#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 0.46 0.36 6.12 1.47 -1.26 -5.03 116.67 118.79 1c15 s ASP 2 Ca 0.00 -0.51 0.19 0.00 1.18 0.00 0.00 52.55 53.41 1c15 s ASP 2 Cb 0.00 0.07 0.50 0.00 -0.34 0.00 0.00 42.92 43.15 1c15 s ASP 2 CO 0.00 -0.26 1.64 0.00 0.68 0.00 0.00 175.17 177.23 1c15 h ALA 3 N 4.62 0.87 -1.00 2.11 0.00 -1.99 -3.24 119.26 120.63 1c15 h ALA 3 Ca -0.33 -0.32 0.20 0.00 0.00 0.00 0.00 54.91 54.45 1c15 h ALA 3 Cb 1.21 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 1c15 h ALA 3 CO 0.41 0.45 0.61 -0.22 0.00 0.00 0.00 179.25 180.50 1c15 h LYS 4 N 0.00 0.67 -0.66 0.00 3.64 -1.91 0.17 116.57 118.49 1c15 h LYS 4 Ca -0.00 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 1c15 h LYS 4 Cb 1.05 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.69 1c15 h LYS 4 CO 0.05 0.45 0.20 0.00 -2.27 0.00 0.00 179.45 177.87 1c15 h ALA 5 N 1.64 0.86 -0.03 5.00 0.00 -1.56 -2.35 119.26 122.82 1c15 h ALA 5 Ca 0.57 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 1c15 h ALA 5 Cb 0.98 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1c15 h ALA 5 CO -0.36 0.54 -0.35 -0.09 0.00 0.00 0.00 179.25 178.99 1c15 h ARG 6 N 0.96 0.07 0.00 0.00 2.43 -1.18 -2.51 114.38 114.15 1c15 h ARG 6 Ca 0.21 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.26 1c15 h ARG 6 Cb 0.31 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1c15 h ARG 6 CO -0.01 0.42 -0.45 -0.91 -1.51 0.00 0.00 179.97 177.51 1c15 h ASN 7 N 0.06 0.00 0.56 -3.80 2.35 -0.84 -2.67 115.58 111.23 1c15 h ASN 7 Ca 0.01 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1c15 h ASN 7 Cb 0.66 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.03 1c15 h ASN 7 CO 0.05 0.45 -0.27 0.00 -1.65 0.00 0.00 177.43 176.01 1c15 h LEU 9 N -0.91 0.54 -1.13 0.00 7.12 -1.59 -1.78 115.31 117.56 1c15 h LEU 9 Ca -0.08 -0.06 -0.07 0.00 0.13 0.00 0.00 57.88 57.80 1c15 h LEU 9 Cb 0.63 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.61 1c15 h LEU 9 CO 0.13 0.50 -0.17 -0.07 -0.13 0.00 0.00 178.44 178.70 1c15 h LEU 10 N 0.60 0.39 -2.71 2.25 3.38 -1.29 -2.17 115.31 115.76 1c15 h LEU 10 Ca 0.15 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1c15 h LEU 10 Cb 0.13 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1c15 h LEU 10 CO -0.01 0.59 0.00 1.67 0.09 0.00 0.00 178.44 180.77 1c15 n GLN 11 N -4.19 3.60 -0.99 1.13 7.27 -0.22 -4.16 117.38 119.82 1c15 n GLN 11 Ca -0.00 -2.19 -0.09 0.00 0.07 0.00 0.00 57.00 54.79 1c15 n GLN 11 Cb 0.33 -1.98 0.25 0.00 2.41 0.00 0.00 30.24 31.26 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 0.51 2.25 -0.04 3.69 -0.00 -0.82 -4.55 115.22 116.26 1c15 n HIS 12 Ca 0.19 -1.41 -0.13 0.00 0.46 0.00 0.00 57.72 56.83 1c15 n HIS 12 Cb 0.87 -0.69 -0.11 0.00 -0.12 0.00 0.00 29.99 29.94 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 1.88 -0.02 -0.45 1.57 2.43 -1.77 -1.59 114.38 116.43 1c15 h ARG 13 Ca 0.33 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.53 1c15 h ARG 13 Cb 2.28 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.81 1c15 h ARG 13 CO 0.73 0.71 0.30 1.49 -1.51 0.00 0.00 179.97 181.69 1c15 h GLU 14 N -0.77 0.48 0.00 0.20 4.81 -1.94 -1.34 114.58 116.02 1c15 h GLU 14 Ca -0.00 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 1c15 h GLU 