49 -0.73 0.00 0.00 179.01 180.61 1c15 h GLU 41 N 0.61 0.43 0.19 1.92 4.81 -1.47 -2.03 114.58 119.05 1c15 h GLU 41 Ca 0.07 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1c15 h GLU 41 Cb 0.81 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1c15 h GLU 41 CO 0.07 0.55 -0.09 -0.22 -0.73 0.00 0.00 179.01 178.59 1c15 h LYS 42 N 0.40 -0.25 -1.10 1.92 3.64 -1.30 -3.29 116.57 116.60 1c15 h LYS 42 Ca 0.08 0.02 0.30 0.00 -1.27 0.00 0.00 60.65 59.78 1c15 h LYS 42 Cb 0.46 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.26 1c15 h LYS 42 CO 0.03 -0.17 0.74 0.28 -2.27 0.00 0.00 179.45 178.06 1c15 h VAL 43 N -1.01 0.47 -0.83 2.00 2.07 -1.39 0.70 116.25 118.25 1c15 h VAL 43 Ca -0.03 -0.07 0.19 0.00 0.82 0.00 0.00 66.70 67.61 1c15 h VAL 43 Cb 0.20 0.24 -0.15 0.00 -1.52 0.00 0.00 31.29 30.05 1c15 h VAL 43 CO 0.04 0.04 -0.10 -0.09 0.02 0.00 0.00 177.57 177.48 1c15 h ARG 44 N 0.21 0.03 0.00 1.57 2.43 -1.43 -3.30 114.38 113.89 1c15 h ARG 44 Ca 0.58 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.75 1c15 h ARG 44 Cb 1.84 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.38 1c15 h ARG 44 CO -0.18 0.02 -0.16 -1.71 -1.51 0.00 0.00 179.97 176.44 1c15 n ASN 45 N -5.47 0.00 -0.02 -3.80 2.85 -0.68 -4.91 115.26 103.23 1c15 n ASN 45 Ca 0.14 -1.32 -0.16 0.00 -0.11 0.00 0.00 54.58 53.13 1c15 n ASN 45 Cb 0.49 -0.06 -0.14 0.00 1.24 0.00 0.00 39.78 41.31 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 0.12 -7.52 1.20 4.57 0.30 -3.46 114.58 109.79 1c15 h GLU 46 Ca 0.00 -0.20 -0.46 0.00 -1.18 0.00 0.00 59.36 57.52 1c15 h GLU 46 Cb 1.13 0.08 0.13 0.00 -0.16 0.00 0.00 28.75 29.92 1c15 h GLU 46 CO 0.00 1.10 0.32 -1.25 -1.18 0.00 0.00 179.01 178.00 1c15 s PRO 47 N -2.30 1.26 0.00 0.92 0.04 -1.26 -5.01 135.00 128.65 1c15 s PRO 47 Ca -0.17 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.11 1c15 s PRO 47 Cb -0.01 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1c15 s PRO 47 CO 0.74 -2.10 0.00 2.41 0.04 0.00 0.00 177.00 178.09 1c15 n THR 48 N -3.69 0.00 -1.84 1.26 -1.04 -1.26 -4.98 114.28 102.73 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 0.60 -0.19 0.00 0.00 -1.82 0.00 0.00 70.33 68.91 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 -2.04 1.07 0.26 -2.82 1.13 -1.26 -4.92 117.38 108.80 1c15 n GLN 49 Ca 0.00 0.00 0.18 0.00 -1.94 0.00 0.00 57.00 55.24 1c15 n GLN 49 Cb 0.00 0.00 0.95 0.00 0.11 0.00 0.00 30.24 31.30 1c15 n GLN 49 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 1c15 h GLN 50 N 0.00 0.00 0.00 -1.09 7.50 -2.04 -2.07 115.11 117.41 1c15 h GLN 50 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1c15 h GLN 50 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 1c15 h GLN 50 CO 0.00 0.00 0.14 0.37 -1.50 0.00 0.00 178.83 177.84 1c15 h GLN 51 N 0.00 0.00 -0.03 1.46 4.15 -1.98 -2.96 115.11 115.75 1c15 h GLN 51 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.44 1c15 h GLN 51 Cb 0.01 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.65 1c15 h GLN 51 CO 0.00 0.00 -0.50 -0.09 -1.93 0.00 0.00 178.83 176.31 1c15 h ARG 52 N 0.00 -0.57 0.08 1.69 2.43 -1.73 0.38 114.38 116.65 1c15 h ARG 52 Ca 0.00 