#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 0.76 -3.00 -0.43 0.00 -2.11 -3.31 119.26 111.18 1cb1 h ALA -1 Ca 0.00 0.24 -0.62 0.00 0.00 0.00 0.00 54.91 54.52 1cb1 h ALA -1 Cb 0.00 0.41 -0.15 0.00 0.00 0.00 0.00 17.79 18.05 1cb1 h ALA -1 CO 0.00 -0.42 -0.47 -0.65 0.00 0.00 0.00 179.25 177.71 1cb1 s GLN 0 N -6.12 4.05 0.30 0.00 -0.21 -1.26 -4.88 119.66 111.53 1cb1 s GLN 0 Ca -0.13 -0.22 0.00 0.00 0.02 0.00 0.00 55.36 55.02 1cb1 s GLN 0 Cb 0.22 -3.58 0.00 0.00 1.00 0.00 0.00 33.01 30.65 1cb1 s GLN 0 CO 0.75 -0.03 0.00 1.63 -2.12 0.00 0.00 175.29 175.53 1cb1 n LYS 1 N 4.55 -5.48 -3.43 2.91 4.01 -1.24 -5.13 118.16 114.35 1cb1 n LYS 1 Ca -0.14 3.91 -0.12 0.00 -0.51 0.00 0.00 58.31 61.46 1cb1 n LYS 1 Cb 0.52 -4.26 -0.02 0.00 -0.51 0.00 0.00 35.03 30.76 1cb1 n LYS 1 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1cb1 s SER 2 N -1.24 -0.56 0.43 4.39 0.01 -1.26 0.72 113.70 116.19 1cb1 s SER 2 Ca 0.00 0.01 0.27 0.00 1.31 0.00 0.00 55.95 57.54 1cb1 s SER 2 Cb 0.00 0.59 1.34 0.00 0.21 0.00 0.00 66.02 68.16 1cb1 s SER 2 CO 0.00 -0.95 1.66 -0.65 0.41 0.00 0.00 173.24 173.71 1cb1 h PRO 3 N 2.01 0.15 -1.02 12.44 0.11 -2.00 0.49 132.00 144.18 1cb1 h PRO 3 Ca -0.33 -0.01 0.28 0.00 0.11 0.00 0.00 66.00 66.04 1cb1 h PRO 3 Cb 1.30 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.32 1cb1 h PRO 3 CO 0.38 0.10 0.70 0.00 -0.21 0.00 0.00 178.00 178.97 1cb1 h ALA 4 N 1.62 2.62 0.12 -0.75 0.00 -1.98 0.13 119.26 121.03 1cb1 h ALA 4 Ca 0.77 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.68 1cb1 h ALA 4 Cb 2.30 0.05 0.00 0.00 0.00 0.00 0.00 17.79 20.14 1cb1 h ALA 4 CO -0.40 -0.96 -0.06 1.49 0.00 0.00 0.00 179.25 179.32 1cb1 h GLU 5 N 0.19 -0.16 -0.89 0.00 4.81 -1.31 0.11 114.58 117.34 1cb1 h GLU 5 Ca 0.53 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.78 1cb1 h GLU 5 Cb 1.71 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 31.08 1cb1 h GLU 5 CO -0.13 0.16 0.58 -0.07 -0.73 0.00 0.00 179.01 178.83 1cb1 h LEU 6 N -0.49 1.00 -0.06 1.64 3.38 -1.08 -0.31 115.31 119.39 1cb1 h LEU 6 Ca -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1cb1 h LEU 6 Cb 0.39 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1cb1 h LEU 6 CO 0.03 0.71 0.04 0.50 0.09 0.00 0.00 178.44 179.81 1cb1 h LYS 7 N 1.18 0.08 -0.17 1.13 1.63 -0.74 0.14 116.57 119.82 1cb1 h LYS 7 Ca 0.33 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 60.16 1cb1 h LYS 7 Cb -0.10 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.49 1cb1 h LYS 7 CO -0.08 0.07 -0.00 0.77 -3.45 0.00 0.00 179.45 176.75 1cb1 h SER 8 N 0.06 -0.07 -0.26 4.20 0.02 -0.07 0.13 113.55 