14 Cb 0.73 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 30.01 1c15 h GLU 14 CO 0.00 0.32 -0.32 0.00 -0.73 0.00 0.00 179.01 178.27 1c15 h ALA 15 N 1.74 0.03 -0.87 2.92 0.00 -1.86 -3.22 119.26 118.01 1c15 h ALA 15 Ca 0.18 -0.49 0.06 0.00 0.00 0.00 0.00 54.91 54.65 1c15 h ALA 15 Cb 0.11 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1c15 h ALA 15 CO -0.04 0.14 0.55 1.25 0.00 0.00 0.00 179.25 181.14 1c15 h LEU 16 N -0.44 0.87 -0.59 0.00 7.12 -0.93 0.64 115.31 121.97 1c15 h LEU 16 Ca -0.04 0.01 0.07 0.00 0.13 0.00 0.00 57.88 58.05 1c15 h LEU 16 Cb 1.08 -0.17 -0.06 0.00 -0.53 0.00 0.00 40.66 40.98 1c15 h LEU 16 CO 0.06 0.56 0.26 -0.08 -0.13 0.00 0.00 178.44 179.12 1c15 h GLU 17 N 1.01 0.47 0.00 1.25 4.81 -1.32 -0.21 114.58 120.59 1c15 h GLU 17 Ca 0.37 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.49 1c15 h GLU 17 Cb 0.14 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1c15 h GLU 17 CO -0.16 0.31 -0.81 -0.22 -0.73 0.00 0.00 179.01 177.40 1c15 h LYS 18 N 0.48 0.00 0.14 1.92 3.64 -1.40 -3.39 116.57 117.96 1c15 h LYS 18 Ca 0.28 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 1c15 h LYS 18 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1c15 h LYS 18 CO -0.24 0.25 -0.07 -0.44 -2.27 0.00 0.00 179.45 176.68 1c15 h ASP 19 N 0.00 -0.16 -4.21 4.20 5.19 0.97 -3.48 116.42 118.93 1c15 h ASP 19 Ca -0.05 0.01 -0.15 0.00 -0.62 0.00 0.00 57.03 56.21 1c15 h ASP 19 Cb 1.31 0.04 -0.24 0.00 0.18 0.00 0.00 39.33 40.62 1c15 h ASP 19 CO 0.04 0.05 -0.42 -0.63 -3.12 0.00 0.00 179.24 175.16 1c15 s ILE 20 N -2.19 0.02 0.02 0.35 1.01 -0.16 -5.06 121.20 115.20 1c15 s ILE 20 Ca -0.03 -0.20 -0.11 0.00 0.00 0.00 0.00 60.65 60.31 1c15 s ILE 20 Cb 0.00 -0.41 -0.05 0.00 0.01 0.00 0.00 42.46 42.01 1c15 s ILE 20 CO 0.08 -0.11 0.36 -0.54 0.00 0.00 0.00 174.94 174.74 1c15 s LYS 21 N -0.37 3.77 -0.17 2.79 1.02 -1.26 -4.46 119.74 121.05 1c15 s LYS 21 Ca -0.05 0.21 -0.04 0.00 0.02 0.00 0.00 55.97 56.11 1c15 s LYS 21 Cb -0.03 -3.11 -0.04 0.00 -0.52 0.00 0.00 37.83 34.12 1c15 s LYS 21 CO 0.01 0.64 0.45 0.25 -0.92 0.00 0.00 175.35 175.78 1c15 n THR 22 N 1.39 0.00 -3.96 2.17 -2.24 -1.26 -4.80 114.28 105.58 1c15 n THR 22 Ca -0.12 -0.02 -0.10 0.00 -2.27 0.00 0.00 64.05 61.54 1c15 n THR 22 Cb 0.53 -0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.66 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 1.62 -0.74 -0.26 3.42 2.88 -1.26 -4.92 113.62 114.36 1c15 n SER 23 Ca 0.12 -2.23 0.24 0.00 -1.33 0.00 0.00 58.87 55.66 1c15 n SER 23 Cb 0.01 1.45 0.42 0.00 -0.75 0.00 0.00 64.21 65.34 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 -0.37 0.61 0.19 0.66 9.36 -1.26 0.78 117.16 127.13 1c15 n TYR 24 Ca 0.02 0.62 -0.09 0.00 3.32 0.00 0.00 57.90 61.77 1c15 n TYR 24 Cb 0.37 -1.03 -0.04 0.00 -0.63 0.00 0.00 39.34 38.00 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 0.00 2.97 1.08 -1.95 0.40 117.51 120.01 1c15 h ILE 25 Ca 0.57 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.96 1c15 h ILE 25 Cb 1.69 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.43 1c15 h ILE 25 CO -0.41 0.00 -0.41 0.24 -0.69 0.00 0.00 178.15 176.88 1c15 h MET 26 N -0.53 0.00 0.20 2.37 2.86 -1.24 -3.16 114.93 115.43 1c15 h MET 26 Ca -0.05 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1c15 