#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cb1 n ALA -1 N 0.00 3.94 -1.82 -0.43 0.00 -1.26 -4.93 120.51 116.00 1cb1 n ALA -1 Ca 0.00 -3.49 -0.41 0.00 0.00 0.00 0.00 53.44 49.53 1cb1 n ALA -1 Cb 0.00 -3.60 -0.02 0.00 0.00 0.00 0.00 19.45 15.83 1cb1 n ALA -1 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1cb1 s GLN 0 N 4.49 4.19 0.63 0.00 0.74 -1.26 -4.97 119.66 123.48 1cb1 s GLN 0 Ca 0.55 2.45 -0.17 0.00 0.05 0.00 0.00 55.36 58.24 1cb1 s GLN 0 Cb 0.13 -3.07 -0.01 0.00 1.10 0.00 0.00 33.01 31.16 1cb1 s GLN 0 CO 0.05 -0.55 1.20 0.15 -0.55 0.00 0.00 175.29 175.59 1cb1 s LYS 1 N -0.26 2.75 0.50 1.67 3.01 -1.26 -4.94 119.74 121.21 1cb1 s LYS 1 Ca 0.63 1.76 -0.23 0.00 -1.01 0.00 0.00 55.97 57.11 1cb1 s LYS 1 Cb -0.45 -1.91 -0.06 0.00 -1.01 0.00 0.00 37.83 34.40 1cb1 s LYS 1 CO 0.44 -1.36 1.38 -1.12 0.51 0.00 0.00 175.35 175.20 1cb1 s SER 2 N -1.82 5.58 0.27 2.83 0.01 -1.26 -4.72 113.70 114.59 1cb1 s SER 2 Ca 0.75 2.82 -0.05 0.00 1.31 0.00 0.00 55.95 60.78 1cb1 s SER 2 Cb -0.29 -2.64 0.52 0.00 0.21 0.00 0.00 66.02 63.82 1cb1 s SER 2 CO 0.37 -1.37 1.59 -0.65 0.41 0.00 0.00 173.24 173.59 1cb1 h PRO 3 N 1.88 0.03 -0.77 12.44 0.11 -1.99 -0.05 132.00 143.66 1cb1 h PRO 3 Ca -0.51 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.68 1cb1 h PRO 3 Cb 1.28 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.32 1cb1 h PRO 3 CO 0.59 0.02 0.43 0.00 -0.21 0.00 0.00 178.00 178.83 1cb1 h ALA 4 N 1.88 1.06 0.22 -0.75 0.00 -1.98 0.28 119.26 119.97 1cb1 h ALA 4 Ca 0.48 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 1cb1 h ALA 4 Cb 0.86 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1cb1 h ALA 4 CO -0.86 0.08 -0.11 0.93 0.00 0.00 0.00 179.25 179.30 1cb1 h GLU 5 N 0.75 -0.29 -0.59 0.00 5.08 -1.39 0.91 114.58 119.05 1cb1 h GLU 5 Ca 0.36 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.82 1cb1 h GLU 5 Cb 0.29 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 1cb1 h GLU 5 CO -0.22 -0.04 0.25 -0.07 -1.00 0.00 0.00 179.01 177.92 1cb1 h LEU 6 N -0.50 0.29 -0.60 1.33 3.38 -0.85 -1.40 115.31 116.95 1cb1 h LEU 6 Ca -0.03 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1cb1 h LEU 6 Cb 0.38 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1cb1 h LEU 6 CO 0.05 0.18 0.38 0.50 0.09 0.00 0.00 178.44 179.64 1cb1 h LYS 7 N 0.46 0.81 0.32 1.13 3.64 -0.28 0.11 116.57 122.75 1cb1 h LYS 7 Ca 0.29 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1cb1 h LYS 7 Cb 0.30 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1cb1 h LYS 7 CO -0.26 0.56 -0.15 0.77 -2.27 0.00 0.00 179.45 178.11 1cb1 h SER 8 N 0.82 -0.36 -0.11 4.20 0.02 0.07 0.20 113.55 118.39 1cb1 h SER 8 Ca 