117.56 1cb1 h SER 8 Ca 0.02 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1cb1 h SER 8 Cb 0.01 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 1cb1 h SER 8 CO -0.00 -0.01 0.06 0.40 -1.14 0.00 0.00 176.83 176.13 1cb1 h ILE 9 N 0.05 0.89 -0.21 3.27 2.04 -0.86 0.69 117.51 123.37 1cb1 h ILE 9 Ca 0.08 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 65.94 1cb1 h ILE 9 Cb 0.10 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 1cb1 h ILE 9 CO -0.14 0.03 -0.11 0.15 0.00 0.00 0.00 178.15 178.08 1cb1 h PHE 10 N 0.16 -0.26 -0.23 1.37 3.04 -0.21 -0.93 116.94 119.88 1cb1 h PHE 10 Ca 0.12 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.11 1cb1 h PHE 10 Cb 0.12 0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.76 1cb1 h PHE 10 CO -0.16 -0.17 0.10 0.93 -2.02 0.00 0.00 178.31 177.00 1cb1 h GLU 11 N -0.09 0.21 -0.94 1.11 5.08 -0.27 0.22 114.58 119.91 1cb1 h GLU 11 Ca 0.12 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.59 1cb1 h GLU 11 Cb 0.26 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.38 1cb1 h GLU 11 CO -0.27 0.14 0.56 -0.22 -1.00 0.00 0.00 179.01 178.22 1cb1 h LYS 12 N 0.22 0.82 0.15 2.33 1.63 -0.33 0.95 116.57 122.34 1cb1 h LYS 12 Ca 0.10 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 1cb1 h LYS 12 Cb 0.04 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.48 1cb1 h LYS 12 CO -0.08 0.54 -0.07 1.88 -3.45 0.00 0.00 179.45 178.28 1cb1 h TYR 13 N 0.85 -0.18 -0.88 1.91 -1.99 -0.76 -3.33 116.97 112.59 1cb1 h TYR 13 Ca 0.48 -0.00 0.23 0.00 2.00 0.00 0.00 58.73 61.43 1cb1 h TYR 13 Cb 0.55 0.06 -0.13 0.00 2.00 0.00 0.00 36.73 39.21 1cb1 h TYR 13 CO -0.03 0.25 0.33 0.00 -0.00 0.00 0.00 178.16 178.71 1cb1 h ALA 14 N -0.37 1.37 0.00 3.88 0.00 -0.17 -0.13 119.26 123.83 1cb1 h ALA 14 Ca -0.02 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1cb1 h ALA 14 Cb 0.52 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1cb1 h ALA 14 CO 0.03 -0.40 0.27 0.00 0.00 0.00 0.00 179.25 179.15 1cb1 h ALA 15 N 1.73 1.24 -0.38 0.00 0.00 -0.93 0.16 119.26 121.09 1cb1 h ALA 15 Ca 0.55 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.34 1cb1 h ALA 15 Cb 1.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1cb1 h ALA 15 CO -0.57 -0.24 -0.25 0.87 0.00 0.00 0.00 179.25 179.06 1cb1 h LYS 16 N 0.00 0.78 -7.38 0.00 6.56 -1.19 -3.44 116.57 111.90 1cb1 h LYS 16 Ca 0.00 -0.32 -0.51 0.00 -1.06 0.00 0.00 60.65 58.76 1cb1 h LYS 16 Cb 0.54 -0.03 0.06 0.00 -0.57 0.00 0.00 32.23 32.23 1cb1 h LYS 16 CO 0.00 0.94 0.42 -1.21 -2.06 0.00 0.00 179.45 177.54 1cb1 s GLU 17 N -4.57 3.48 0.28 3.15 8.01 0.57 -4.97 118.70 124.65 1cb1 