h MET 26 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1c15 h MET 26 CO 0.04 0.41 -0.10 0.22 1.06 0.00 0.00 176.91 178.54 1c15 h ASP 27 N 0.00 -0.23 -0.57 1.22 3.58 0.47 -3.06 116.42 117.83 1c15 h ASP 27 Ca -0.00 -0.30 0.11 0.00 0.42 0.00 0.00 57.03 57.26 1c15 h ASP 27 Cb 1.11 0.06 -0.03 0.00 1.72 0.00 0.00 39.33 42.18 1c15 h ASP 27 CO 0.05 0.27 0.39 -0.74 -2.88 0.00 0.00 179.24 176.33 1c15 h HIS 28 N -0.83 0.31 -0.48 0.28 2.76 -0.29 -1.45 115.15 115.44 1c15 h HIS 28 Ca -0.03 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.13 1c15 h HIS 28 Cb 0.52 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.35 1c15 h HIS 28 CO 0.07 0.14 0.23 0.52 -1.30 0.00 0.00 177.93 177.59 1c15 h MET 29 N 0.29 0.70 -0.72 5.26 2.86 -1.53 0.56 114.93 122.35 1c15 h MET 29 Ca 0.27 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.75 1c15 h MET 29 Cb 0.67 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 1c15 h MET 29 CO -0.06 0.59 0.24 0.82 1.06 0.00 0.00 176.91 179.56 1c15 h ILE 30 N 0.64 1.26 0.00 -1.22 2.04 -1.17 -2.68 117.51 116.38 1c15 h ILE 30 Ca 0.17 -0.87 -0.10 0.00 1.00 0.00 0.00 64.86 65.05 1c15 h ILE 30 Cb 0.13 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1c15 h ILE 30 CO -0.02 0.34 -0.50 0.28 0.00 0.00 0.00 178.15 178.25 1c15 h SER 31 N 1.05 0.00 -0.01 1.72 0.02 -1.22 -2.85 113.55 112.26 1c15 h SER 31 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1c15 h SER 31 Cb 0.28 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 1c15 h SER 31 CO -0.01 0.50 0.05 -0.78 -1.14 0.00 0.00 176.83 175.45 1c15 h ASP 32 N 0.00 0.00 0.00 3.07 3.58 0.46 -3.44 116.42 120.09 1c15 h ASP 32 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1c15 h ASP 32 Cb 1.36 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.41 1c15 h ASP 32 CO 0.06 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.03 1c15 n GLY 33 N -1.13 0.67 0.17 -0.78 0.00 -1.21 -5.04 105.19 97.86 1c15 n GLY 33 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.49 -2.97 1.61 -1.00 -1.55 -3.45 116.94 109.09 1c15 h PHE 34 Ca 0.00 0.01 -0.44 0.00 2.81 0.00 0.00 57.97 60.35 1c15 h PHE 34 Cb 0.00 0.20 -0.14 0.00 3.61 0.00 0.00 35.95 39.62 1c15 h PHE 34 CO 0.00 -0.23 -0.67 -0.51 -1.61 0.00 0.00 178.31 175.30 1c15 s LEU 35 N -6.47 2.35 0.76 1.54 1.02 -1.08 -4.97 118.68 111.82 1c15 s LEU 35 Ca -0.06 -1.20 -0.15 0.00 0.02 0.00 0.00 54.13 52.73 1c15 s LEU 35 Cb 0.02 -0.46 0.02 0.00 0.02 0.00 0.00 46.19 45.79 1c15 s LEU 35 CO 0.21 -0.43 0.93 0.35 0.02 0.00 0.00 176.35 177.43 1c15 n THR 36 N -0.50 2.29 0.18 5.49 -2.24 -1.26 -4.37 114.28 113.86 1c15 n THR 36 Ca -0.05 -0.32 0.07 0.00 -2.27 0.00 0.00 64.05 61.47 1c15 n THR 36 Cb 0.64 -1.04 0.20 0.00 -2.10 0.00 0.00 70.33 68.02 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 -0.52 0.59 -0.53 2.28 5.03 -1.95 -3.21 117.51 119.20 1c15 h ILE 37 Ca -0.47 -1.62 -0.06 0.00 -0.12 0.00 0.00 64.86 62.59 1c15 h ILE 37 Cb 1.32 2.12 -0.02 0.00 -3.03 0.00 0.00 36.82 37.21 1c15 h ILE 37 CO 0.45 0.31 0.07 0.28 -0.68 0.00 0.00 178.15 178.58 1c15 h SER 38 N 0.00 0.80 0.58 1.72 0.02 -1.98 -2.19 113.55 112.50 1c15 h SER 38 Ca -0.00 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 60.73 1c15 h SER 38 Cb 1.10 