#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cb1 h ALA -1 N 0.00 0.22 -2.72 -0.43 0.00 -2.09 -3.37 119.26 110.87 1cb1 h ALA -1 Ca 0.00 0.12 -0.56 0.00 0.00 0.00 0.00 54.91 54.47 1cb1 h ALA -1 Cb 0.00 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1cb1 h ALA -1 CO 0.00 -0.46 0.01 -1.14 0.00 0.00 0.00 179.25 177.66 1cb1 s GLN 0 N -6.21 4.31 0.12 0.00 2.00 -1.26 -4.76 119.66 113.87 1cb1 s GLN 0 Ca -0.14 0.79 0.00 0.00 -2.00 0.00 0.00 55.36 54.02 1cb1 s GLN 0 Cb 0.13 -3.31 0.00 0.00 0.80 0.00 0.00 33.01 30.63 1cb1 s GLN 0 CO 0.70 0.46 0.00 1.63 -0.50 0.00 0.00 175.29 177.58 1cb1 n LYS 1 N 2.35 -4.73 -3.65 1.67 4.76 -1.26 -5.12 118.16 112.18 1cb1 n LYS 1 Ca -0.07 3.36 -0.02 0.00 -2.87 0.00 0.00 58.31 58.71 1cb1 n LYS 1 Cb 0.51 -3.91 -0.01 0.00 -1.84 0.00 0.00 35.03 29.78 1cb1 n LYS 1 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1cb1 s SER 2 N -0.47 -0.14 0.63 4.39 1.04 -1.26 0.10 113.70 117.99 1cb1 s SER 2 Ca 0.00 -0.20 0.30 0.00 0.48 0.00 0.00 55.95 56.53 1cb1 s SER 2 Cb 0.00 0.29 1.63 0.00 0.10 0.00 0.00 66.02 68.04 1cb1 s SER 2 CO 0.00 -0.53 1.97 1.55 0.98 0.00 0.00 173.24 177.22 1cb1 h PRO 3 N 2.00 0.00 -0.53 4.02 0.13 -2.00 -0.57 132.00 135.05 1cb1 h PRO 3 Ca -0.25 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.03 1cb1 h PRO 3 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1cb1 h PRO 3 CO 0.27 0.00 0.38 0.00 -0.23 0.00 0.00 178.00 178.42 1cb1 h ALA 4 N 1.49 2.42 0.10 -0.56 0.00 -1.97 0.64 119.26 121.39 1cb1 h ALA 4 Ca 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1cb1 h ALA 4 Cb 0.75 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1cb1 h ALA 4 CO -0.00 -0.57 -0.05 0.93 0.00 0.00 0.00 179.25 179.56 1cb1 h GLU 5 N 0.06 -0.13 -0.20 0.00 4.39 -1.50 0.18 114.58 117.37 1cb1 h GLU 5 Ca 0.25 0.01 0.03 0.00 0.34 0.00 0.00 59.36 60.00 1cb1 h GLU 5 Cb 0.93 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.58 1cb1 h GLU 5 CO -0.02 0.11 -0.01 -0.07 -1.16 0.00 0.00 179.01 177.86 1cb1 h LEU 6 N -0.37 -0.10 -0.39 1.33 3.38 -1.26 -1.17 115.31 116.74 1cb1 h LEU 6 Ca -0.01 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.07 1cb1 h LEU 6 Cb 0.30 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 1cb1 h LEU 6 CO 0.02 -0.02 0.02 0.50 0.09 0.00 0.00 178.44 179.06 1cb1 h LYS 7 N 0.06 0.13 0.53 1.13 3.11 -0.82 0.91 116.57 121.61 1cb1 h LYS 7 Ca 0.10 -0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.90 1cb1 h LYS 7 Cb 0.13 -0.03 0.01 0.00 -1.00 0.00 0.00 32.23 31.33 1cb1 h LYS 7 CO -0.17 0.09 -0.25 0.77 -2.81 0.00 0.00 179.45 177.07 1cb1 h SER 8 N 0.13 -0.60 -0.27 4.20 0.02 0.04 0.28 113.55 117.34 1cb1 