0.22 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1cb1 h SER 8 Cb -0.05 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1cb1 h SER 8 CO -0.04 -0.22 -0.01 0.40 -1.14 0.00 0.00 176.83 175.82 1cb1 h ILE 9 N -0.47 0.91 -0.37 3.27 2.04 -1.13 -0.95 117.51 120.81 1cb1 h ILE 9 Ca -0.04 -0.01 0.08 0.00 1.00 0.00 0.00 64.86 65.89 1cb1 h ILE 9 Cb 0.35 0.88 -0.08 0.00 -0.74 0.00 0.00 36.82 37.24 1cb1 h ILE 9 CO 0.07 0.00 -0.15 0.15 0.00 0.00 0.00 178.15 178.22 1cb1 h PHE 10 N 0.03 -0.37 -0.56 1.37 3.57 -0.67 -1.73 116.94 118.57 1cb1 h PHE 10 Ca 0.05 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.63 1cb1 h PHE 10 Cb 0.07 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 1cb1 h PHE 10 CO -0.14 -0.23 0.32 0.93 -2.23 0.00 0.00 178.31 176.96 1cb1 h GLU 11 N -0.08 0.60 -0.93 1.11 5.08 -0.14 0.11 114.58 120.34 1cb1 h GLU 11 Ca 0.19 -0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.66 1cb1 h GLU 11 Cb 0.37 -0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.40 1cb1 h GLU 11 CO -0.43 0.40 0.59 -0.22 -1.00 0.00 0.00 179.01 178.35 1cb1 h LYS 12 N 0.62 0.71 0.17 2.33 1.63 -0.29 0.13 116.57 121.87 1cb1 h LYS 12 Ca 0.24 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.98 1cb1 h LYS 12 Cb 0.08 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.55 1cb1 h LYS 12 CO -0.13 0.47 -0.08 1.88 -3.45 0.00 0.00 179.45 178.14 1cb1 h TYR 13 N 0.73 -0.21 -1.10 1.91 -1.99 -0.88 -3.34 116.97 112.07 1cb1 h TYR 13 Ca 0.47 -0.01 0.30 0.00 2.00 0.00 0.00 58.73 61.50 1cb1 h TYR 13 Cb 0.74 0.07 -0.08 0.00 2.00 0.00 0.00 36.73 39.46 1cb1 h TYR 13 CO -0.00 -0.01 0.73 0.00 -0.00 0.00 0.00 178.16 178.88 1cb1 h ALA 14 N -0.88 2.52 0.00 3.88 0.00 -0.46 -0.14 119.26 124.19 1cb1 h ALA 14 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1cb1 h ALA 14 Cb 0.30 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1cb1 h ALA 14 CO 0.04 -0.93 0.23 0.00 0.00 0.00 0.00 179.25 178.59 1cb1 h ALA 15 N 1.56 1.21 0.00 0.00 0.00 -0.87 0.17 119.26 121.34 1cb1 h ALA 15 Ca 0.61 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.48 1cb1 h ALA 15 Cb 1.81 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 1cb1 h ALA 15 CO -0.23 -0.21 -0.19 0.87 0.00 0.00 0.00 179.25 179.49 1cb1 h LYS 16 N 0.00 0.00 -7.08 0.00 1.57 -1.22 -3.45 116.57 106.39 1cb1 h LYS 16 Ca 0.00 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.33 1cb1 h LYS 16 Cb 0.45 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.84 1cb1 h LYS 16 CO 0.00 0.19 0.09 -1.21 -0.57 0.00 0.00 179.45 177.95 1cb1 s GLU 17 N -3.79 2.03 0.12 3.15 2.02 0.60 -5.03 118.70 117.80 1cb1 s GLU 17 Ca -0.00 -0.82 -0.30 0.00 0.02 0.00 0.00 54.97 53.87 1cb1 