s GLU 17 Ca -0.09 0.71 0.02 0.00 0.01 0.00 0.00 54.97 55.62 1cb1 s GLU 17 Cb 0.13 -2.07 0.57 0.00 -4.31 0.00 0.00 34.13 28.45 1cb1 s GLU 17 CO 0.84 -0.64 1.83 0.78 0.01 0.00 0.00 175.26 178.08 1cb1 h GLY 18 N -0.37 1.66 -7.42 -1.39 0.00 -1.84 -3.37 103.07 90.33 1cb1 h GLY 18 Ca -0.44 -0.42 -0.72 0.00 0.00 0.00 0.00 47.33 45.75 1cb1 h GLY 18 CO 0.62 0.15 -0.36 -0.35 0.00 0.00 0.00 176.54 176.60 1cb1 s ASP 19 N -5.67 6.14 0.00 0.19 -1.08 -1.26 -4.96 116.67 110.02 1cb1 s ASP 19 Ca -0.12 -0.99 0.09 0.00 -0.52 0.00 0.00 52.55 51.00 1cb1 s ASP 19 Cb 0.22 -2.18 0.49 0.00 -1.46 0.00 0.00 42.92 40.00 1cb1 s ASP 19 CO 0.81 -0.54 1.00 -0.81 0.52 0.00 0.00 175.17 176.15 1cb1 n PRO 20 N 5.26 0.24 -0.17 4.34 -0.04 -1.26 -2.07 135.00 141.30 1cb1 n PRO 20 Ca -0.11 0.05 0.11 0.00 -0.04 0.00 0.00 63.50 63.51 1cb1 n PRO 20 Cb 0.46 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.06 2.90 -3.93 3.54 5.15 -1.26 -4.43 115.26 116.17 1cb1 n ASN 21 Ca 0.06 -1.92 -0.09 0.00 -0.60 0.00 0.00 54.58 52.04 1cb1 n ASN 21 Cb 0.04 -0.22 -0.08 0.00 -0.53 0.00 0.00 39.78 38.98 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 -1.56 0.72 0.19 1.20 -0.21 -0.88 -0.64 119.66 118.49 1cb1 s GLN 22 Ca 0.37 -0.96 0.10 0.00 0.02 0.00 0.00 55.36 54.89 1cb1 s GLN 22 Cb 0.21 0.28 -0.04 0.00 1.00 0.00 0.00 33.01 34.46 1cb1 s GLN 22 CO 0.29 -0.20 -0.22 -0.48 -2.12 0.00 0.00 175.29 172.57 1cb1 s LEU 23 N -2.68 2.44 0.76 2.90 0.05 -0.32 -4.19 118.68 117.65 1cb1 s LEU 23 Ca 0.03 -0.87 -0.11 0.00 0.05 0.00 0.00 54.13 53.22 1cb1 s LEU 23 Cb 0.04 -1.05 0.05 0.00 -2.05 0.00 0.00 46.19 43.18 1cb1 s LEU 23 CO -0.09 0.07 1.09 -0.94 -0.55 0.00 0.00 176.35 175.93 1cb1 s SER 24 N -2.71 4.85 0.22 1.48 1.04 -1.26 -0.40 113.70 116.93 1cb1 s SER 24 Ca 0.19 1.28 -0.09 0.00 0.48 0.00 0.00 55.95 57.82 1cb1 s SER 24 Cb -0.07 -2.05 0.36 0.00 0.10 0.00 0.00 66.02 64.35 1cb1 s SER 24 CO 0.09 -1.74 1.67 0.50 0.98 0.00 0.00 173.24 174.74 1cb1 h LYS 25 N -0.93 0.16 0.32 4.02 3.64 -0.84 0.32 116.57 123.26 1cb1 h LYS 25 Ca -0.46 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 1cb1 h LYS 25 Cb 1.26 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1cb1 h LYS 25 CO 0.60 0.10 -0.17 0.93 -2.27 0.00 0.00 179.45 178.64 1cb1 h GLU 26 N 0.16 -0.44 -0.70 1.90 3.07 -1.93 0.04 114.58 116.68 1cb1 h GLU 26 Ca 0.36 0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.24 1cb1 h GLU 26 Cb 0.59 0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.57 1cb1 h GLU 26 CO -0.53 -0.30 0.42 0.93 -1.40 0.00 0.00 179.01 178.13 1cb1 h GLU 27 N -0.46 0.94 0.23 2.33 4.39 -1.71 0.12 114.58 120.42 1cb1 h GLU 27 