h SER 8 Ca 0.19 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.20 1cb1 h SER 8 Cb 0.26 0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 1cb1 h SER 8 CO -0.30 -0.42 -0.01 0.40 -1.14 0.00 0.00 176.83 175.36 1cb1 h ILE 9 N -0.72 0.80 -0.35 3.27 2.04 -0.99 -0.81 117.51 120.75 1cb1 h ILE 9 Ca -0.07 -0.03 0.07 0.00 1.00 0.00 0.00 64.86 65.84 1cb1 h ILE 9 Cb 0.55 0.72 -0.07 0.00 -0.74 0.00 0.00 36.82 37.27 1cb1 h ILE 9 CO 0.12 0.01 -0.14 0.15 0.00 0.00 0.00 178.15 178.30 1cb1 h PHE 10 N 0.07 -0.32 -0.86 1.37 3.04 -0.69 -1.66 116.94 117.89 1cb1 h PHE 10 Ca 0.13 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 62.10 1cb1 h PHE 10 Cb 0.17 0.20 -0.04 0.00 2.56 0.00 0.00 35.95 38.84 1cb1 h PHE 10 CO -0.21 -0.21 0.47 1.05 -2.02 0.00 0.00 178.31 177.38 1cb1 h GLU 11 N -0.07 1.20 -0.59 1.11 4.11 0.34 0.13 114.58 120.82 1cb1 h GLU 11 Ca 0.17 -0.14 -0.04 0.00 0.07 0.00 0.00 59.36 59.42 1cb1 h GLU 11 Cb 0.33 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1cb1 h GLU 11 CO -0.40 0.88 0.22 0.87 0.07 0.00 0.00 179.01 180.66 1cb1 h LYS 12 N 1.20 0.89 -0.28 1.06 1.79 -0.55 0.20 116.57 120.89 1cb1 h LYS 12 Ca 0.30 -0.17 -0.09 0.00 -2.18 0.00 0.00 60.65 58.52 1cb1 h LYS 12 Cb 0.03 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 1cb1 h LYS 12 CO -0.05 0.77 -0.17 1.88 -1.08 0.00 0.00 179.45 180.80 1cb1 h TYR 13 N 0.81 0.70 -0.21 -1.35 -1.99 -0.81 -1.71 116.97 112.41 1cb1 h TYR 13 Ca 0.19 -0.18 0.03 0.00 2.00 0.00 0.00 58.73 60.77 1cb1 h TYR 13 Cb 0.22 -0.16 -0.03 0.00 2.00 0.00 0.00 36.73 38.77 1cb1 h TYR 13 CO 0.01 0.86 0.04 0.00 -0.00 0.00 0.00 178.16 179.07 1cb1 h ALA 14 N 0.73 0.21 -0.86 3.88 0.00 -0.59 -1.84 119.26 120.79 1cb1 h ALA 14 Ca 0.06 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.10 1cb1 h ALA 14 Cb 0.70 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 1cb1 h ALA 14 CO 0.05 -0.39 0.56 0.00 0.00 0.00 0.00 179.25 179.47 1cb1 h ALA 15 N 1.15 1.67 -0.92 0.00 0.00 -0.49 0.18 119.26 120.86 1cb1 h ALA 15 Ca 0.09 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.13 1cb1 h ALA 15 Cb 0.09 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 1cb1 h ALA 15 CO -0.13 0.15 0.59 -0.22 0.00 0.00 0.00 179.25 179.64 1cb1 h LYS 16 N 0.84 0.76 0.03 0.00 3.64 -0.43 -2.06 116.57 119.35 1cb1 h LYS 16 Ca 0.40 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.66 1cb1 h LYS 16 Cb 0.42 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1cb1 h LYS 16 CO -0.17 0.50 -0.30 0.93 -2.27 0.00 0.00 179.45 178.15 1cb1 h GLU 17 N 0.78 0.14 0.00 1.90 5.08 -0.93 -3.50 114.58 118.05 1cb1 h GLU 17 Ca 0.46 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1cb1 