s GLU 17 Cb 0.11 -2.34 -0.09 0.00 0.10 0.00 0.00 34.13 31.91 1cb1 s GLU 17 CO 0.62 -1.19 1.59 0.78 0.02 0.00 0.00 175.26 177.08 1cb1 h GLY 18 N -0.38 -0.76 -7.35 -1.39 0.00 -1.86 -3.39 103.07 87.94 1cb1 h GLY 18 Ca -0.40 0.47 -0.63 0.00 0.00 0.00 0.00 47.33 46.77 1cb1 h GLY 18 CO 0.48 -0.26 -0.54 0.51 0.00 0.00 0.00 176.54 176.73 1cb1 s ASP 19 N -4.75 5.82 -1.02 0.19 -4.77 -1.26 -5.01 116.67 105.87 1cb1 s ASP 19 Ca -0.16 -0.01 -0.07 0.00 -3.30 0.00 0.00 52.55 49.01 1cb1 s ASP 19 Cb 0.08 -2.06 -0.09 0.00 -1.09 0.00 0.00 42.92 39.76 1cb1 s ASP 19 CO 0.64 0.01 2.54 -0.81 0.70 0.00 0.00 175.17 178.25 1cb1 n PRO 20 N 4.64 2.58 -0.83 2.11 -0.04 -1.26 -3.93 135.00 138.27 1cb1 n PRO 20 Ca -0.15 -1.61 -0.05 0.00 -0.04 0.00 0.00 63.50 61.65 1cb1 n PRO 20 Cb 0.52 -2.48 -0.05 0.00 -0.04 0.00 0.00 33.50 31.45 1cb1 n PRO 20 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1cb1 n ASN 21 N 3.71 -0.67 -3.49 3.54 2.85 -1.26 -4.71 115.26 115.24 1cb1 n ASN 21 Ca 0.55 -1.66 -0.13 0.00 -0.11 0.00 0.00 54.58 53.23 1cb1 n ASN 21 Cb 0.26 0.20 -0.03 0.00 1.24 0.00 0.00 39.78 41.44 1cb1 n ASN 21 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1cb1 s GLN 22 N 0.00 1.18 0.03 1.20 -0.21 -1.25 -3.55 119.66 117.05 1cb1 s GLN 22 Ca 0.00 -0.36 0.05 0.00 0.02 0.00 0.00 55.36 55.07 1cb1 s GLN 22 Cb 0.00 0.54 -0.02 0.00 1.00 0.00 0.00 33.01 34.53 1cb1 s GLN 22 CO 0.00 -0.48 -0.14 -0.48 -2.12 0.00 0.00 175.29 172.07 1cb1 s LEU 23 N -2.40 2.14 0.00 2.90 0.05 -0.96 -4.19 118.68 116.21 1cb1 s LEU 23 Ca -0.02 -0.41 -0.09 0.00 0.05 0.00 0.00 54.13 53.67 1cb1 s LEU 23 Cb -0.00 -0.62 0.13 0.00 -2.05 0.00 0.00 46.19 43.64 1cb1 s LEU 23 CO -0.08 0.06 0.74 -0.24 -0.55 0.00 0.00 176.35 176.28 1cb1 n SER 24 N 2.10 0.01 0.16 1.48 2.88 -1.26 -1.16 113.62 117.84 1cb1 n SER 24 Ca -0.17 -1.26 -0.15 0.00 -1.33 0.00 0.00 58.87 55.96 1cb1 n SER 24 Cb 0.55 -0.57 -0.08 0.00 -0.75 0.00 0.00 64.21 63.36 1cb1 n SER 24 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1cb1 h LYS 25 N 0.00 -0.70 -0.67 -1.46 3.64 -1.97 0.95 116.57 116.37 1cb1 h LYS 25 Ca -0.24 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 1cb1 h LYS 25 Cb 0.66 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 1cb1 h LYS 25 CO 0.17 -0.46 0.35 1.49 -2.27 0.00 0.00 179.45 178.72 1cb1 h GLU 26 N -0.72 0.93 -0.32 1.90 4.22 -1.99 0.41 114.58 119.01 1cb1 h GLU 26 Ca -0.00 -0.11 -0.08 0.00 0.08 0.00 0.00 59.36 59.25 1cb1 h GLU 26 Cb 0.71 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1cb1 h GLU 26 CO -0.18 0.70 -0.10 0.93 -2.18 0.00 0.00 179.01 178.18 1cb1 h GLU 27 N 0.94 0.64 -0.06 1.92 5.08 -1.84 -1.79 114.58 119.47 1cb1 h GLU 27 Ca 0.24 -0.26 