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1c15 h ARG 52 Cb 0.28 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1c15 h ARG 52 CO 0.00 -0.38 -0.04 0.00 -1.51 0.00 0.00 179.97 178.04 1c15 h ALA 53 N -0.48 -0.10 -1.18 2.80 0.00 -1.80 -2.48 119.26 116.01 1c15 h ALA 53 Ca 0.02 -0.29 0.34 0.00 0.00 0.00 0.00 54.91 54.98 1c15 h ALA 53 Cb 0.65 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.40 1c15 h ALA 53 CO -0.35 -0.20 0.79 0.00 0.00 0.00 0.00 179.25 179.49 1c15 h ALA 54 N -0.07 2.66 0.00 0.00 0.00 -1.50 0.92 119.26 121.27 1c15 h ALA 54 Ca -0.01 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1c15 h ALA 54 Cb 0.60 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1c15 h ALA 54 CO 0.02 -1.10 -0.80 1.98 0.00 0.00 0.00 179.25 179.35 1c15 h MET 55 N 0.20 0.00 0.14 0.00 -1.53 -0.25 -3.24 114.93 110.25 1c15 h MET 55 Ca 0.65 0.00 -0.29 0.00 -3.44 0.00 0.00 59.70 56.61 1c15 h MET 55 Cb 2.03 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 33.09 1c15 h MET 55 CO -0.23 0.47 -1.36 1.25 0.14 0.00 0.00 176.91 177.18 1c15 h LEU 56 N 0.00 0.45 -0.51 3.39 6.46 0.12 -3.19 115.31 122.03 1c15 h LEU 56 Ca -0.05 -0.53 -0.04 0.00 -0.12 0.00 0.00 57.88 57.14 1c15 h LEU 56 Cb 1.47 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 41.23 1c15 h LEU 56 CO 0.06 1.42 0.15 0.40 -0.62 0.00 0.00 178.44 179.85 1c15 h ILE 57 N 0.08 1.23 -0.84 4.05 1.08 -0.66 -2.78 117.51 119.68 1c15 h ILE 57 Ca -0.18 -0.80 -0.01 0.00 -0.39 0.00 0.00 64.86 63.48 1c15 h ILE 57 Cb 2.01 0.79 -0.04 0.00 -3.07 0.00 0.00 36.82 36.51 1c15 h ILE 57 CO 0.20 0.29 0.49 0.11 -0.69 0.00 0.00 178.15 178.55 1c15 h LYS 58 N 0.70 1.15 -0.59 2.37 1.57 -1.66 -1.94 116.57 118.16 1c15 h LYS 58 Ca 0.16 -0.11 0.10 0.00 -1.87 0.00 0.00 60.65 58.93 1c15 h LYS 58 Cb 0.29 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1c15 h LYS 58 CO -0.00 0.82 0.40 0.52 -0.57 0.00 0.00 179.45 180.61 1c15 h MET 59 N 1.16 0.36 0.36 3.15 2.86 -1.48 0.53 114.93 121.87 1c15 h MET 59 Ca 0.30 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.90 1c15 h MET 59 Cb -0.03 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.56 1c15 h MET 59 CO -0.05 0.24 -0.17 0.82 1.06 0.00 0.00 176.91 178.80 1c15 h ILE 60 N 0.37 0.66 0.00 -1.22 2.04 -1.22 -2.55 117.51 115.60 1c15 h ILE 60 Ca 0.27 -0.11 -0.18 0.00 1.00 0.00 0.00 64.86 65.84 1c15 h ILE 60 Cb 0.58 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1c15 h ILE 60 CO -0.07 0.02 -0.84 -0.07 0.00 0.00 0.00 178.15 177.19 1c15 h LEU 61 N -0.54 0.02 -2.33 1.44 -0.00 -1.42 -3.15 115.31 109.33 1c15 h LEU 61 Ca -0.05 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1c15 h LEU 61 Cb 0.40 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.06 1c15 h LEU 61 CO 0.08 0.85 -0.00 0.11 -0.00 0.00 0.00 178.44 179.48 1c15 h LYS 62 N 0.01 0.00 0.06 1.13 1.79 0.16 -3.16 116.57 116.55 1c15 h LYS 62 Ca -0.01 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1c15 h LYS 62 Cb 1.