Ca -0.04 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1cb1 h GLU 27 Cb 0.37 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1cb1 h GLU 27 CO 0.05 0.66 -0.11 1.37 -1.16 0.00 0.00 179.01 179.82 1cb1 h LEU 28 N 0.96 -0.26 -0.46 1.33 8.10 -0.05 0.34 115.31 125.26 1cb1 h LEU 28 Ca 0.25 -0.13 0.09 0.00 0.11 0.00 0.00 57.88 58.21 1cb1 h LEU 28 Cb -0.04 0.07 -0.10 0.00 -0.44 0.00 0.00 40.66 40.15 1cb1 h LEU 28 CO -0.05 -0.03 -0.21 0.50 -4.11 0.00 0.00 178.44 174.55 1cb1 h LYS 29 N -0.49 -0.11 -0.17 0.17 1.63 -0.63 0.40 116.57 117.38 1cb1 h LYS 29 Ca -0.03 0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.82 1cb1 h LYS 29 Cb 0.37 0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 31.97 1cb1 h LYS 29 CO 0.05 -0.07 -0.15 1.96 -3.45 0.00 0.00 179.45 177.79 1cb1 h GLN 30 N -0.11 -0.16 -0.64 1.90 4.20 -0.77 -1.09 115.11 118.44 1cb1 h GLN 30 Ca 0.22 0.01 0.13 0.00 0.06 0.00 0.00 58.65 59.07 1cb1 h GLN 30 Cb 0.45 0.04 -0.12 0.00 0.30 0.00 0.00 27.48 28.15 1cb1 h GLN 30 CO -0.53 -0.11 -0.17 1.25 -0.67 0.00 0.00 178.83 178.60 1cb1 h LEU 31 N -0.17 -0.63 0.19 1.46 6.46 0.10 0.21 115.31 122.94 1cb1 h LEU 31 Ca 0.11 0.20 0.01 0.00 -0.12 0.00 0.00 57.88 58.07 1cb1 h LEU 31 Cb 0.33 0.41 -0.04 0.00 -0.73 0.00 0.00 40.66 40.62 1cb1 h LEU 31 CO -0.27 -0.22 -0.47 0.40 -0.62 0.00 0.00 178.44 177.26 1cb1 h ILE 32 N -0.01 0.08 -0.31 4.05 1.08 0.03 0.13 117.51 122.56 1cb1 h ILE 32 Ca 0.30 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.76 1cb1 h ILE 32 Cb 0.48 0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 34.29 1cb1 h ILE 32 CO -0.66 0.00 0.14 1.56 -0.69 0.00 0.00 178.15 178.50 1cb1 h GLN 33 N -0.75 0.42 0.01 2.37 1.08 -0.53 0.25 115.11 117.95 1cb1 h GLN 33 Ca -0.00 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1cb1 h GLN 33 Cb 0.75 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.09 1cb1 h GLN 33 CO -0.23 0.33 -0.00 0.00 -0.95 0.00 0.00 178.83 177.98 1cb1 h ALA 34 N 1.74 -0.01 0.08 3.87 0.00 -0.13 -3.35 119.26 121.45 1cb1 h ALA 34 Ca 0.11 -0.42 -0.34 0.00 0.00 0.00 0.00 54.91 54.26 1cb1 h ALA 34 Cb 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1cb1 h ALA 34 CO -0.02 -0.05 -1.91 0.39 0.00 0.00 0.00 179.25 177.66 1cb1 n GLU 35 N -4.67 0.71 -2.92 0.00 -0.58 0.40 -4.77 120.64 108.81 1cb1 n GLU 35 Ca -0.09 0.27 -0.13 0.00 -0.42 0.00 0.00 57.16 56.79 1cb1 n GLU 35 Cb 0.41 -1.73 0.03 0.00 -0.57 0.00 0.00 31.44 29.57 1cb1 n GLU 35 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 1cb1 n PHE 36 N -3.31 -1.86 -1.49 -0.32 -1.74 0.72 -5.07 117.46 104.40 1cb1 n PHE 36 Ca -0.27 -2.67 -0.48 0.00 -0.56 0.00 0.00 