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 1c15 h SER 38 CO 0.04 0.83 -0.23 -0.08 -1.14 0.00 0.00 176.83 176.25 1c15 h GLU 39 N 0.80 0.00 -0.01 3.45 4.81 -1.93 -2.74 114.58 118.96 1c15 h GLU 39 Ca 0.16 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.22 1c15 h GLU 39 Cb 0.39 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1c15 h GLU 39 CO 0.01 0.23 -0.78 1.49 -0.73 0.00 0.00 179.01 179.22 1c15 h GLU 40 N 0.00 0.14 -0.12 1.92 4.81 -1.50 -3.15 114.58 116.67 1c15 h GLU 40 Ca -0.00 -0.14 -0.09 0.00 -0.13 0.00 0.00 59.36 59.00 1c15 h GLU 40 Cb 0.58 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1c15 h GLU 40 CO 0.03 0.85 -0.33 1.49 -0.73 0.00 0.00 179.01 180.32 1c15 h GLU 41 N 0.09 0.25 -0.42 1.92 4.81 -1.28 -2.96 114.58 116.98 1c15 h GLU 41 Ca -0.03 -0.10 -0.15 0.00 -0.13 0.00 0.00 59.36 58.95 1c15 h GLU 41 Cb 1.37 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.73 1c15 h GLU 41 CO 0.11 0.56 -0.32 -0.22 -0.73 0.00 0.00 179.01 178.41 1c15 h LYS 42 N 0.22 0.96 -0.47 1.92 3.64 -1.53 -2.97 116.57 118.34 1c15 h LYS 42 Ca 0.03 -0.47 0.02 0.00 -1.27 0.00 0.00 60.65 58.95 1c15 h LYS 42 Cb 0.70 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 1c15 h LYS 42 CO 0.05 1.14 0.32 0.28 -2.27 0.00 0.00 179.45 178.97 1c15 h VAL 43 N 0.80 1.08 -1.09 2.00 2.07 -1.50 0.64 116.25 120.24 1c15 h VAL 43 Ca 0.08 -0.20 0.31 0.00 0.82 0.00 0.00 66.70 67.71 1c15 h VAL 43 Cb 0.92 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 1c15 h VAL 43 CO 0.09 0.11 0.77 -0.09 0.02 0.00 0.00 177.57 178.46 1c15 h ARG 44 N 0.58 0.05 0.00 1.57 2.43 -1.45 -2.98 114.38 114.58 1c15 h ARG 44 Ca 0.18 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1c15 h ARG 44 Cb 0.03 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1c15 h ARG 44 CO -0.04 0.03 -0.38 0.09 -1.51 0.00 0.00 179.97 178.15 1c15 n ASN 45 N -4.26 0.01 -0.05 -3.80 4.13 -0.80 -4.93 115.26 105.56 1c15 n ASN 45 Ca 0.23 -1.75 -0.04 0.00 1.68 0.00 0.00 54.58 54.71 1c15 n ASN 45 Cb 1.12 -0.15 -0.04 0.00 -1.54 0.00 0.00 39.78 39.18 1c15 n ASN 45 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1c15 h GLU 46 N 0.02 -0.00 -7.44 3.52 4.81 0.43 -3.47 114.58 112.45 1c15 h GLU 46 Ca -0.01 0.00 -0.45 0.00 -0.13 0.00 0.00 59.36 58.77 1c15 h GLU 46 Cb 1.31 0.00 0.14 0.00 0.63 0.00 0.00 28.75 30.83 1c15 h GLU 46 CO -0.00 0.27 0.25 -1.25 -0.73 0.00 0.00 179.01 177.56 1c15 s PRO 47 N -1.75 0.77 0.00 0.92 0.04 -1.26 -5.02 135.00 128.70 1c15 s PRO 47 Ca -0.05 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.33 1c15 s PRO 47 Cb -0.01 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1c15 s PRO 47 CO 0.19 -2.46 0.00 2.41 0.04 0.00 0.00 177.00 177.18 1c15 n THR 48 N -3.96 0.00 -1.02 1.26 -1.04 -1.26 -4.96 114.28 103.30 1c15 n THR 48 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1c15 n THR 48 Cb 0.59 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 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 -2.09 1.45 0.00 -2.82 1.13 -1.26 -4.92 117.38 108.88 1c15 n GLN 49 Ca 0.00 0.00 0.08 0.00 -1.94 0.00 0.00 57.00 55.14 1c15 n GLN 49 Cb 0.22 0.00 0.37 0.00 0.11 0.00 0.00 30.24 30.94 1c15 n GLN 49 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1c15 n GLN 50 N -0.24 0.05 0.25 -1.09 3.00 -1.26 -2.99 117.38 115.10 1c15 