h GLU 17 Cb 0.64 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1cb1 h GLU 17 CO -0.22 1.02 0.00 0.41 -1.00 0.00 0.00 179.01 179.22 1cb1 n GLY 18 N 1.39 -0.64 3.64 -3.84 0.00 -0.14 -5.10 105.19 100.50 1cb1 n GLY 18 Ca -0.11 0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1cb1 n GLY 18 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cb1 s ASP 19 N -2.27 6.23 0.00 1.61 -1.08 -1.25 -4.35 116.67 115.56 1cb1 s ASP 19 Ca 0.00 2.08 0.20 0.00 -0.52 0.00 0.00 52.55 54.31 1cb1 s ASP 19 Cb 0.00 -2.53 1.19 0.00 -1.46 0.00 0.00 42.92 40.13 1cb1 s ASP 19 CO 0.00 -1.31 1.58 -0.81 0.52 0.00 0.00 175.17 175.15 1cb1 n PRO 20 N 7.80 0.62 -0.06 4.34 -0.04 -1.26 -3.31 135.00 143.09 1cb1 n PRO 20 Ca 0.21 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.79 1cb1 n PRO 20 Cb 0.44 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.00 3.04 -3.78 3.54 5.15 -1.26 -4.35 115.26 116.60 1cb1 n ASN 21 Ca 0.15 -1.95 -0.10 0.00 -0.60 0.00 0.00 54.58 52.07 1cb1 n ASN 21 Cb 0.07 -0.08 -0.07 0.00 -0.53 0.00 0.00 39.78 39.17 1cb1 n ASN 21 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1cb1 s GLN 22 N -1.74 0.83 0.03 1.20 -0.21 -1.21 -0.49 119.66 118.08 1cb1 s GLN 22 Ca 0.30 -0.67 0.04 0.00 0.02 0.00 0.00 55.36 55.05 1cb1 s GLN 22 Cb 0.20 0.35 -0.02 0.00 1.00 0.00 0.00 33.01 34.54 1cb1 s GLN 22 CO 0.29 -0.27 -0.13 -0.48 -2.12 0.00 0.00 175.29 172.58 1cb1 s LEU 23 N -2.37 2.16 1.02 2.90 0.05 -1.22 -4.09 118.68 117.13 1cb1 s LEU 23 Ca -0.01 -0.43 -0.16 0.00 0.05 0.00 0.00 54.13 53.58 1cb1 s LEU 23 Cb 0.01 -0.53 0.21 0.00 -2.05 0.00 0.00 46.19 43.83 1cb1 s LEU 23 CO -0.07 0.02 1.25 -0.94 -0.55 0.00 0.00 176.35 176.06 1cb1 s SER 24 N -1.06 2.62 0.33 1.48 1.04 -1.26 -1.58 113.70 115.28 1cb1 s SER 24 Ca 0.01 0.43 0.07 0.00 0.48 0.00 0.00 55.95 56.93 1cb1 s SER 24 Cb -0.07 -0.57 0.75 0.00 0.10 0.00 0.00 66.02 66.23 1cb1 s SER 24 CO 0.01 -3.05 1.85 0.11 0.98 0.00 0.00 173.24 173.13 1cb1 h LYS 25 N -1.86 0.74 0.80 4.02 1.57 -1.97 -0.12 116.57 119.76 1cb1 h LYS 25 Ca -0.45 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.25 1cb1 h LYS 25 Cb 1.26 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 33.41 1cb1 h LYS 25 CO 0.40 0.49 -0.38 0.93 -0.57 0.00 0.00 179.45 180.31 1cb1 h GLU 26 N 0.77 -1.03 -0.88 3.15 5.08 -1.99 0.13 114.58 119.81 1cb1 h GLU 26 Ca 0.48 0.07 0.09 0.00 -1.00 0.00 0.00 59.36 59.00 1cb1 h GLU 26 Cb 0.71 0.24 -0.07 0.00 0.50 0.00 0.00 28.75 30.12 1cb1 h GLU 26 CO -0.24 -0.69 0.53 0.93 -1.00 0.00 0.00 179.01 178.54 1cb1 h GLU 27 N -1.27 0.87 0.22 2.33 3.07 -1.88 -0.53 114.58 117.39 1cb1 h GLU 27 Ca -0.11 