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1cb1 h GLU 27 Cb 0.05 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1cb1 h GLU 27 CO -0.04 0.83 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.66 1cb1 h LEU 28 N 0.41 -0.24 -0.41 1.33 3.38 -0.25 0.03 115.31 119.56 1cb1 h LEU 28 Ca 0.08 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.16 1cb1 h LEU 28 Cb 0.61 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.38 1cb1 h LEU 28 CO 0.04 -0.11 -0.44 0.50 0.09 0.00 0.00 178.44 178.51 1cb1 h LYS 29 N -0.11 -0.32 -0.23 1.13 1.63 -0.73 0.24 116.57 118.19 1cb1 h LYS 29 Ca 0.05 0.02 0.06 0.00 -0.85 0.00 0.00 60.65 59.93 1cb1 h LYS 29 Cb 0.18 0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 31.83 1cb1 h LYS 29 CO -0.13 -0.21 -0.15 1.96 -3.45 0.00 0.00 179.45 177.47 1cb1 h GLN 30 N -0.33 -0.13 -0.56 1.90 4.20 -1.03 0.17 115.11 119.31 1cb1 h GLN 30 Ca 0.13 0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.97 1cb1 h GLN 30 Cb 0.59 0.03 -0.10 0.00 0.30 0.00 0.00 27.48 28.30 1cb1 h GLN 30 CO -0.58 -0.09 -0.05 1.25 -0.67 0.00 0.00 178.83 178.69 1cb1 h LEU 31 N -0.14 -0.35 0.33 1.46 5.85 0.60 0.68 115.31 123.74 1cb1 h LEU 31 Ca 0.13 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.98 1cb1 h LEU 31 Cb 0.33 0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1cb1 h LEU 31 CO -0.31 -0.13 -0.16 0.40 -0.34 0.00 0.00 178.44 177.89 1cb1 h ILE 32 N 0.07 0.68 -0.98 4.05 1.08 0.13 0.10 117.51 122.64 1cb1 h ILE 32 Ca 0.28 -0.12 0.05 0.00 -0.39 0.00 0.00 64.86 64.68 1cb1 h ILE 32 Cb 0.45 0.75 -0.06 0.00 -3.07 0.00 0.00 36.82 34.89 1cb1 h ILE 32 CO -0.52 0.03 0.64 1.56 -0.69 0.00 0.00 178.15 179.17 1cb1 h GLN 33 N -0.51 1.17 0.41 2.37 1.08 -0.58 0.41 115.11 119.46 1cb1 h GLN 33 Ca -0.05 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.06 1cb1 h GLN 33 Cb 0.39 -0.26 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1cb1 h GLN 33 CO 0.08 0.77 -0.20 0.00 -0.95 0.00 0.00 178.83 178.53 1cb1 h ALA 34 N 1.42 -0.55 0.15 3.87 0.00 -0.65 -3.33 119.26 120.18 1cb1 h ALA 34 Ca 0.41 -0.15 -0.34 0.00 0.00 0.00 0.00 54.91 54.83 1cb1 h ALA 34 Cb 0.08 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1cb1 h ALA 34 CO -0.15 -0.54 -1.70 0.93 0.00 0.00 0.00 179.25 177.80 1cb1 h GLU 35 N -1.09 0.32 -1.93 0.00 3.07 -0.78 -3.42 114.58 110.75 1cb1 h GLU 35 Ca -0.06 -0.55 -0.51 0.00 -0.50 0.00 0.00 59.36 57.75 1cb1 h GLU 35 Cb 0.49 0.20 -0.41 0.00 -0.84 0.00 0.00 28.75 28.19 1cb1 h GLU 35 CO 0.09 1.21 -0.99 1.19 -1.40 0.00 0.00 179.01 179.11 1cb1 n PHE 36 N -3.51 1.73 0.00 4.33 3.72 0.14 -5.00 117.46 118.86 1cb1 n PHE 36 Ca -0.22 -3.70 0.00 0.00 -0.05 0.00 0.00 57.45 53.48 1cb1 