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.14 1c15 h LYS 62 CO 0.11 0.00 -0.03 -0.22 -1.08 0.00 0.00 179.45 178.24 1c15 h LYS 63 N 0.00 -0.07 -2.58 3.15 1.63 -1.41 -3.49 116.57 113.79 1c15 h LYS 63 Ca -0.00 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.77 1c15 h LYS 63 Cb 0.01 0.02 -0.15 0.00 -0.60 0.00 0.00 32.23 31.50 1c15 h LYS 63 CO 0.00 -0.05 0.20 0.34 -3.45 0.00 0.00 179.45 176.49 1c15 s ASP 64 N -4.14 -0.60 0.36 4.20 2.15 -1.19 -5.03 116.67 112.41 1c15 s ASP 64 Ca -0.01 0.30 0.19 0.00 0.43 0.00 0.00 52.55 53.46 1c15 s ASP 64 Cb 0.00 0.57 0.38 0.00 -0.30 0.00 0.00 42.92 43.58 1c15 s ASP 64 CO 0.03 -0.82 1.59 0.78 -0.17 0.00 0.00 175.17 176.59 1c15 h ASN 65 N 2.43 0.00 0.00 -0.34 4.21 -1.88 -3.17 115.58 116.83 1c15 h ASN 65 Ca -0.31 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.20 1c15 h ASN 65 Cb 1.24 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.44 1c15 h ASN 65 CO 0.38 0.34 -0.00 0.44 -1.29 0.00 0.00 177.43 177.30 1c15 h ASP 66 N 0.00 0.00 0.01 5.81 5.19 -1.96 -1.49 116.42 123.98 1c15 h ASP 66 Ca -0.00 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.29 1c15 h ASP 66 Cb 1.12 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.62 1c15 h ASP 66 CO 0.04 0.00 -0.37 -1.28 -3.12 0.00 0.00 179.24 174.52 1c15 h SER 67 N 0.00 0.50 -0.33 6.45 0.87 -1.88 -2.86 113.55 116.31 1c15 h SER 67 Ca -0.00 -0.21 -0.03 0.00 -1.23 0.00 0.00 61.79 60.32 1c15 h SER 67 Cb 0.01 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 1c15 h SER 67 CO 0.00 0.83 0.12 0.22 -0.53 0.00 0.00 176.83 177.47 1c15 h TYR 68 N 0.41 0.57 -0.70 2.24 3.20 -1.43 -2.10 116.97 119.16 1c15 h TYR 68 Ca 0.04 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 1c15 h TYR 68 Cb 0.84 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.90 1c15 h TYR 68 CO 0.03 0.48 0.23 0.28 -1.64 0.00 0.00 178.16 177.53 1c15 h VAL 69 N 0.56 1.25 -0.19 1.81 2.07 -1.45 -2.68 116.25 117.62 1c15 h VAL 69 Ca 0.13 -0.87 -0.13 0.00 0.82 0.00 0.00 66.70 66.66 1c15 h VAL 69 Cb 0.18 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1c15 h VAL 69 CO -0.01 0.34 -0.41 -1.28 0.02 0.00 0.00 177.57 176.23 1c15 h SER 70 N 1.02 0.48 -0.86 0.57 0.87 -1.42 -2.92 113.55 111.28 1c15 h SER 70 Ca 0.23 -0.21 0.17 0.00 -1.23 0.00 0.00 61.79 60.75 1c15 h SER 70 Cb 0.29 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 62.05 1c15 h SER 70 CO -0.01 0.84 0.57 0.15 -0.53 0.00 0.00 176.83 177.84 1c15 h PHE 71 N 0.37 0.61 -0.18 2.24 3.57 -1.04 0.42 116.94 122.94 1c15 h PHE 71 Ca 0.03 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.45 1c15 h PHE 71 Cb 0.88 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 1c15 h PHE 71 CO 0.03 0.20 -0.26 -0.92 -2.23 0.00 0.00 178.31 175.13 1c15 h TYR 72 N 0.49 0.61 0.00 0.41 3.20 -1.49 -2.77 116.97 117.42 1c15 h TYR 72 Ca 0.44 -0.20 -0.11 0.00 3.14 0.00 0.00 58.73 62.00 1c15 h TYR 72 Cb 0.96 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.09 1c15 h TYR 72 CO -0.00 0.90 -0.52 -0.97 -1.64 0.00 0.00 178.16 175.93 1c15 h ASN 73 N 0.14 0.00 -0.06 -2.11 -1.24 -1.22 -2.69 115.58 108.40 1c15 h ASN 73 Ca 0.02 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.01 1c15 h ASN 73 Cb 0.83 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.88 1c15 h ASN 73 CO 0.06 0.52 -0.02 0.00 -1.29 0.00 0.00 177.43 176.71 1c15 h ALA 74 N 1.48 0.08 -0.32 1.57 0.00 -0.18 -2.03 119.26 119.86 1c15 h ALA 74 Ca -0.01 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1c15 h ALA 74 Cb 1.