#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cb1 s ALA -1 N 0.00 3.20 0.01 -0.43 0.00 -1.26 -5.00 121.76 118.28 1cb1 s ALA -1 Ca 0.00 1.26 -0.30 0.00 0.00 0.00 0.00 51.96 52.92 1cb1 s ALA -1 Cb 0.00 -3.50 0.11 0.00 0.00 0.00 0.00 23.12 19.73 1cb1 s ALA -1 CO 0.00 -0.92 1.21 1.14 0.00 0.00 0.00 175.76 177.19 1cb1 s GLN 0 N -2.36 0.56 -0.25 0.00 1.03 -1.26 -5.14 119.66 112.25 1cb1 s GLN 0 Ca 0.59 -0.30 -0.11 0.00 0.04 0.00 0.00 55.36 55.58 1cb1 s GLN 0 Cb -0.39 0.20 -0.05 0.00 0.03 0.00 0.00 33.01 32.80 1cb1 s GLN 0 CO 0.49 -0.26 0.19 0.15 -2.54 0.00 0.00 175.29 173.32 1cb1 s LYS 1 N -2.61 4.04 0.47 9.60 -0.14 -1.26 -5.08 119.74 124.75 1cb1 s LYS 1 Ca 0.13 -0.25 -0.21 0.00 -1.36 0.00 0.00 55.97 54.28 1cb1 s LYS 1 Cb 0.03 -3.58 -0.09 0.00 -1.68 0.00 0.00 37.83 32.51 1cb1 s LYS 1 CO -0.03 -0.02 1.03 -1.12 -0.76 0.00 0.00 175.35 174.45 1cb1 s SER 2 N 1.28 6.46 0.18 2.83 0.01 -1.26 -4.84 113.70 118.35 1cb1 s SER 2 Ca 0.08 1.90 -0.19 0.00 1.31 0.00 0.00 55.95 59.05 1cb1 s SER 2 Cb -0.14 -2.56 0.11 0.00 0.21 0.00 0.00 66.02 63.64 1cb1 s SER 2 CO 0.07 -0.70 1.62 -0.65 0.41 0.00 0.00 173.24 173.99 1cb1 h PRO 3 N 1.69 -0.13 -0.32 12.44 0.11 -1.99 0.87 132.00 144.67 1cb1 h PRO 3 Ca -0.49 0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.63 1cb1 h PRO 3 Cb 1.21 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1cb1 h PRO 3 CO 0.60 -0.09 0.21 0.00 -0.21 0.00 0.00 178.00 178.51 1cb1 h ALA 4 N 1.12 1.79 0.17 -0.75 0.00 -1.98 0.62 119.26 120.23 1cb1 h ALA 4 Ca 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1cb1 h ALA 4 Cb 0.46 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1cb1 h ALA 4 CO -0.52 0.19 -0.08 1.49 0.00 0.00 0.00 179.25 180.33 1cb1 h GLU 5 N 0.42 -0.22 -0.67 0.00 4.81 -1.53 0.89 114.58 118.29 1cb1 h GLU 5 Ca 0.12 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.44 1cb1 h GLU 5 Cb -0.03 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.34 1cb1 h GLU 5 CO -0.03 0.15 0.34 -0.07 -0.73 0.00 0.00 179.01 178.67 1cb1 h LEU 6 N -0.63 0.45 0.36 1.64 3.38 -0.37 0.60 115.31 120.74 1cb1 h LEU 6 Ca -0.02 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1cb1 h LEU 6 Cb 0.47 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1cb1 h LEU 6 CO 0.04 0.27 -0.22 0.50 0.09 0.00 0.00 178.44 179.13 1cb1 h LYS 7 N 0.59 -0.53 0.06 1.13 3.64 -0.82 0.16 116.57 120.81 1cb1 h LYS 7 Ca 0.32 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.76 1cb1 h LYS 7 Cb 0.30 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 1cb1 h LYS 7 CO -0.24 -0.35 -0.25 0.77 -2.27 0.00 0.00 179.45 177.11 1cb1 h SER 8 N -0.55 -0.72 0.08 4.20 0.02 -0.15 0.67 113.55 117.10 1cb1 h SER 8 Ca -0.04 0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1cb1 h SER 8 Cb 0.45 0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 