57.45 53.47 1cb1 n PHE 36 Cb 1.05 0.82 -0.06 0.00 1.52 0.00 0.00 39.48 42.80 1cb1 n PHE 36 CO 0.00 0.00 0.00 -0.35 -0.56 0.00 0.00 176.76 175.85 1cb1 n PRO 37 N 0.81 1.25 -1.40 3.97 -0.04 -0.29 -1.74 135.00 137.54 1cb1 n PRO 37 Ca 0.14 0.32 -0.14 0.00 -0.04 0.00 0.00 63.50 63.78 1cb1 n PRO 37 Cb 0.65 -2.67 -0.06 0.00 -0.04 0.00 0.00 33.50 31.37 1cb1 n PRO 37 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1cb1 n SER 38 N 10.67 -5.64 -2.12 3.54 2.88 -1.26 -4.86 113.62 116.83 1cb1 n SER 38 Ca 0.39 0.35 -0.17 0.00 -1.33 0.00 0.00 58.87 58.11 1cb1 n SER 38 Cb 0.29 -4.40 -0.10 0.00 -0.75 0.00 0.00 64.21 59.25 1cb1 n SER 38 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1cb1 n LEU 39 N -1.60 5.76 -3.05 2.46 4.77 -0.71 -3.29 117.00 121.34 1cb1 n LEU 39 Ca -0.14 -3.44 -0.22 0.00 -0.03 0.00 0.00 56.01 52.19 1cb1 n LEU 39 Cb 0.62 -1.31 -0.03 0.00 -2.33 0.00 0.00 43.42 40.38 1cb1 n LEU 39 CO 0.21 1.62 -0.06 0.18 -1.33 0.00 0.00 177.39 178.02 1cb1 n LEU 40 N 1.70 2.47 0.00 2.23 4.77 -1.26 -0.78 117.00 126.13 1cb1 n LEU 40 Ca 0.41 -5.26 0.00 0.00 -0.03 0.00 0.00 56.01 51.12 1cb1 n LEU 40 Cb 0.73 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 1cb1 n LEU 40 CO 0.20 2.30 0.00 0.29 -1.33 0.00 0.00 177.39 178.85 1cb1 n LYS 41 N 0.03 -0.44 0.00 3.23 4.01 -1.26 -4.55 118.16 119.18 1cb1 n LYS 41 Ca 0.27 0.11 0.00 0.00 -0.51 0.00 0.00 58.31 58.18 1cb1 n LYS 41 Cb 0.55 -4.41 0.00 0.00 -0.51 0.00 0.00 35.03 30.66 1cb1 n LYS 41 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1cb1 n GLY 42 N -1.36 1.32 2.70 0.72 0.00 -1.21 -4.95 105.19 102.41 1cb1 n GLY 42 Ca 0.00 -1.93 -0.38 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.98 2.58 0.00 1.61 -0.04 -1.26 -4.45 135.00 131.46 1cb1 n PRO 43 Ca 0.00 -2.11 0.00 0.00 -0.04 0.00 0.00 63.50 61.35 1cb1 n PRO 43 Cb 0.00 -2.93 0.00 0.00 -0.04 0.00 0.00 33.50 30.53 1cb1 n PRO 43 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1cb1 n ARG 44 N 5.37 0.00 -0.63 0.54 1.74 -1.26 -4.94 116.66 117.48 1cb1 n ARG 44 Ca 0.56 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.51 1cb1 n ARG 44 Cb 0.31 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.69 1cb1 n ARG 44 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1cb1 n THR 45 N 0.00 1.99 0.10 0.55 -1.04 -1.26 -4.40 114.28 110.21 1cb1 n THR 45 Ca 0.00 -1.10 -0.02 0.00 -2.04 0.00 0.00 64.05 60.89 1cb1 n THR 45 Cb 0.00 -1.93 0.23 0.00 -1.82 0.00 0.00 70.33 66.81 1cb1 n THR 45 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1cb1 h LEU 46 N 6.77 0.24 -6.00 -4.42 4.07 -1.91 -3.41 115.31 110.64 1cb1 h LEU 46 Ca 0.28 -0.10 0.07 0.00 