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1c15 h ALA 74 CO 0.07 -0.20 -0.01 -0.07 0.00 0.00 0.00 179.25 179.03 1c15 h LEU 75 N -0.24 0.57 -1.11 0.00 3.38 -1.52 -2.46 115.31 113.94 1c15 h LEU 75 Ca 0.01 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1c15 h LEU 75 Cb 0.42 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1c15 h LEU 75 CO 0.01 0.75 0.00 -0.07 0.09 0.00 0.00 178.44 179.22 1c15 h LEU 76 N 0.38 0.00 -2.13 1.67 3.38 -1.50 -2.51 115.31 114.60 1c15 h LEU 76 Ca 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1c15 h LEU 76 Cb 0.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1c15 h LEU 76 CO 0.02 0.00 -0.07 -0.74 0.09 0.00 0.00 178.44 177.74 1c15 h HIS 77 N 0.00 0.00 0.00 1.13 2.76 -0.86 -3.39 115.15 114.80 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 0.20 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.16 1c15 h HIS 77 CO 0.00 0.07 0.00 0.39 -1.30 0.00 0.00 177.93 177.09 1c15 n GLU 78 N -3.64 0.00 -2.69 5.26 1.02 -0.95 -5.05 120.64 114.58 1c15 n GLU 78 Ca -0.02 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.06 1c15 n GLU 78 Cb 0.18 -0.09 0.08 0.00 -0.02 0.00 0.00 31.44 31.59 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 3.07 -0.97 0.11 0.62 0.00 -1.20 -5.00 105.19 101.83 1c15 n GLY 79 Ca 0.00 0.64 0.05 0.00 0.00 0.00 0.00 46.02 46.71 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 1.14 0.00 -0.54 1.61 4.01 -1.17 -4.80 117.16 117.41 1c15 n TYR 80 Ca 0.02 -0.61 0.44 0.00 -0.16 0.00 0.00 57.90 57.59 1c15 n TYR 80 Cb 0.70 -0.09 0.76 0.00 -0.31 0.00 0.00 39.34 40.40 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 0.00 0.03 -0.07 -0.72 3.64 -1.90 0.81 116.57 118.36 1c15 h LYS 81 Ca 0.00 -0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.18 1c15 h LYS 81 Cb 0.93 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.76 1c15 h LYS 81 CO 0.00 0.02 -0.72 -0.44 -2.27 0.00 0.00 179.45 176.04 1c15 h ASP 82 N 0.03 0.75 -0.09 4.20 5.19 -2.00 -2.25 116.42 122.24 1c15 h ASP 82 Ca 0.80 -0.69 -0.12 0.00 -0.62 0.00 0.00 57.03 56.40 1c15 h ASP 82 Cb 3.04 -0.22 0.01 0.00 0.18 0.00 0.00 39.33 42.34 1c15 h ASP 82 CO -0.09 1.33 -0.41 0.25 -3.12 0.00 0.00 179.24 177.19 1c15 h LEU 83 N 0.23 0.52 -1.53 1.55 7.12 0.08 -3.16 115.31 120.12 1c15 h LEU 83 Ca -0.07 -0.64 -0.01 0.00 0.13 0.00 0.00 57.88 57.29 1c15 h LEU 83 Cb 1.38 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 41.34 1c15 h LEU 83 CO 0.14 1.07 0.14 0.00 -0.13 0.00 0.00 178.44 179.67 1c15 h ALA 84 N 0.46 1.64 -0.55 1.25 0.00 -0.62 -1.93 119.26 119.51 1c15 h ALA 84 Ca -0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1c15 h ALA 84 Cb 1.06 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1c15 h ALA 84 CO 0.09 0.29 0.22 0.00 0.00 0.00 0.00 179.25 179.85 1c15 h ALA 85 N 1.70 1.35 0.70 0.00 0.00 -1.37 0.26 119.26 121.92 1c15 h ALA 85 Ca 0.12 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1c15 h ALA 85 Cb 0.08 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.65 