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.69 1cb1 h GLU 27 Cb 0.82 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 1cb1 h GLU 27 CO 0.18 0.58 -0.11 -0.07 -1.40 0.00 0.00 179.01 178.19 1cb1 h LEU 28 N 0.90 -0.25 -0.55 1.33 3.38 -0.95 0.45 115.31 119.62 1cb1 h LEU 28 Ca 0.41 -0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.45 1cb1 h LEU 28 Cb 0.33 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.03 1cb1 h LEU 28 CO -0.23 -0.12 -0.26 0.50 0.09 0.00 0.00 178.44 178.42 1cb1 h LYS 29 N -0.37 -0.12 0.25 1.13 1.63 0.03 0.18 116.57 119.30 1cb1 h LYS 29 Ca -0.03 0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1cb1 h LYS 29 Cb 0.28 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.90 1cb1 h LYS 29 CO 0.05 -0.08 -0.44 1.96 -3.45 0.00 0.00 179.45 177.50 1cb1 h GLN 30 N -0.12 -0.73 -0.55 1.90 4.20 -0.94 -1.00 115.11 117.87 1cb1 h GLN 30 Ca 0.24 0.05 0.06 0.00 0.06 0.00 0.00 58.65 59.06 1cb1 h GLN 30 Cb 0.51 0.17 -0.09 0.00 0.30 0.00 0.00 27.48 28.36 1cb1 h GLN 30 CO -0.62 -0.49 -0.57 1.25 -0.67 0.00 0.00 178.83 177.73 1cb1 h LEU 31 N -0.76 -1.94 0.16 1.46 5.85 0.73 0.49 115.31 121.31 1cb1 h LEU 31 Ca -0.01 0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1cb1 h LEU 31 Cb 0.73 0.81 -0.02 0.00 0.37 0.00 0.00 40.66 42.55 1cb1 h LEU 31 CO -0.17 -0.36 -0.30 0.40 -0.34 0.00 0.00 178.44 177.66 1cb1 h ILE 32 N -0.30 0.00 -0.50 4.05 1.08 -0.53 0.70 117.51 122.00 1cb1 h ILE 32 Ca 0.10 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.61 1cb1 h ILE 32 Cb 0.55 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.26 1cb1 h ILE 32 CO -0.68 0.00 0.25 1.56 -0.69 0.00 0.00 178.15 178.59 1cb1 h GLN 33 N -0.50 0.48 0.02 2.37 1.08 -1.08 0.90 115.11 118.38 1cb1 h GLN 33 Ca -0.02 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1cb1 h GLN 33 Cb 0.47 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1cb1 h GLN 33 CO -0.11 0.32 -0.01 0.00 -0.95 0.00 0.00 178.83 178.08 1cb1 h ALA 34 N 1.27 -0.02 0.05 3.87 0.00 -0.83 -3.38 119.26 120.21 1cb1 h ALA 34 Ca 0.22 -0.36 -0.31 0.00 0.00 0.00 0.00 54.91 54.46 1cb1 h ALA 34 Cb 0.12 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1cb1 h ALA 34 CO -0.15 -0.14 -1.77 0.93 0.00 0.00 0.00 179.25 178.13 1cb1 h GLU 35 N -0.77 0.11 -0.54 0.00 3.07 -0.88 -3.46 114.58 112.12 1cb1 h GLU 35 Ca -0.00 -0.19 -0.16 0.00 -0.50 0.00 0.00 59.36 58.51 1cb1 h GLU 35 Cb 0.72 0.07 -0.15 0.00 -0.84 0.00 0.00 28.75 28.55 1cb1 h GLU 35 CO 0.00 0.80 -0.45 1.97 -1.40 0.00 0.00 179.01 179.94 1cb1 n PHE 36 N -3.23 -3.31 0.27 4.33 1.16 0.20 -5.01 117.46 111.86 1cb1 n PHE 36 Ca -0.21 -1.42 0.01 0.00 -1.87 0.00 0.00 57.45 