0.08 0.00 0.00 57.88 58.21 1cb1 h LEU 46 Cb 0.53 -0.07 -0.20 0.00 1.08 0.00 0.00 40.66 42.00 1cb1 h LEU 46 CO 0.84 0.63 -0.30 1.51 -1.08 0.00 0.00 178.44 180.05 1cb1 s ASP 47 N -6.88 -1.36 0.38 -0.43 -4.77 -1.26 -4.85 116.67 97.50 1cb1 s ASP 47 Ca -0.04 0.16 0.00 0.00 -3.30 0.00 0.00 52.55 49.37 1cb1 s ASP 47 Cb 0.13 1.86 0.00 0.00 -1.09 0.00 0.00 42.92 43.83 1cb1 s ASP 47 CO 0.77 -0.25 0.00 -0.67 0.70 0.00 0.00 175.17 175.72 1cb1 n ASP 48 N 5.35 -3.42 -0.06 2.11 2.03 -1.26 -4.84 116.55 116.46 1cb1 n ASP 48 Ca 0.06 0.74 0.15 0.00 0.52 0.00 0.00 54.79 56.26 1cb1 n ASP 48 Cb 0.55 3.27 0.57 0.00 -0.72 0.00 0.00 41.12 44.79 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 0.23 -0.88 -2.67 8.10 -1.93 0.54 115.31 118.71 1cb1 h LEU 49 Ca 0.00 0.01 0.29 0.00 0.11 0.00 0.00 57.88 58.29 1cb1 h LEU 49 Cb 0.00 -0.04 -0.16 0.00 -0.44 0.00 0.00 40.66 40.02 1cb1 h LEU 49 CO 0.00 0.13 0.19 2.22 -4.11 0.00 0.00 178.44 176.88 1cb1 n PHE 50 N -4.45 0.74 -0.18 0.17 1.16 -1.26 -0.21 117.46 113.43 1cb1 n PHE 50 Ca 0.10 1.05 0.15 0.00 -1.87 0.00 0.00 57.45 56.87 1cb1 n PHE 50 Cb 0.47 -1.27 0.48 0.00 -1.61 0.00 0.00 39.48 37.55 1cb1 n PHE 50 CO 0.00 0.00 0.00 0.37 -1.87 0.00 0.00 176.76 175.26 1cb1 h GLN 51 N 0.00 0.45 -0.00 3.97 4.15 -1.22 0.30 115.11 122.75 1cb1 h GLN 51 Ca 0.61 -0.03 -0.12 0.00 0.77 0.00 0.00 58.65 59.88 1cb1 h GLN 51 Cb 1.43 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 29.00 1cb1 h GLN 51 CO -0.77 0.30 -0.58 0.93 -1.93 0.00 0.00 178.83 176.77 1cb1 h GLU 52 N 0.46 0.00 0.00 1.69 5.08 -0.76 -3.09 114.58 117.96 1cb1 h GLU 52 Ca 0.38 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.65 1cb1 h GLU 52 Cb 0.81 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1cb1 h GLU 52 CO -0.13 0.59 -0.87 -0.07 -1.00 0.00 0.00 179.01 177.53 1cb1 h LEU 53 N 0.00 0.00 -6.60 1.33 3.38 -0.59 -3.41 115.31 109.43 1cb1 h LEU 53 Ca -0.01 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.33 1cb1 h LEU 53 Cb 1.03 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.84 1cb1 h LEU 53 CO 0.08 0.31 2.15 -0.67 0.09 0.00 0.00 178.44 180.39 1cb1 n ASP 54 N -2.94 2.37 -0.39 -0.43 2.03 0.62 -3.88 116.55 113.92 1cb1 n ASP 54 Ca -0.02 -2.66 0.33 0.00 0.52 0.00 0.00 54.79 52.96 1cb1 n ASP 54 Cb 0.68 -1.07 0.63 0.00 -0.72 0.00 0.00 41.12 40.65 1cb1 n ASP 54 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1cb1 h LYS 55 N 8.20 0.17 0.00 -0.67 3.64 -1.81 0.12 116.57 126.22 1cb1 h LYS 55 Ca 0.40 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1cb1 h LYS 55 Cb 0.68 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1cb1 h LYS 55 CO 1.94 