1cb1 h SER 8 CO 0.04 -0.33 -0.12 0.40 -1.14 0.00 0.00 176.83 175.68 1cb1 h ILE 9 N -0.42 0.71 -0.55 3.27 2.04 -0.85 -0.83 117.51 120.88 1cb1 h ILE 9 Ca 0.04 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.01 1cb1 h ILE 9 Cb 0.47 0.71 -0.11 0.00 -0.74 0.00 0.00 36.82 37.16 1cb1 h ILE 9 CO -0.18 0.00 -0.21 0.15 0.00 0.00 0.00 178.15 177.91 1cb1 h PHE 10 N -0.25 -0.53 0.13 1.37 3.57 -0.29 0.33 116.94 121.27 1cb1 h PHE 10 Ca 0.02 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1cb1 h PHE 10 Cb 0.26 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1cb1 h PHE 10 CO -0.15 -0.30 -0.09 0.93 -2.23 0.00 0.00 178.31 176.47 1cb1 h GLU 11 N -0.08 -0.22 -0.32 1.11 5.08 -0.49 0.21 114.58 119.88 1cb1 h GLU 11 Ca 0.26 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.66 1cb1 h GLU 11 Cb 0.48 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1cb1 h GLU 11 CO -0.61 -0.14 0.21 0.87 -1.00 0.00 0.00 179.01 178.34 1cb1 h LYS 12 N -0.22 0.28 0.12 2.33 1.79 -0.14 0.38 116.57 121.11 1cb1 h LYS 12 Ca -0.01 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 1cb1 h LYS 12 Cb 0.20 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1cb1 h LYS 12 CO -0.00 0.19 -0.06 -0.92 -1.08 0.00 0.00 179.45 177.57 1cb1 h TYR 13 N 0.29 -0.15 -0.79 -1.35 3.20 0.12 -3.22 116.97 115.06 1cb1 h TYR 13 Ca 0.13 -0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.18 1cb1 h TYR 13 Cb 0.17 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.44 1cb1 h TYR 13 CO -0.00 0.33 0.54 0.00 -1.64 0.00 0.00 178.16 177.39 1cb1 h ALA 14 N -0.22 2.33 -0.02 1.82 0.00 -0.21 -0.50 119.26 122.45 1cb1 h ALA 14 Ca -0.02 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1cb1 h ALA 14 Cb 0.55 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1cb1 h ALA 14 CO 0.03 -0.56 0.37 0.00 0.00 0.00 0.00 179.25 179.09 1cb1 h ALA 15 N 1.63 1.40 0.00 0.00 0.00 -0.93 0.24 119.26 121.59 1cb1 h ALA 15 Ca 0.39 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.27 1cb1 h ALA 15 Cb 1.12 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1cb1 h ALA 15 CO -0.10 -0.37 -0.17 0.87 0.00 0.00 0.00 179.25 179.47 1cb1 h LYS 16 N 0.00 0.00 -6.63 0.00 1.57 -1.25 -3.43 116.57 106.83 1cb1 h LYS 16 Ca 0.01 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.33 1cb1 h LYS 16 Cb 0.74 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.07 1cb1 h LYS 16 CO -0.00 0.17 -0.14 -1.21 -0.57 0.00 0.00 179.45 177.71 1cb1 s GLU 17 N -4.62 3.08 0.00 3.15 2.02 0.83 -4.98 118.70 118.18 1cb1 s GLU 17 Ca -0.04 -0.57 -0.02 0.00 0.02 0.00 0.00 54.97 54.37 1cb1 s GLU 17 Cb 0.16 -2.60 -0.08 0.00 0.10 0.00 0.00 34.13 31.70 1cb1 s GLU 17 CO 0.69 -0.21 1.86 0.41 0.02 0.00 0.00 175.26 178.03 1cb1 n GLY 18 N -2.00 2.03 0.00 -1.39 0.00 -1.26 -4.40 105.19 98.17 1cb1 n GLY 18 Ca 