53.95 1cb1 n PHE 36 Cb 1.05 1.47 0.03 0.00 -1.61 0.00 0.00 39.48 40.43 1cb1 n PHE 36 CO 0.00 0.00 0.00 -0.35 -1.87 0.00 0.00 176.76 174.54 1cb1 n PRO 37 N 2.39 0.14 -3.80 3.97 -0.04 -0.52 -4.69 135.00 132.45 1cb1 n PRO 37 Ca 0.14 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.29 1cb1 n PRO 37 Cb 0.60 -1.13 -0.06 0.00 -0.04 0.00 0.00 33.50 32.86 1cb1 n PRO 37 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1cb1 n SER 38 N -0.63 -0.97 -4.35 3.54 7.64 -1.26 -0.83 113.62 116.75 1cb1 n SER 38 Ca 0.01 -0.94 -0.38 0.00 1.01 0.00 0.00 58.87 58.56 1cb1 n SER 38 Cb 0.00 -1.20 -0.05 0.00 -1.01 0.00 0.00 64.21 61.96 1cb1 n SER 38 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1cb1 n LEU 39 N -3.27 -1.33 -3.42 -3.43 4.77 -1.26 -4.65 117.00 104.41 1cb1 n LEU 39 Ca 0.03 -1.12 -0.35 0.00 -0.03 0.00 0.00 56.01 54.54 1cb1 n LEU 39 Cb 0.37 -1.87 -0.03 0.00 -2.33 0.00 0.00 43.42 39.57 1cb1 n LEU 39 CO 0.71 0.23 2.55 0.18 -1.33 0.00 0.00 177.39 179.73 1cb1 n LEU 40 N -4.26 5.78 -3.39 2.23 4.77 -0.01 -4.80 117.00 117.31 1cb1 n LEU 40 Ca 0.06 -3.39 -0.36 0.00 -0.03 0.00 0.00 56.01 52.29 1cb1 n LEU 40 Cb 0.49 -1.29 -0.02 0.00 -2.33 0.00 0.00 43.42 40.27 1cb1 n LEU 40 CO 0.90 0.71 2.91 1.17 -1.33 0.00 0.00 177.39 181.76 1cb1 n LYS 41 N 5.19 2.97 0.00 3.23 0.00 -1.26 -4.77 118.16 123.51 1cb1 n LYS 41 Ca 0.54 -2.08 0.00 0.00 0.00 0.00 0.00 58.31 56.76 1cb1 n LYS 41 Cb 0.27 -2.83 0.00 0.00 0.00 0.00 0.00 35.03 32.47 1cb1 n LYS 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1cb1 n GLY 42 N 3.81 0.94 2.42 3.14 0.00 -1.26 -4.93 105.19 109.32 1cb1 n GLY 42 Ca 0.63 -2.17 -0.04 0.00 0.00 0.00 0.00 46.02 44.44 1cb1 n GLY 42 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1cb1 n PRO 43 N -1.42 0.61 -0.08 1.61 -0.02 -1.26 -4.48 135.00 129.95 1cb1 n PRO 43 Ca 0.00 -0.36 -0.10 0.00 -2.02 0.00 0.00 63.50 61.01 1cb1 n PRO 43 Cb 0.00 -1.71 -0.04 0.00 -0.02 0.00 0.00 33.50 31.73 1cb1 n PRO 43 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1cb1 h ARG 44 N 5.44 0.40 0.00 -0.52 9.65 -1.91 -3.45 114.38 123.98 1cb1 h ARG 44 Ca 0.08 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1cb1 h ARG 44 Cb 0.37 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 1cb1 h ARG 44 CO 0.53 0.47 0.00 2.41 2.80 0.00 0.00 179.97 186.18 1cb1 n THR 45 N -4.74 0.00 0.00 0.20 -1.04 -1.26 -4.99 114.28 102.45 1cb1 n THR 45 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1cb1 n THR 45 Cb 0.16 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 1cb1 n THR 45 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1cb1 n LEU 46 N -2.94 0.00 -0.00 -4.42 7.94 -1.26 -0.97 