0.11 0.00 -0.91 -2.27 0.00 0.00 179.45 178.32 1cb1 h ASN 56 N 0.17 0.00 -5.41 4.20 4.21 -1.90 -3.48 115.58 113.38 1cb1 h ASN 56 Ca 0.69 0.00 -0.26 0.00 1.21 0.00 0.00 56.30 57.94 1cb1 h ASN 56 Cb 2.22 0.00 0.19 0.00 -1.12 0.00 0.00 38.32 39.60 1cb1 h ASN 56 CO -0.26 0.00 -0.81 0.61 -1.29 0.00 0.00 177.43 175.68 1cb1 n GLY 57 N 0.33 -0.93 1.38 2.83 0.00 0.42 -4.90 105.19 104.32 1cb1 n GLY 57 Ca 0.02 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1cb1 n GLY 57 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cb1 n ASP 58 N -3.15 0.00 -2.65 1.61 2.03 -1.26 -5.08 116.55 108.05 1cb1 n ASP 58 Ca -0.12 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.17 1cb1 n ASP 58 Cb 0.63 0.30 0.05 0.00 -0.72 0.00 0.00 41.12 41.38 1cb1 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cb1 n GLY 59 N -0.96 -1.53 3.36 0.27 0.00 -1.26 -5.05 105.19 100.02 1cb1 n GLY 59 Ca 0.00 0.58 -0.21 0.00 0.00 0.00 0.00 46.02 46.39 1cb1 n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cb1 s GLU 60 N 0.00 1.72 -0.24 1.61 0.41 -1.26 -0.12 118.70 120.82 1cb1 s GLU 60 Ca 0.12 -2.01 -0.07 0.00 -0.41 0.00 0.00 54.97 52.60 1cb1 s GLU 60 Cb 0.17 -0.10 0.11 0.00 -1.78 0.00 0.00 34.13 32.54 1cb1 s GLU 60 CO -0.13 -0.52 0.50 0.08 -0.49 0.00 0.00 175.26 174.70 1cb1 s VAL 61 N -3.47 -0.78 0.37 2.63 1.01 0.47 -3.52 120.40 117.11 1cb1 s VAL 61 Ca 0.34 0.08 -0.25 0.00 0.00 0.00 0.00 61.98 62.15 1cb1 s VAL 61 Cb 0.04 -0.81 -0.09 0.00 0.00 0.00 0.00 36.38 35.52 1cb1 s VAL 61 CO 0.20 0.03 1.05 -0.44 0.00 0.00 0.00 175.10 175.94 1cb1 s SER 62 N 2.71 6.88 0.21 3.32 0.01 -1.25 -1.18 113.70 124.40 1cb1 s SER 62 Ca 0.00 2.08 -0.12 0.00 1.31 0.00 0.00 55.95 59.22 1cb1 s SER 62 Cb -0.13 -2.59 0.27 0.00 0.21 0.00 0.00 66.02 63.78 1cb1 s SER 62 CO -0.16 -0.41 1.66 0.15 0.41 0.00 0.00 173.24 174.90 1cb1 h PHE 63 N 2.78 -0.07 -0.78 2.43 3.57 -1.26 0.16 116.94 123.78 1cb1 h PHE 63 Ca -0.48 0.04 0.18 0.00 3.53 0.00 0.00 57.97 61.25 1cb1 h PHE 63 Cb 1.21 0.12 -0.12 0.00 2.79 0.00 0.00 35.95 39.96 1cb1 h PHE 63 CO 0.58 -0.17 0.18 0.93 -2.23 0.00 0.00 178.31 177.60 1cb1 h GLU 64 N 0.10 0.24 0.21 1.11 3.07 -1.93 -1.31 114.58 116.06 1cb1 h GLU 64 Ca 0.31 -0.01 -0.32 0.00 -0.50 0.00 0.00 59.36 58.83 1cb1 h GLU 64 Cb 0.49 -0.05 0.03 0.00 -0.84 0.00 0.00 28.75 28.38 1cb1 h GLU 64 CO -0.52 0.16 -1.40 0.93 -1.40 0.00 0.00 179.01 176.78 1cb1 h GLU 65 N 0.25 0.56 -1.04 2.33 4.39 -1.56 -3.29 114.58 116.21 1cb1 h GLU 65 Ca 0.45 -0.88 0.27 0.00 0.34 0.00 0.00 59.36 59.54 1cb1 h GLU 65 Cb 0.81 0.32 -0.11 0.00 -0.10 0.00 0.00 28.75 29.66 1cb1 h GLU 65 CO -0.56 1.41 0.64 0.35 -1.16 0.00 0.00 