1c15 h ALA 85 CO -0.01 0.49 -0.34 1.25 0.00 0.00 0.00 179.25 180.63 1c15 h LEU 86 N 0.79 -0.80 -0.70 0.00 6.46 -1.32 0.37 115.31 120.10 1c15 h LEU 86 Ca 0.19 0.03 -0.13 0.00 -0.12 0.00 0.00 57.88 57.85 1c15 h LEU 86 Cb 0.16 0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 1c15 h LEU 86 CO -0.02 -0.57 -0.39 -0.07 -0.62 0.00 0.00 178.44 176.78 1c15 h LEU 87 N -0.95 0.58 -1.09 2.25 4.07 -1.52 -2.99 115.31 115.66 1c15 h LEU 87 Ca -0.10 -0.25 -0.03 0.00 0.08 0.00 0.00 57.88 57.59 1c15 h LEU 87 Cb 0.73 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.27 1c15 h LEU 87 CO 0.16 0.91 0.31 -0.74 -1.08 0.00 0.00 178.44 177.99 1c15 h HIS 88 N 0.46 0.94 0.00 1.13 2.76 -0.33 -1.19 115.15 118.92 1c15 h HIS 88 Ca 0.04 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1c15 h HIS 88 Cb 0.88 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.54 1c15 h HIS 88 CO 0.03 0.69 0.00 -0.44 -1.30 0.00 0.00 177.93 176.92 1c15 h ASP 89 N 0.94 0.00 -0.02 3.26 3.32 -0.76 -1.87 116.42 121.29 1c15 h ASP 89 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1c15 h ASP 89 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1c15 h ASP 89 CO -0.03 0.00 -0.18 0.61 -1.72 0.00 0.00 179.24 177.92 1c15 n GLY 90 N -0.47 0.38 0.16 2.75 0.00 -0.49 -4.45 105.19 103.06 1c15 n GLY 90 Ca -0.00 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 1c15 n GLY 90 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1c15 h ILE 91 N 3.24 0.67 0.00 -0.61 2.04 -0.83 -3.35 117.51 118.66 1c15 h ILE 91 Ca 0.00 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.89 1c15 h ILE 91 Cb 0.78 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 1c15 h ILE 91 CO 0.00 0.17 0.00 -0.81 0.00 0.00 0.00 178.15 177.51 1c15 n PRO 92 N -4.99 0.00 -3.75 2.37 -0.04 -1.26 -3.30 135.00 124.04 1c15 n PRO 92 Ca -0.08 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.25 1c15 n PRO 92 Cb 0.25 -0.24 -0.09 0.00 -0.04 0.00 0.00 33.50 33.38 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 -0.02 0.03 0.27 0.52 1.01 -1.26 -4.69 120.40 116.26 1c15 s VAL 93 Ca 0.00 -0.28 0.06 0.00 0.00 0.00 0.00 61.98 61.76 1c15 s VAL 93 Cb 0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.78 1c15 s VAL 93 CO 0.00 -0.15 1.63 0.58 0.00 0.00 0.00 175.10 177.15 1c15 h VAL 94 N 4.09 1.36 0.00 2.92 2.07 -1.89 -2.87 116.25 121.94 1c15 h VAL 94 Ca -0.28 -1.79 -0.08 0.00 0.82 0.00 0.00 66.70 65.37 1c15 h VAL 94 Cb 1.18 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 1c15 h VAL 94 CO 0.35 0.53 -0.37 -1.28 0.02 0.00 0.00 177.57 176.83 1c15 h SER 95 N 0.17 0.00 0.25 0.57 0.87 -1.96 -3.30 113.55 110.15 1c15 h SER 95 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1c15 h SER 95 Cb 0.98 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1c15 h SER 95 CO 0.08 0.37 -0.12 0.28 -0.53 0.00 0.00 176.83 176.91 1c15 h SER 96 N 0.00 -0.28 0.00 6.23 0.02 -1.91 -3.56 113.55 114.05 1c15 h SER 96 Ca -0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1c15 h SER 96 Cb 0.79 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1c15 h SER 96 CO 0.05 -0.11 0.00 -1.54 -1.14 0.00 0.00 176.83 174.09