117.00 115.35 1cb1 n LEU 46 Ca 0.00 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.92 1cb1 n LEU 46 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 1cb1 n LEU 46 CO 0.00 0.00 -0.25 -0.67 -1.11 0.00 0.00 177.39 175.36 1cb1 n ASP 47 N 0.00 1.85 0.00 1.96 2.03 -1.26 -4.73 116.55 116.40 1cb1 n ASP 47 Ca 0.00 -0.34 0.00 0.00 0.52 0.00 0.00 54.79 54.97 1cb1 n ASP 47 Cb 0.00 1.09 0.00 0.00 -0.72 0.00 0.00 41.12 41.49 1cb1 n ASP 47 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1cb1 n ASP 48 N -1.34 0.00 -0.08 1.67 2.03 -0.15 0.15 116.55 118.83 1cb1 n ASP 48 Ca 0.00 0.66 -0.07 0.00 0.52 0.00 0.00 54.79 55.90 1cb1 n ASP 48 Cb 0.09 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 1cb1 n ASP 48 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1cb1 h LEU 49 N 0.00 -0.09 -0.94 -2.67 3.38 -1.91 -1.16 115.31 111.93 1cb1 h LEU 49 Ca 0.00 0.06 0.17 0.00 0.09 0.00 0.00 57.88 58.21 1cb1 h LEU 49 Cb 0.00 0.11 -0.17 0.00 0.09 0.00 0.00 40.66 40.69 1cb1 h LEU 49 CO 0.00 -0.01 -0.28 0.15 0.09 0.00 0.00 178.44 178.39 1cb1 h PHE 50 N 0.11 -0.69 -0.21 1.13 3.04 -1.85 0.16 116.94 118.64 1cb1 h PHE 50 Ca 0.14 0.09 -0.07 0.00 3.98 0.00 0.00 57.97 62.11 1cb1 h PHE 50 Cb 0.18 0.45 -0.00 0.00 2.56 0.00 0.00 35.95 39.13 1cb1 h PHE 50 CO -0.21 -0.40 -0.15 0.37 -2.02 0.00 0.00 178.31 175.90 1cb1 h GLN 51 N -0.01 0.47 -0.92 1.11 -0.00 0.79 -2.59 115.11 113.97 1cb1 h GLN 51 Ca 0.41 -0.23 0.12 0.00 -0.00 0.00 0.00 58.65 58.95 1cb1 h GLN 51 Cb 0.66 -0.00 -0.07 0.00 0.00 0.00 0.00 27.48 28.06 1cb1 h GLN 51 CO -0.96 0.78 0.59 0.93 0.00 0.00 0.00 178.83 180.18 1cb1 h GLU 52 N 0.16 0.82 0.00 1.69 5.08 0.15 0.37 114.58 122.85 1cb1 h GLU 52 Ca 0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1cb1 h GLU 52 Cb 0.67 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1cb1 h GLU 52 CO 0.04 0.54 0.00 -0.07 -1.00 0.00 0.00 179.01 178.52 1cb1 h LEU 53 N 0.84 0.00 -4.45 1.33 3.38 -0.61 -3.35 115.31 112.45 1cb1 h LEU 53 Ca 0.45 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 58.11 1cb1 h LEU 53 Cb 0.55 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1cb1 h LEU 53 CO -0.21 0.00 1.00 -0.67 0.09 0.00 0.00 178.44 178.65 1cb1 n ASP 54 N -2.72 5.69 0.00 -0.43 2.03 0.12 -3.86 116.55 117.37 1cb1 n ASP 54 Ca 0.02 -2.41 0.00 0.00 0.52 0.00 0.00 54.79 52.92 1cb1 n ASP 54 Cb 0.35 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 1cb1 n ASP 54 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1cb1 n LYS 55 N 2.96 0.00 -0.79 -0.67 5.02 -1.09 -1.78 118.16 121.80 1cb1 n LYS 55 Ca 0.49 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.77 1cb1 n LYS 55 Cb 