n GLN 50 Ca 0.00 0.20 0.17 0.00 -0.01 0.00 0.00 57.00 57.36 1c15 n GLN 50 Cb 0.00 -1.50 0.92 0.00 0.00 0.00 0.00 30.24 29.66 1c15 n GLN 50 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 1c15 h GLN 51 N 0.00 0.00 -0.48 -1.09 4.15 -1.99 -2.90 115.11 112.80 1c15 h GLN 51 Ca 0.00 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.52 1c15 h GLN 51 Cb 0.26 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 27.87 1c15 h GLN 51 CO 0.00 0.00 -0.08 -0.09 -1.93 0.00 0.00 178.83 176.73 1c15 h ARG 52 N 0.00 0.03 0.51 1.69 2.43 -1.91 0.31 114.38 117.45 1c15 h ARG 52 Ca 0.00 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1c15 h ARG 52 Cb 0.01 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1c15 h ARG 52 CO 0.00 0.02 -0.24 0.00 -1.51 0.00 0.00 179.97 178.24 1c15 h ALA 53 N 1.46 -0.80 -1.01 2.80 0.00 -1.81 -2.39 119.26 117.51 1c15 h ALA 53 Ca 0.23 -0.15 0.24 0.00 0.00 0.00 0.00 54.91 55.24 1c15 h ALA 53 Cb 0.36 0.26 -0.12 0.00 0.00 0.00 0.00 17.79 18.29 1c15 h ALA 53 CO -0.46 -0.75 0.61 0.00 0.00 0.00 0.00 179.25 178.65 1c15 h ALA 54 N -1.37 1.83 -0.32 0.00 0.00 -1.66 -0.23 119.26 117.51 1c15 h ALA 54 Ca -0.07 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1c15 h ALA 54 Cb 0.52 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1c15 h ALA 54 CO 0.11 -0.28 0.04 1.98 0.00 0.00 0.00 179.25 181.11 1c15 h MET 55 N 0.58 0.54 -0.53 0.00 -1.53 -0.38 -2.88 114.93 110.73 1c15 h MET 55 Ca 0.63 -0.15 0.02 0.00 -3.44 0.00 0.00 59.70 56.77 1c15 h MET 55 Cb 1.22 -0.06 -0.03 0.00 -0.55 0.00 0.00 31.60 32.18 1c15 h MET 55 CO -0.45 0.63 0.35 1.25 0.14 0.00 0.00 176.91 178.84 1c15 h LEU 56 N 0.36 0.55 -1.30 3.39 5.85 -0.51 -1.91 115.31 121.74 1c15 h LEU 56 Ca 0.10 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1c15 h LEU 56 Cb 0.36 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1c15 h LEU 56 CO 0.01 0.38 0.31 0.40 -0.34 0.00 0.00 178.44 179.20 1c15 h ILE 57 N 0.64 1.18 -0.39 4.05 1.08 -1.20 -2.59 117.51 120.28 1c15 h ILE 57 Ca 0.21 -0.45 -0.01 0.00 -0.39 0.00 0.00 64.86 64.22 1c15 h ILE 57 Cb 0.04 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 34.18 1c15 h ILE 57 CO -0.05 0.20 0.20 0.50 -0.69 0.00 0.00 178.15 178.31 1c15 h LYS 58 N 0.79 0.56 -0.50 2.37 3.64 -1.33 -2.01 116.57 120.10 1c15 h LYS 58 Ca 0.20 -0.08 0.14 0.00 -1.27 0.00 0.00 60.65 59.65 1c15 h LYS 58 Cb 0.03 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1c15 h LYS 58 CO -0.03 0.48 0.39 0.52 -2.27 0.00 0.00 179.45 178.53 1c15 h MET 59 N 0.50 0.00 0.34 1.90 2.86 -1.45 0.89 114.93 119.97 1c15 h MET 59 Ca 0.14 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 1c15 h MET 59 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1c15 h MET 59 CO -0.02 0.00 -0.16 0.82 1.06 0.00 0.00 176.91 178.61 1c15 h ILE 60 N 0.00 0.65 0.01 -1.22 2.04 -1.31 -3.00 117.51 114.68 1c15 h ILE 60 Ca 0.24 -0.50 -0.21 0.00 1.00 0.00 0.00 64.86 65.39 1c15 h ILE 60 Cb 1.01 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 1c15 h ILE 60 CO -0.00 0.09 -0.98 -0.07 0.00 0.00 0.00 178.15 177.19 1c15 h LEU 61 N -0.75 0.03 -2.42 1.44 -0.00 -1.33 -3.23 115.31 109.04 1c15 h LEU 61 Ca -0.05 -0.03 0.02 0.00 -0.00 0.00 0.00 57.88 57.82 1c15 h LEU 61 Cb 0.50 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.15 