179.01 179.70 1cb1 h PHE 66 N 0.19 0.83 -1.03 4.33 3.57 0.39 0.11 116.94 125.33 1cb1 h PHE 66 Ca -0.23 0.03 0.30 0.00 3.53 0.00 0.00 57.97 61.60 1cb1 h PHE 66 Cb 2.08 -0.23 -0.13 0.00 2.79 0.00 0.00 35.95 40.46 1cb1 h PHE 66 CO 0.12 0.02 0.61 1.96 -2.23 0.00 0.00 178.31 178.80 1cb1 h GLN 67 N 0.45 0.39 0.13 1.11 4.20 -1.48 0.17 115.11 120.08 1cb1 h GLN 67 Ca 0.64 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.32 1cb1 h GLN 67 Cb 1.47 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.16 1cb1 h GLN 67 CO -0.41 0.26 -0.06 0.28 -0.67 0.00 0.00 178.83 178.23 1cb1 h VAL 68 N 0.40 0.89 -0.80 -0.54 2.07 -0.99 -0.26 116.25 117.03 1cb1 h VAL 68 Ca 0.69 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 68.20 1cb1 h VAL 68 Cb 1.56 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 32.21 1cb1 h VAL 68 CO -0.51 0.02 0.48 0.25 0.02 0.00 0.00 177.57 177.83 1cb1 h LEU 69 N -0.21 0.74 -0.39 2.57 5.85 -0.85 0.06 115.31 123.08 1cb1 h LEU 69 Ca -0.02 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.77 1cb1 h LEU 69 Cb 0.16 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1cb1 h LEU 69 CO 0.03 0.47 0.16 0.58 -0.34 0.00 0.00 178.44 179.33 1cb1 h VAL 70 N 0.87 0.92 -0.89 1.05 2.07 -0.56 -1.00 116.25 118.70 1cb1 h VAL 70 Ca 0.35 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.79 1cb1 h VAL 70 Cb 0.19 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 1cb1 h VAL 70 CO -0.18 0.06 0.59 0.11 0.02 0.00 0.00 177.57 178.17 1cb1 h LYS 71 N 0.33 1.11 0.00 1.57 1.79 0.31 -2.04 116.57 119.65 1cb1 h LYS 71 Ca 0.17 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1cb1 h LYS 71 Cb 0.13 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 30.53 1cb1 h LYS 71 CO -0.16 0.74 0.00 0.87 -1.08 0.00 0.00 179.45 179.82 1cb1 h LYS 72 N 1.15 0.00 -5.34 3.15 1.79 0.28 -3.36 116.57 114.24 1cb1 h LYS 72 Ca 0.35 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 58.35 1cb1 h LYS 72 Cb -0.03 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.59 1cb1 h LYS 72 CO -0.10 0.00 1.66 -0.89 -1.08 0.00 0.00 179.45 179.04 1cb1 n ILE 73 N -2.50 -0.05 -4.28 1.86 5.41 -0.77 -1.11 119.36 117.93 1cb1 n ILE 73 Ca 0.00 -0.46 -0.38 0.00 1.00 0.00 0.00 62.75 62.92 1cb1 n ILE 73 Cb 0.18 -1.79 -0.05 0.00 -0.71 0.00 0.00 39.64 37.28 1cb1 n ILE 73 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1cb1 n SER 74 N 13.61 -2.67 0.00 4.38 7.64 0.04 -5.02 113.62 131.60 1cb1 n SER 74 Ca 0.50 -1.04 0.00 0.00 1.01 0.00 0.00 58.87 59.34 1cb1 n SER 74 Cb 0.33 -2.24 0.00 0.00 -1.01 0.00 0.00 64.21 61.29 1cb1 n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03