0.61 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.60 1cb1 n LYS 55 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1cb1 n ASN 56 N 0.00 -0.06 0.00 4.39 4.05 0.04 -5.01 115.26 118.67 1cb1 n ASN 56 Ca 0.00 -1.66 0.00 0.00 0.45 0.00 0.00 54.58 53.37 1cb1 n ASN 56 Cb 0.00 -0.03 0.00 0.00 1.23 0.00 0.00 39.78 40.98 1cb1 n ASN 56 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1cb1 n GLY 57 N 0.09 1.81 2.41 8.20 0.00 -0.74 -4.56 105.19 112.40 1cb1 n GLY 57 Ca -0.05 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 1cb1 n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cb1 n ASP 58 N 3.33 6.66 0.00 1.61 5.75 -1.26 -4.13 116.55 128.51 1cb1 n ASP 58 Ca 0.00 -3.07 0.00 0.00 -0.01 0.00 0.00 54.79 51.71 1cb1 n ASP 58 Cb 0.00 -1.29 0.00 0.00 -1.03 0.00 0.00 41.12 38.80 1cb1 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cb1 n GLY 59 N 1.36 2.00 0.00 6.12 0.00 -1.26 -5.09 105.19 108.32 1cb1 n GLY 59 Ca 0.52 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.73 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 3.24 -2.31 1.61 4.71 -1.26 -0.78 120.64 125.86 1cb1 n GLU 60 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.16 56.75 1cb1 n GLU 60 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.42 1cb1 n GLU 60 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1cb1 n VAL 61 N 0.00 3.46 -1.72 2.62 0.31 -0.61 -3.38 118.33 119.00 1cb1 n VAL 61 Ca 0.00 -3.49 -0.39 0.00 -0.01 0.00 0.00 64.34 60.44 1cb1 n VAL 61 Cb 0.00 -2.36 0.03 0.00 -0.91 0.00 0.00 33.84 30.61 1cb1 n VAL 61 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1cb1 n SER 62 N 8.98 2.47 -0.35 4.52 7.64 -1.26 -3.42 113.62 132.20 1cb1 n SER 62 Ca 0.49 1.00 0.10 0.00 1.01 0.00 0.00 58.87 61.47 1cb1 n SER 62 Cb 0.45 -1.54 0.21 0.00 -1.01 0.00 0.00 64.21 62.32 1cb1 n SER 62 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1cb1 n PHE 63 N -0.85 0.49 -0.26 1.43 7.35 0.36 -0.08 117.46 125.89 1cb1 n PHE 63 Ca 0.09 1.21 0.03 0.00 -0.76 0.00 0.00 57.45 58.02 1cb1 n PHE 63 Cb 0.43 -1.16 0.12 0.00 0.35 0.00 0.00 39.48 39.22 1cb1 n PHE 63 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1cb1 h GLU 64 N 0.00 0.03 0.03 -4.13 3.07 -1.89 -1.05 114.58 110.64 1cb1 h GLU 64 Ca 0.54 -0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 59.21 1cb1 h GLU 64 Cb 0.97 -0.01 0.02 0.00 -0.84 0.00 0.00 28.75 28.89 1cb1 h GLU 64 CO -0.98 0.02 -0.73 0.93 -1.40 0.00 0.00 179.01 176.85 1cb1 h GLU 65 N 0.03 0.45 -0.89 2.33 3.07 -0.82 -3.31 114.58 115.44 1cb1 h GLU 65 Ca 0.38 -0.52 0.24 0.00 -0.50 0.00 0.00 59.36 58.97 1cb1 h GLU 65 Cb 0.62 0.16 -0.15 0.00 -0.84 0.00 0.00 