1c15 h LEU 61 CO 0.08 0.99 0.06 0.11 -0.00 0.00 0.00 178.44 179.68 1c15 h LYS 62 N 0.01 0.00 0.18 1.13 1.79 0.74 -3.10 116.57 117.32 1c15 h LYS 62 Ca -0.02 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 1c15 h LYS 62 Cb 1.72 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.38 1c15 h LYS 62 CO 0.13 0.00 -0.09 -0.22 -1.08 0.00 0.00 179.45 178.19 1c15 h LYS 63 N 0.00 -0.23 -2.98 3.15 3.64 -1.54 -3.50 116.57 115.12 1c15 h LYS 63 Ca 0.02 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.49 1c15 h LYS 63 Cb 0.15 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.97 1c15 h LYS 63 CO -0.00 -0.15 0.24 0.34 -2.27 0.00 0.00 179.45 177.61 1c15 s ASP 64 N -3.73 -0.25 0.22 4.20 -1.08 -1.17 -5.04 116.67 109.81 1c15 s ASP 64 Ca -0.03 -0.61 0.09 0.00 -0.52 0.00 0.00 52.55 51.48 1c15 s ASP 64 Cb 0.00 0.72 0.14 0.00 -1.46 0.00 0.00 42.92 42.32 1c15 s ASP 64 CO 0.10 -1.34 1.48 0.78 0.52 0.00 0.00 175.17 176.72 1c15 h ASN 65 N 2.00 0.00 -0.22 -0.34 4.21 -1.92 -3.16 115.58 116.16 1c15 h ASN 65 Ca -0.19 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.28 1c15 h ASN 65 Cb 1.25 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.43 1c15 h ASN 65 CO 0.23 0.76 0.05 0.44 -1.29 0.00 0.00 177.43 177.62 1c15 h ASP 66 N 0.00 0.42 0.01 5.81 3.32 -1.96 -1.75 116.42 122.27 1c15 h ASP 66 Ca -0.01 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 1c15 h ASP 66 Cb 1.36 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 1c15 h ASP 66 CO 0.10 0.45 -0.01 -1.28 -1.72 0.00 0.00 179.24 176.78 1c15 h SER 67 N 0.45 0.00 0.19 6.45 0.87 -1.84 -1.69 113.55 117.97 1c15 h SER 67 Ca 0.10 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.42 1c15 h SER 67 Cb 0.22 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1c15 h SER 67 CO 0.00 0.01 -0.98 0.22 -0.53 0.00 0.00 176.83 175.54 1c15 h TYR 68 N 0.00 0.80 -0.24 2.24 3.20 -1.46 -2.68 116.97 118.83 1c15 h TYR 68 Ca -0.00 -0.44 -0.15 0.00 3.14 0.00 0.00 58.73 61.28 1c15 h TYR 68 Cb 0.02 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 1c15 h TYR 68 CO 0.00 1.26 -0.48 0.28 -1.64 0.00 0.00 178.16 177.58 1c15 h VAL 69 N 0.31 1.30 -0.33 1.81 2.07 -1.31 -3.12 116.25 116.97 1c15 h VAL 69 Ca -0.10 -1.69 -0.14 0.00 0.82 0.00 0.00 66.70 65.60 1c15 h VAL 69 Cb 1.63 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 1c15 h VAL 69 CO 0.18 0.54 -0.34 -1.28 0.02 0.00 0.00 177.57 176.69 1c15 h SER 70 N 0.51 0.78 -0.95 0.57 0.87 -1.41 -3.01 113.55 110.92 1c15 h SER 70 Ca 0.03 -0.33 0.11 0.00 -1.23 0.00 0.00 61.79 60.36 1c15 h SER 70 Cb 1.03 -0.22 -0.08 0.00 -0.44 0.00 0.00 62.40 62.69 1c15 h SER 70 CO 0.10 1.05 0.58 0.15 -0.53 0.00 0.00 176.83 178.18 1c15 h PHE 71 N 0.63 1.06 -0.81 2.24 3.57 -1.41 0.15 116.94 122.36 1c15 h PHE 71 Ca 0.06 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 1c15 h PHE 71 Cb 0.88 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 1c15 h PHE 71 CO 0.05 0.43 0.43 -0.92 -2.23 0.00 0.00 178.31 176.06 1c15 h TYR 72 N 0.95 1.12 0.00 0.41 3.20 -1.53 -2.05 116.97 119.06 1c15 h TYR 72 Ca 0.46 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.23 1c15 h TYR 72 Cb 0.42 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 1c15 h TYR 72 CO -0.02 0.78 -0.35 -0.97 -1.64 0.00 0.00 