n PHE 36 Cb 1.06 -0.41 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 1cb1 n PHE 36 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1cb1 n PRO 37 N 0.02 0.00 -0.33 -1.08 -0.04 -0.82 -3.65 135.00 129.10 1cb1 n PRO 37 Ca 0.26 0.00 0.30 0.00 -0.04 0.00 0.00 63.50 64.02 1cb1 n PRO 37 Cb 0.60 -0.81 0.57 0.00 -0.04 0.00 0.00 33.50 33.81 1cb1 n PRO 37 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1cb1 h SER 38 N 0.00 0.36 0.03 3.54 0.02 -1.90 0.24 113.55 115.84 1cb1 h SER 38 Ca 0.00 0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1cb1 h SER 38 Cb 0.00 0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 1cb1 h SER 38 CO 0.00 -0.36 -0.02 -0.07 -1.14 0.00 0.00 176.83 175.24 1cb1 h LEU 39 N 0.08 0.00 0.00 5.07 3.38 -1.97 -3.20 115.31 118.66 1cb1 h LEU 39 Ca 0.82 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.79 1cb1 h LEU 39 Cb 2.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.88 1cb1 h LEU 39 CO -0.72 0.02 -0.13 0.18 0.09 0.00 0.00 178.44 177.88 1cb1 n LEU 40 N -4.26 0.00 -3.74 1.67 4.77 0.35 -4.88 117.00 110.90 1cb1 n LEU 40 Ca -0.03 -0.38 -0.42 0.00 -0.03 0.00 0.00 56.01 55.15 1cb1 n LEU 40 Cb 0.11 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1cb1 n LEU 40 CO 0.32 0.00 2.32 0.29 -1.33 0.00 0.00 177.39 178.99 1cb1 n LYS 41 N -0.96 2.12 -1.86 3.23 4.76 0.57 -4.42 118.16 121.60 1cb1 n LYS 41 Ca 0.00 -2.23 -0.00 0.00 -2.87 0.00 0.00 58.31 53.21 1cb1 n LYS 41 Cb 0.00 -3.12 0.00 0.00 -1.84 0.00 0.00 35.03 30.07 1cb1 n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1cb1 n GLY 42 N 4.44 1.06 2.75 0.72 0.00 -1.26 -4.87 105.19 108.03 1cb1 n GLY 42 Ca 0.50 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 1cb1 n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cb1 n PRO 43 N -0.11 2.38 -4.20 1.61 -0.04 -1.26 -4.79 135.00 128.58 1cb1 n PRO 43 Ca -0.00 -2.01 -0.12 0.00 -0.04 0.00 0.00 63.50 61.33 1cb1 n PRO 43 Cb 0.08 -2.88 -0.10 0.00 -0.04 0.00 0.00 33.50 30.56 1cb1 n PRO 43 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1cb1 s ARG 44 N 3.65 1.14 -0.55 0.54 0.52 -1.26 -5.06 118.95 117.93 1cb1 s ARG 44 Ca 0.52 -1.59 -0.13 0.00 -0.52 0.00 0.00 55.73 54.02 1cb1 s ARG 44 Cb 0.14 0.16 -0.12 0.00 0.52 0.00 0.00 34.95 35.66 1cb1 s ARG 44 CO -0.00 -0.33 1.75 2.41 0.02 0.00 0.00 175.30 179.15 1cb1 n THR 45 N -0.24 1.40 -0.22 0.02 -1.04 -1.26 -4.69 114.28 108.26 1cb1 n THR 45 Ca -0.01 -0.98 -0.02 0.00 -2.04 0.00 0.00 64.05 61.01 1cb1 n THR 45 Cb 0.65 -2.03 0.09 0.00 -1.82 0.00 0.00 70.33 67.22 1cb1 n THR 45 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1cb1 h LEU 46 N 11.56 0.48 -6.06 -4.42 5.85 -1.87 -3.40 115.31 117.46 1cb1 h