28.75 28.54 1cb1 h GLU 65 CO -0.73 1.17 0.20 0.35 -1.40 0.00 0.00 179.01 178.60 1cb1 h PHE 66 N -0.05 0.28 -0.95 4.33 3.57 0.34 0.35 116.94 124.81 1cb1 h PHE 66 Ca -0.10 0.05 0.29 0.00 3.53 0.00 0.00 57.97 61.74 1cb1 h PHE 66 Cb 1.45 0.02 -0.16 0.00 2.79 0.00 0.00 35.95 40.05 1cb1 h PHE 66 CO 0.15 -0.26 0.25 1.96 -2.23 0.00 0.00 178.31 178.17 1cb1 h GLN 67 N 0.16 0.11 -0.73 1.11 4.20 -1.40 0.37 115.11 118.93 1cb1 h GLN 67 Ca 0.56 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.26 1cb1 h GLN 67 Cb 1.16 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.88 1cb1 h GLN 67 CO -0.70 0.07 0.42 0.28 -0.67 0.00 0.00 178.83 178.23 1cb1 h VAL 68 N 0.11 1.22 -0.37 -0.54 2.07 -1.14 -1.09 116.25 116.51 1cb1 h VAL 68 Ca 0.64 -0.51 -0.12 0.00 0.82 0.00 0.00 66.70 67.52 1cb1 h VAL 68 Cb 1.41 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1cb1 h VAL 68 CO -0.76 0.23 -0.25 0.25 0.02 0.00 0.00 177.57 177.06 1cb1 h LEU 69 N 1.00 0.87 -0.71 2.57 5.85 -0.46 -2.97 115.31 121.47 1cb1 h LEU 69 Ca 0.26 -0.43 0.12 0.00 0.84 0.00 0.00 57.88 58.67 1cb1 h LEU 69 Cb 0.00 -0.24 -0.09 0.00 0.37 0.00 0.00 40.66 40.71 1cb1 h LEU 69 CO -0.05 1.11 0.28 0.58 -0.34 0.00 0.00 178.44 180.03 1cb1 h VAL 70 N 0.63 0.71 -0.21 1.05 2.07 -0.20 0.14 116.25 120.43 1cb1 h VAL 70 Ca 0.07 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.50 1cb1 h VAL 70 Cb 0.82 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1cb1 h VAL 70 CO 0.07 0.08 0.32 0.11 0.02 0.00 0.00 177.57 178.17 1cb1 h LYS 71 N 0.45 0.00 -0.01 1.57 1.79 -1.05 -0.27 116.57 119.05 1cb1 h LYS 71 Ca 0.37 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 1cb1 h LYS 71 Cb 0.52 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1cb1 h LYS 71 CO -0.36 0.00 -0.35 1.63 -1.08 0.00 0.00 179.45 179.29 1cb1 n LYS 72 N -3.47 0.59 -1.53 3.15 4.76 0.47 -4.62 118.16 117.50 1cb1 n LYS 72 Ca 0.03 -0.35 -0.45 0.00 -2.87 0.00 0.00 58.31 54.66 1cb1 n LYS 72 Cb 0.44 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 32.09 1cb1 n LYS 72 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1cb1 n ILE 73 N -0.90 0.22 -3.53 -0.18 2.08 -0.11 -0.53 119.36 116.41 1cb1 n ILE 73 Ca 0.10 -0.41 -0.26 0.00 0.56 0.00 0.00 62.75 62.74 1cb1 n ILE 73 Cb 0.35 -2.18 0.01 0.00 -0.75 0.00 0.00 39.64 37.06 1cb1 n ILE 73 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1cb1 n SER 74 N 11.44 -4.26 0.00 4.38 7.64 -1.26 -5.06 113.62 126.50 1cb1 n SER 74 Ca 0.36 -0.52 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1cb1 n SER 74 Cb 0.36 -3.47 0.00 0.00 -1.01 0.00 0.00 64.21 60.09 1cb1 n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03