178.16 175.96 1c15 h ASN 73 N 1.13 0.00 -0.32 -2.11 -1.24 -1.12 -3.00 115.58 108.92 1c15 h ASN 73 Ca 0.28 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 57.16 1c15 h ASN 73 Cb 0.05 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 1c15 h ASN 73 CO -0.04 0.35 -0.27 0.00 -1.29 0.00 0.00 177.43 176.17 1c15 h ALA 74 N 1.65 0.79 0.09 1.57 0.00 -0.07 -2.78 119.26 120.50 1c15 h ALA 74 Ca -0.00 -0.40 -0.27 0.00 0.00 0.00 0.00 54.91 54.24 1c15 h ALA 74 Cb 1.18 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.84 1c15 h ALA 74 CO 0.05 0.65 -1.15 -0.07 0.00 0.00 0.00 179.25 178.72 1c15 h LEU 75 N 0.70 0.65 -1.07 0.00 3.38 -1.52 -3.14 115.31 114.32 1c15 h LEU 75 Ca 0.09 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1c15 h LEU 75 Cb 0.81 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1c15 h LEU 75 CO 0.07 1.43 0.00 -0.07 0.09 0.00 0.00 178.44 179.95 1c15 h LEU 76 N 0.21 0.00 -1.50 1.67 3.38 -1.49 -2.62 115.31 114.96 1c15 h LEU 76 Ca -0.14 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1c15 h LEU 76 Cb 1.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.57 1c15 h LEU 76 CO 0.21 0.00 -0.08 -0.74 0.09 0.00 0.00 178.44 177.91 1c15 h HIS 77 N 0.00 0.23 0.00 1.13 2.76 -1.44 -3.38 115.15 114.44 1c15 h HIS 77 Ca 0.00 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1c15 h HIS 77 Cb 0.22 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.11 1c15 h HIS 77 CO 0.00 0.31 0.00 0.39 -1.30 0.00 0.00 177.93 177.33 1c15 n GLU 78 N -4.32 0.00 -1.23 5.26 -0.58 -1.02 -5.02 120.64 113.73 1c15 n GLU 78 Ca -0.01 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.72 1c15 n GLU 78 Cb 0.23 -0.21 0.01 0.00 -0.57 0.00 0.00 31.44 30.90 1c15 n GLU 78 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1c15 n GLY 79 N 2.13 -0.27 1.33 0.62 0.00 -1.21 -4.98 105.19 102.81 1c15 n GLY 79 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.20 1.23 -0.34 1.61 4.01 -1.04 -4.47 117.16 117.96 1c15 n TYR 80 Ca -0.05 -0.47 0.34 0.00 -0.16 0.00 0.00 57.90 57.55 1c15 n TYR 80 Cb 0.48 -0.25 0.71 0.00 -0.31 0.00 0.00 39.34 39.97 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 3.06 0.07 0.31 -0.72 3.64 -1.89 0.78 116.57 121.82 1c15 h LYS 81 Ca 0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1c15 h LYS 81 Cb 1.26 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1c15 h LYS 81 CO 0.22 0.05 -0.15 -0.44 -2.27 0.00 0.00 179.45 176.86 1c15 h ASP 82 N 0.07 -0.35 -0.15 4.20 5.19 -1.98 0.87 116.42 124.27 1c15 h ASP 82 Ca 0.59 -0.17 -0.19 0.00 -0.62 0.00 0.00 57.03 56.64 1c15 h ASP 82 Cb 2.19 0.09 0.01 0.00 0.18 0.00 0.00 39.33 41.80 1c15 h ASP 82 CO -0.07 0.01 -0.67 0.25 -3.12 0.00 0.00 179.24 175.64 1c15 h LEU 83 N -0.74 0.85 -1.17 1.55 6.46 -1.42 -3.16 115.31 117.67 1c15 h LEU 83 Ca -0.04 -0.62 -0.02 0.00 -0.12 0.00 0.00 57.88 57.07 1c15 h LEU 83 Cb 0.50 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.15 1c15 h LEU 83 CO 0.07 1.33 0.29 0.00 -0.62 0.00 0.00 178.44 179.51 1c15 h ALA 84 N 0.54 1.36 -0.48 1.25 0.00 0.44 -2.07 119.26 120.30 1c15 h ALA 84 Ca -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1c15 h ALA 84 Cb 1.30 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1c15 h ALA 84 CO 0.14 0.50 0.25 0.00 0.00 0.00 0.00 179.25 180.14 1c15 