LEU 46 Ca 0.34 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 59.04 1cb1 h LEU 46 Cb 0.34 -0.05 -0.22 0.00 0.37 0.00 0.00 40.66 41.10 1cb1 h LEU 46 CO 1.58 0.31 -0.44 1.51 -0.34 0.00 0.00 178.44 181.06 1cb1 s ASP 47 N -5.55 -1.19 0.23 1.25 -4.77 -1.26 -4.82 116.67 100.55 1cb1 s ASP 47 Ca -0.13 -0.28 0.00 0.00 -3.30 0.00 0.00 52.55 48.85 1cb1 s ASP 47 Cb 0.16 1.82 0.00 0.00 -1.09 0.00 0.00 42.92 43.81 1cb1 s ASP 47 CO 0.75 -0.27 0.00 -0.67 0.70 0.00 0.00 175.17 175.69 1cb1 n ASP 48 N 5.04 -1.84 -0.30 2.11 2.03 -1.26 -4.80 116.55 117.53 1cb1 n ASP 48 Ca 0.07 0.44 -0.05 0.00 0.52 0.00 0.00 54.79 55.77 1cb1 n ASP 48 Cb 0.54 1.92 0.07 0.00 -0.72 0.00 0.00 41.12 42.93 1cb1 n ASP 48 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 1cb1 h LEU 49 N 0.00 1.03 -0.86 -2.67 8.10 -1.93 -1.35 115.31 117.63 1cb1 h LEU 49 Ca 0.00 -0.11 0.20 0.00 0.11 0.00 0.00 57.88 58.08 1cb1 h LEU 49 Cb 0.00 -0.26 -0.16 0.00 -0.44 0.00 0.00 40.66 39.80 1cb1 h LEU 49 CO 0.00 0.85 -0.08 0.15 -4.11 0.00 0.00 178.44 175.25 1cb1 h PHE 50 N 1.14 -0.21 -0.09 0.17 3.04 -1.88 0.27 116.94 119.39 1cb1 h PHE 50 Ca 0.29 0.07 -0.02 0.00 3.98 0.00 0.00 57.97 62.29 1cb1 h PHE 50 Cb 0.06 0.23 -0.00 0.00 2.56 0.00 0.00 35.95 38.79 1cb1 h PHE 50 CO 0.01 -0.34 -0.02 0.37 -2.02 0.00 0.00 178.31 176.31 1cb1 h GLN 51 N 0.04 0.17 -0.94 1.11 4.15 -1.57 -2.87 115.11 115.20 1cb1 h GLN 51 Ca 0.46 -0.06 0.14 0.00 0.77 0.00 0.00 58.65 59.95 1cb1 h GLN 51 Cb 0.82 -0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.42 1cb1 h GLN 51 CO -0.82 0.48 0.60 1.49 -1.93 0.00 0.00 178.83 178.64 1cb1 h GLU 52 N -0.14 0.78 0.00 1.69 4.57 -0.63 -0.05 114.58 120.80 1cb1 h GLU 52 Ca 0.02 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1cb1 h GLU 52 Cb 0.41 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1cb1 h GLU 52 CO 0.01 0.52 0.00 -0.07 -1.18 0.00 0.00 179.01 178.29 1cb1 h LEU 53 N 0.81 0.00 -6.06 1.64 3.38 -0.78 -3.32 115.31 110.97 1cb1 h LEU 53 Ca 0.47 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.81 1cb1 h LEU 53 Cb 0.65 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.41 1cb1 h LEU 53 CO -0.24 0.00 2.73 0.47 0.09 0.00 0.00 178.44 181.49 1cb1 n ASP 54 N -2.64 3.79 -4.68 -0.43 8.00 -0.03 -3.80 116.55 116.76 1cb1 n ASP 54 Ca -0.01 -2.67 -0.42 0.00 0.71 0.00 0.00 54.79 52.40 1cb1 n ASP 54 Cb 0.11 -1.31 -0.03 0.00 -0.02 0.00 0.00 41.12 39.87 1cb1 n ASP 54 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1cb1 s LYS 55 N 3.99 4.15 0.33 -1.24 1.02 -0.83 -4.60 119.74 122.56 1cb1 s LYS 55 Ca 0.53 2.56 0.08 0.00 0.02 0.00 0.00 55.97 59.15 1cb1 s LYS 55 Cb 0.14 -3.87 0.59 0.00 -0.52 0.00 0.00 37.83 34.17 1cb1 