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1cb1 n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cb1 n ASP 19 N 2.11 0.00 -2.05 1.61 2.03 -1.26 -5.06 116.55 113.94 1cb1 n ASP 19 Ca 0.12 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.35 1cb1 n ASP 19 Cb 0.45 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.74 1cb1 n ASP 19 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1cb1 n PRO 20 N 0.00 1.43 0.00 -0.67 -0.04 -1.26 -3.13 135.00 131.33 1cb1 n PRO 20 Ca 0.00 -0.66 0.00 0.00 -0.04 0.00 0.00 63.50 62.80 1cb1 n PRO 20 Cb 0.00 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 1cb1 n PRO 20 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1cb1 n ASN 21 N 2.48 0.00 -3.89 3.54 3.02 -1.26 -4.55 115.26 114.59 1cb1 n ASN 21 Ca 0.29 -1.00 -0.11 0.00 -0.03 0.00 0.00 54.58 53.73 1cb1 n ASN 21 Cb 0.66 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.74 1cb1 n ASN 21 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1cb1 s GLN 22 N 0.00 0.52 -0.00 3.52 -0.21 -1.18 -0.87 119.66 121.43 1cb1 s GLN 22 Ca 0.00 -0.51 0.05 0.00 0.02 0.00 0.00 55.36 54.91 1cb1 s GLN 22 Cb 0.00 0.21 -0.01 0.00 1.00 0.00 0.00 33.01 34.21 1cb1 s GLN 22 CO 0.00 -0.13 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.39 1cb1 s LEU 23 N -1.62 2.05 0.00 2.90 1.43 -0.57 -4.31 118.68 118.57 1cb1 s LEU 23 Ca -0.12 -0.30 -0.16 0.00 -1.03 0.00 0.00 54.13 52.52 1cb1 s LEU 23 Cb -0.06 -0.73 0.22 0.00 0.03 0.00 0.00 46.19 45.64 1cb1 s LEU 23 CO -0.00 0.16 1.12 -1.54 0.23 0.00 0.00 176.35 176.31 1cb1 n SER 24 N 2.57 -0.44 0.31 2.29 3.41 -1.26 -0.67 113.62 119.83 1cb1 n SER 24 Ca -0.15 -1.34 -0.18 0.00 -0.26 0.00 0.00 58.87 56.94 1cb1 n SER 24 Cb 0.55 -0.89 -0.10 0.00 -0.26 0.00 0.00 64.21 63.51 1cb1 n SER 24 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1cb1 h LYS 25 N 0.00 -0.98 -0.71 4.33 1.57 -1.97 0.18 116.57 118.99 1cb1 h LYS 25 Ca -0.37 0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.45 1cb1 h LYS 25 Cb 1.06 0.22 -0.03 0.00 0.08 0.00 0.00 32.23 33.56 1cb1 h LYS 25 CO 0.26 -0.65 0.35 1.05 -0.57 0.00 0.00 179.45 179.89 1cb1 h GLU 26 N -1.01 1.01 -0.19 3.15 4.11 -1.96 -0.82 114.58 118.87 1cb1 h GLU 26 Ca -0.06 -0.14 -0.13 0.00 0.07 0.00 0.00 59.36 59.10 1cb1 h GLU 26 Cb 0.87 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1cb1 h GLU 26 CO -0.04 0.78 -0.42 0.93 0.07 0.00 0.00 179.01 180.33 1cb1 h GLU 27 N 0.98 0.45 0.07 1.06 4.39 -1.90 -1.27 114.58 118.37 1cb1 h GLU 27 Ca 0.24 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1cb1 h GLU 27 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1cb1 h GLU 27 CO -0.03 0.79 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.50 1cb1 h LEU 28 N 0.37 -0.08 -0.64 1.33 3.38 -0.24 0.78 115.31 120.21 1cb1 h LEU 28 Ca 0.03 -0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.08 1cb1 h LEU 28 Cb 0.89 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.57 1cb1 h LEU 28 CO 0.08 -0.01 0.11 0.50 0.09 0.00 0.00 178.44 179.21 1cb1 h LYS 29 N -0.15 0.22 -0.69 1.13 3.11 -0.92 0.48 116.57 119.75 1cb1 h LYS 29 Ca -0.01 -0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.78 1cb1 h LYS 29 Cb 0.13 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.27 1cb1 h LYS 29 CO 0.02 0.15 0.31 1.96 -2.81 0.00 0.00 179.45 179.07 1cb1 h GLN 30 N 0.23 1.02 -0.21 1.90 4.20 -0.69 0.12 115.11 121.67 1cb1 h GLN 30 Ca 0.34 -0.17 0.06 0.00 0.06 0.00 0.00 58.65 58.95 1cb1 h GLN 30 Cb 0.55 -0.17 -0.07 0.00 0.30 0.00 0.00 27.48 28.08 1cb1 h GLN 30 CO -0.46 0.82 -0.28 1.25 -0.67 0.00 0.00 178.83 179.49 1cb1 h LEU 31 N 0.98 -0.87 -0.32 1.46 5.85 0.81 -0.20 115.31 123.01 1cb1 h LEU 31 Ca 0.24 0.14 0.03 0.00 0.84 0.00 0.00 57.88 59.13 1cb1 h LEU 31 Cb 0.16 0.39 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1cb1 h LEU 31 CO -0.03 -0.31 0.14 0.40 -0.34 0.00 0.00 178.44 178.31 1cb1 h ILE 32 N -0.30 0.96 -0.44 4.05 1.08 -0.44 0.71 117.51 123.12 1cb1 h ILE 32 Ca 0.12 -0.10 -0.03 0.00 -0.39 0.00 0.00 64.86 64.46 1cb1 h ILE 32 Cb 0.50 0.63 -0.02 0.00 -3.07 0.00 0.00 36.82 34.86 1cb1 h ILE 32 CO -0.38 0.05 0.16 0.06 -0.69 0.00 0.00 178.15 177.35 1cb1 h GLN 33 N 0.30 0.63 -0.09 2.37 3.07 -0.45 0.33 115.11 121.27 1cb1 h GLN 33 Ca 0.14 -0.09 -0.09 0.00 0.09 0.00 0.00 58.65 58.69 1cb1 h GLN 33 Cb 0.07 -0.11 0.00 0.00 0.08 0.00 0.00 27.48 27.52 1cb1 h GLN 33 CO -0.11 0.54 -0.30 0.00 0.09 0.00 0.00 178.83 179.05 1cb1 h ALA 34 N 1.55 0.16 0.04 0.06 0.00 -0.36 -3.36 119.26 117.36 1cb1 h ALA 34 Ca 0.15 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1cb1 h ALA 34 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1cb1 h ALA 34 CO -0.01 0.19 -0.02 0.93 0.00 0.00 0.00 179.25 180.34 1cb1 h GLU 35 N -0.09 -0.06 -0.75 0.00 5.08 -0.62 -3.46 114.58 114.68 1cb1 h GLU 35 Ca -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1cb1 h GLU 35 Cb 0.92 0.01 -0.18 0.00 0.50 0.00 0.00 28.75 30.01 1cb1 h GLU 35 CO 0.06 0.55 -0.35 -0.59 -1.00 0.00 0.00 179.01 177.68 1cb1 s PHE 36 N -2.52 -1.29 0.35 4.33 -0.12 0.11 -5.04 117.98 113.80 1cb1 s PHE 36 Ca -0.13 0.03 0.14 0.00 -0.05 0.00 0.00 56.93 56.92 1cb1 s PHE 36 Cb -0.01 0.24 1.02 0.00 -0.63 0.00 0.00 43.02 43.64 1cb1 s PHE 36 CO 0.48 -0.91 1.71 -1.35 -0.05 0.00 0.00 175.22 175.10 1cb1 h PRO 37 N 6.05 0.43 0.00 1.99 0.11 -1.60 -2.98 132.00 136.00 1cb1 h PRO 37 Ca 0.03 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1cb1 h PRO 37 Cb 1.18 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1cb1 h PRO 37 CO 0.03 0.29 0.55 0.43 -0.21 0.00 0.00 178.00 179.08 1cb1 n SER 38 N -4.88 0.12 -1.97 -2.05 7.64 -1.26 -3.84 113.62 107.37 