h ALA 85 N 1.45 1.53 -0.79 0.00 0.00 -0.79 -2.07 119.26 118.59 1c15 h ALA 85 Ca 0.21 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1c15 h ALA 85 Cb 0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1c15 h ALA 85 CO -0.03 0.39 0.52 1.25 0.00 0.00 0.00 179.25 181.37 1c15 h LEU 86 N 0.67 0.88 -0.21 0.00 6.46 -1.34 0.14 115.31 121.91 1c15 h LEU 86 Ca 0.17 -0.01 -0.14 0.00 -0.12 0.00 0.00 57.88 57.78 1c15 h LEU 86 Cb 0.05 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 39.77 1c15 h LEU 86 CO -0.03 0.62 -0.40 -0.07 -0.62 0.00 0.00 178.44 177.94 1c15 h LEU 87 N 1.03 0.71 -1.17 2.25 4.07 -1.43 -3.13 115.31 117.64 1c15 h LEU 87 Ca 0.30 -0.55 -0.07 0.00 0.08 0.00 0.00 57.88 57.64 1c15 h LEU 87 Cb -0.06 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.46 1c15 h LEU 87 CO -0.09 1.13 -0.21 -0.74 -1.08 0.00 0.00 178.44 177.45 1c15 h HIS 88 N 0.32 0.35 0.00 1.13 2.76 -1.08 -1.99 115.15 116.63 1c15 h HIS 88 Ca 0.01 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 1c15 h HIS 88 Cb 1.01 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.87 1c15 h HIS 88 CO 0.09 0.51 0.00 -0.25 -1.30 0.00 0.00 177.93 176.98 1c15 n ASP 89 N -4.18 0.66 -0.34 3.26 9.92 0.47 -2.09 116.55 124.25 1c15 n ASP 89 Ca -0.01 0.70 0.06 0.00 -0.53 0.00 0.00 54.79 55.02 1c15 n ASP 89 Cb 0.34 -0.82 0.01 0.00 -0.64 0.00 0.00 41.12 40.01 1c15 n ASP 89 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1c15 n GLY 90 N -0.36 -0.10 0.20 0.44 0.00 -0.78 -4.51 105.19 100.08 1c15 n GLY 90 Ca 0.01 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 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 1.69 0.65 0.00 -0.61 2.04 -1.05 -3.40 117.51 116.83 1c15 h ILE 91 Ca 0.00 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1c15 h ILE 91 Cb 0.47 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1c15 h ILE 91 CO 0.00 0.11 0.00 -0.81 0.00 0.00 0.00 178.15 177.45 1c15 n PRO 92 N -5.13 0.00 -4.25 2.37 -0.04 -1.26 -3.02 135.00 123.68 1c15 n PRO 92 Ca -0.09 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.18 1c15 n PRO 92 Cb 0.27 -0.57 -0.11 0.00 -0.04 0.00 0.00 33.50 33.04 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 -0.32 1.38 -0.40 0.52 1.01 -1.26 -4.65 120.40 116.69 1c15 s VAL 93 Ca 0.00 -1.75 0.09 0.00 0.00 0.00 0.00 61.98 60.32 1c15 s VAL 93 Cb 0.00 -1.57 -0.10 0.00 0.00 0.00 0.00 36.38 34.71 1c15 s VAL 93 CO 0.00 -0.41 0.37 0.52 0.00 0.00 0.00 175.10 175.58 1c15 n VAL 94 N 0.49 0.00 0.23 2.92 0.31 -1.26 -4.50 118.33 116.52 1c15 n VAL 94 Ca -0.15 -0.28 -0.16 0.00 -0.01 0.00 0.00 64.34 63.74 1c15 n VAL 94 Cb 0.57 0.95 -0.08 0.00 -0.91 0.00 0.00 33.84 34.38 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 -0.95 0.00 4.52 0.87 -1.96 -3.45 113.55 112.58 1c15 h SER 95 Ca 0.00 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1c15 h SER 95 Cb 0.23 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1c15 h SER 95 CO 0.00 -0.50 0.00 -0.24 -0.53 0.00 0.00 176.83 175.56 1c15 n SER 96 N -5.46 0.00 0.00 6.23 2.88 -1.26 -5.27 113.62 110.73 1c15 n SER 96 Ca -0.10 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1c15 n SER 96 Cb 0.37 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 1c15 n SER 96 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61