s LYS 55 CO 0.02 -0.88 1.79 -0.97 -0.92 0.00 0.00 175.35 174.38 1cb1 h ASN 56 N 9.52 0.24 -0.70 2.83 -1.24 -1.85 0.24 115.58 124.61 1cb1 h ASN 56 Ca -0.47 -0.08 0.09 0.00 0.71 0.00 0.00 56.30 56.55 1cb1 h ASN 56 Cb 1.22 -0.06 -0.07 0.00 0.73 0.00 0.00 38.32 40.14 1cb1 h ASN 56 CO 0.94 0.53 0.36 1.23 -1.29 0.00 0.00 177.43 179.20 1cb1 h GLY 57 N 1.03 1.04 0.98 1.57 0.00 -1.94 -2.53 103.07 103.22 1cb1 h GLY 57 Ca 0.03 -0.23 -0.31 0.00 0.00 0.00 0.00 47.33 46.82 1cb1 h GLY 57 CO 0.05 0.08 -1.47 -0.55 0.00 0.00 0.00 176.54 174.64 1cb1 h ASP 58 N 0.62 0.67 0.00 0.19 5.19 -1.89 -3.49 116.42 117.71 1cb1 h ASP 58 Ca 0.34 -0.92 0.00 0.00 -0.62 0.00 0.00 57.03 55.82 1cb1 h ASP 58 Cb 0.33 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.62 1cb1 h ASP 58 CO -0.25 1.69 0.00 0.61 -3.12 0.00 0.00 179.24 178.17 1cb1 n GLY 59 N 1.76 2.99 0.00 2.75 0.00 0.83 -5.06 105.19 108.47 1cb1 n GLY 59 Ca -0.20 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1cb1 n GLY 59 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1cb1 n GLU 60 N 0.00 0.68 -2.85 1.61 -0.58 -1.07 -4.19 120.64 114.23 1cb1 n GLU 60 Ca 0.00 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.31 1cb1 n GLU 60 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 1cb1 n GLU 60 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1cb1 s VAL 61 N 1.53 4.49 1.05 2.62 1.01 -0.31 -1.96 120.40 128.83 1cb1 s VAL 61 Ca 0.00 -1.08 -0.12 0.00 0.00 0.00 0.00 61.98 60.78 1cb1 s VAL 61 Cb 0.00 -4.79 0.22 0.00 0.00 0.00 0.00 36.38 31.81 1cb1 s VAL 61 CO 0.00 -1.55 1.07 -0.44 0.00 0.00 0.00 175.10 174.18 1cb1 s SER 62 N 3.82 1.99 0.21 3.32 0.01 -1.26 -2.27 113.70 119.52 1cb1 s SER 62 Ca 0.31 1.61 -0.10 0.00 1.31 0.00 0.00 55.95 59.07 1cb1 s SER 62 Cb -0.08 -2.28 0.29 0.00 0.21 0.00 0.00 66.02 64.16 1cb1 s SER 62 CO -0.03 -3.59 1.69 0.15 0.41 0.00 0.00 173.24 171.87 1cb1 h PHE 63 N -2.20 0.11 -0.39 2.43 3.57 -1.96 0.12 116.94 118.61 1cb1 h PHE 63 Ca -0.55 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.05 1cb1 h PHE 63 Cb 1.31 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 40.04 1cb1 h PHE 63 CO 0.34 -0.08 0.07 1.05 -2.23 0.00 0.00 178.31 177.46 1cb1 h GLU 64 N 0.20 0.18 -0.56 1.11 4.11 -1.93 0.13 114.58 117.82 1cb1 h GLU 64 Ca 0.31 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.73 1cb1 h GLU 64 Cb 0.48 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1cb1 h GLU 64 CO -0.44 0.12 0.37 0.93 0.07 0.00 0.00 179.01 180.06 1cb1 h GLU 65 N 0.19 0.75 -0.03 1.06 4.39 -1.50 0.05 114.58 119.48 1cb1 h GLU 65 Ca 0.19 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1cb1 h GLU 65 Cb 0.23 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1cb1 h GLU 65 CO -0.26 0.51 0.02 0.35 -1.16 0.00 0.00 179.01 178.47 1cb1 h PHE 66 N 0.76 0.04 -0.95 4.33 3.57 -0.03 0.32 116.94 124.98 1cb1 h PHE 66 Ca 0.21 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.76 1cb1 h PHE 66 Cb -0.07 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.59 1cb1 h PHE 66 CO -0.03 0.05 0.61 1.96 -2.23 0.00 0.00 178.31 178.66 1cb1 h GLN 67 N 0.02 1.09 -0.33 1.11 1.08 -0.34 0.70 115.11 118.43 1cb1 h GLN 67 Ca 0.01 -0.07 0.03 0.00 -1.45 0.00 0.00 58.65 57.18 1cb1 h GLN 67 Cb 0.02 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 27.17 1cb1 h GLN 67 CO -0.00 0.72 0.14 0.28 -0.95 0.00 0.00 178.83 179.02 1cb1 h VAL 68 N 1.12 0.95 0.13 -0.54 2.07 -0.44 0.33 116.25 119.87 1cb1 h VAL 68 Ca 0.41 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.84 1cb1 h VAL 68 Cb 0.14 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 1cb1 h VAL 68 CO -0.16 0.05 -0.34 0.25 0.02 0.00 0.00 177.57 177.39 1cb1 h LEU 69 N 0.30 -0.99 -0.47 2.57 6.46 0.34 -1.01 115.31 122.50 1cb1 h LEU 69 Ca 0.14 0.11 0.10 0.00 -0.12 0.00 0.00 57.88 58.11 1cb1 h LEU 69 Cb 0.08 0.38 -0.09 0.00 -0.73 0.00 0.00 40.66 40.30 1cb1 h LEU 69 CO -0.12 -0.43 -0.13 0.58 -0.62 0.00 0.00 178.44 177.71 1cb1 h VAL 70 N -0.58 0.50 -0.09 1.05 2.07 -0.51 -0.48 116.25 118.21 1cb1 h VAL 70 Ca 0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.58 1cb1 h VAL 70 Cb 0.60 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1cb1 h VAL 70 CO -0.20 0.00 -0.15 0.11 0.02 0.00 0.00 177.57 177.35 1cb1 h LYS 71 N -0.02 -0.19 0.00 1.57 1.79 -0.58 -1.06 116.57 118.08 1cb1 h LYS 71 Ca 0.23 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1cb1 h LYS 71 Cb 0.37 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1cb1 h LYS 71 CO -0.50 -0.13 0.02 1.63 -1.08 0.00 0.00 179.45 179.39 1cb1 n LYS 72 N -5.29 0.10 -0.19 3.15 5.02 -0.30 -1.46 118.16 119.19 1cb1 n LYS 72 Ca -0.04 0.60 0.02 0.00 -2.02 0.00 0.00 58.31 56.87 1cb1 n LYS 72 Cb 0.21 -1.86 0.28 0.00 -0.02 0.00 0.00 35.03 33.63 1cb1 n LYS 72 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1cb1 h ILE 73 N 0.00 1.16 0.00 -0.18 2.04 -0.04 -3.46 117.51 117.03 1cb1 h ILE 73 Ca 0.00 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1cb1 h ILE 73 Cb 0.04 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 1cb1 h ILE 73 CO 0.00 0.17 0.00 -1.54 0.00 0.00 0.00 178.15 176.78 1cb1 n SER 74 N -4.44 0.00 0.00 1.72 3.41 -0.53 -5.01 113.62 108.77 1cb1 n SER 74 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1cb1 n SER 74 Cb 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1cb1 n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88