1cb1 n SER 38 Ca 0.29 0.34 -0.11 0.00 1.01 0.00 0.00 58.87 60.39 1cb1 n SER 38 Cb 0.88 -0.19 -0.16 0.00 -1.01 0.00 0.00 64.21 63.73 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 -1.78 5.25 -4.29 -3.43 4.77 -1.13 -4.75 117.00 111.64 1cb1 n LEU 39 Ca -0.00 -3.14 -0.43 0.00 -0.03 0.00 0.00 56.01 52.41 1cb1 n LEU 39 Cb 0.56 -1.40 -0.00 0.00 -2.33 0.00 0.00 43.42 40.25 1cb1 n LEU 39 CO 0.02 1.66 2.22 0.18 -1.33 0.00 0.00 177.39 180.14 1cb1 n LEU 40 N 2.44 5.59 -3.56 2.23 4.77 -1.25 -4.50 117.00 122.72 1cb1 n LEU 40 Ca 0.41 -3.99 -0.40 0.00 -0.03 0.00 0.00 56.01 51.99 1cb1 n LEU 40 Cb 0.90 -1.72 -0.05 0.00 -2.33 0.00 0.00 43.42 40.21 1cb1 n LEU 40 CO 0.11 0.47 2.12 0.29 -1.33 0.00 0.00 177.39 179.05 1cb1 n LYS 41 N 7.62 1.51 -0.14 3.23 5.02 -1.26 -4.68 118.16 129.46 1cb1 n LYS 41 Ca 0.50 -1.76 0.00 0.00 -2.02 0.00 0.00 58.31 55.03 1cb1 n LYS 41 Cb 0.44 -2.84 0.00 0.00 -0.02 0.00 0.00 35.03 32.61 1cb1 n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cb1 n GLY 42 N 4.44 0.93 0.40 0.72 0.00 -1.26 -4.69 105.19 105.73 1cb1 n GLY 42 Ca 0.48 -1.85 0.19 0.00 0.00 0.00 0.00 46.02 44.84 1cb1 n GLY 42 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1cb1 h PRO 43 N 0.18 0.43 0.00 1.61 0.11 -2.04 -3.42 132.00 128.87 1cb1 h PRO 43 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1cb1 h PRO 43 Cb 0.00 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.01 1cb1 h PRO 43 CO 0.00 0.28 0.00 -2.13 -0.21 0.00 0.00 178.00 175.94 1cb1 n ARG 44 N -4.54 0.00 0.00 1.05 3.00 -1.26 -5.09 116.66 109.82 1cb1 n ARG 44 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.05 1cb1 n ARG 44 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.16 1cb1 n ARG 44 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1cb1 n THR 45 N -3.35 0.00 0.00 5.15 -1.04 -1.26 -4.06 114.28 109.72 1cb1 n THR 45 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1cb1 n THR 45 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 0.00 0.00 -3.34 -4.42 7.94 -1.26 -3.65 117.00 112.26 1cb1 n LEU 46 Ca 0.00 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.68 1cb1 n LEU 46 Cb 0.00 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.86 1cb1 n LEU 46 CO 0.00 0.00 -0.22 1.51 -1.11 0.00 0.00 177.39 177.57 1cb1 s ASP 47 N 0.00 1.48 0.22 1.96 -4.77 -1.26 -4.81 116.67 109.49 1cb1 s ASP 47 Ca 0.00 -2.16 0.00 0.00 -3.30 0.00 0.00 52.55 47.09 1cb1 s ASP 47 Cb 0.00 0.16 0.00 0.00 -1.09 0.00 0.00 42.92 41.99 1cb1 s ASP 47 CO 0.00 -0.23 0.00 -0.67 0.70 0.00 0.00 175.17 174.97 1cb1 n ASP 48 N 3.70 -0.26 -0.06 2.11 2.03 -1.24 -4.68 116.55 118.14 1cb1 n ASP 48 Ca 0.17 0.37 0.07 0.00 0.52 0.00 0.00 54.79 55.93 1cb1 n ASP 48 Cb 0.45 0.42 0.44 0.00 -0.72 0.00 0.00 41.12 41.71 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 0.46 -1.36 -2.67 8.10 -1.90 0.17 115.31 118.11 1cb1 h LEU 49 Ca 0.00 -0.00 0.26 0.00 0.11 0.00 0.00 57.88 58.25 1cb1 h LEU 49 Cb 0.00 -0.10 -0.09 0.00 -0.44 0.00 0.00 40.66 40.02 1cb1 h LEU 49 CO 0.00 0.31 0.66 -0.26 -4.11 0.00 0.00 178.44 175.04 1cb1 h PHE 50 N 0.54 0.67 -0.05 0.17 -1.00 -1.87 0.72 116.94 116.12 1cb1 h PHE 50 Ca 0.22 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 61.01 1cb1 h PHE 50 Cb 0.20 -0.20 -0.00 0.00 3.61 0.00 0.00 35.95 39.56 1cb1 h PHE 50 CO -0.00 0.07 -0.02 1.96 -1.61 0.00 0.00 178.31 178.71 1cb1 h GLN 51 N 0.41 0.07 -0.10 1.51 4.20 -0.93 0.55 115.11 120.82 1cb1 h GLN 51 Ca 0.59 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 59.19 1cb1 h GLN 51 Cb 1.45 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.20 1cb1 h GLN 51 CO -0.29 0.10 -0.39 0.93 -0.67 0.00 0.00 178.83 178.51 1cb1 h GLU 52 N 0.07 0.20 0.00 1.46 5.08 -0.93 -2.83 114.58 117.63 1cb1 h GLU 52 Ca 0.02 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.13 1cb1 h GLU 52 Cb 0.09 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1cb1 h GLU 52 CO 0.00 0.57 -0.76 -0.07 -1.00 0.00 0.00 179.01 177.75 1cb1 h LEU 53 N 0.17 0.00 -6.41 1.33 3.38 -0.96 -3.39 115.31 109.44 1cb1 h LEU 53 Ca 0.02 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.49 1cb1 h LEU 53 Cb 0.77 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.59 1cb1 h LEU 53 CO 0.06 0.76 1.87 -0.67 0.09 0.00 0.00 178.44 180.54 1cb1 n ASP 54 N -3.41 2.05 -4.69 -0.43 2.03 -0.41 -4.15 116.55 107.55 1cb1 n ASP 54 Ca 0.00 -2.47 -0.42 0.00 0.52 0.00 0.00 54.79 52.42 1cb1 n ASP 54 Cb 0.80 -0.83 -0.03 0.00 -0.72 0.00 0.00 41.12 40.34 1cb1 n ASP 54 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1cb1 s LYS 55 N 5.38 4.36 0.45 -0.67 1.02 -0.01 -4.71 119.74 125.55 1cb1 s LYS 55 Ca 0.50 1.59 0.24 0.00 0.02 0.00 0.00 55.97 58.31 1cb1 s LYS 55 Cb 0.12 -3.56 0.97 0.00 -0.52 0.00 0.00 37.83 34.84 1cb1 s LYS 55 CO 0.15 -0.43 1.85 -0.97 -0.92 0.00 0.00 175.35 175.03 1cb1 h ASN 56 N 7.39 0.00 -0.49 2.83 -0.73 -1.83 0.15 115.58 122.90 1cb1 h ASN 56 Ca -0.32 0.00 0.09 0.00 1.87 0.00 0.00 56.30 57.94 1cb1 h ASN 56 Cb 1.15 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 39.66 1cb1 h ASN 56 CO 0.88 0.23 0.01 1.23 -0.37 0.00 0.00 177.43 179.41 1cb1 h GLY 57 N 1.88 0.51 0.85 1.57 0.00 -1.93 -2.46 103.07 103.49 1cb1 h GLY 57 Ca -0.00 0.06 -0.30 0.00 0.00 0.00 0.00 47.33 47.08 1cb1 h GLY 57 CO 0.03 -0.13 -1.80 2.09 0.00 0.00 0.00 176.54 176.73 1cb1 n ASP 58 N -5.22 0.76 0.00 0.19 5.68 -1.17 -5.03 116.55 111.76 1cb1 n ASP 58 Ca 0.05 0.36 0.00 0.00 -0.50 0.00 0.00 54.79 54.70 1cb1 n ASP 58 Cb 0.27 0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 1cb1 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cb1 n GLY 59 N 1.58 3.24 0.00 6.12 0.00 0.48 -5.01 105.19 111.59 1cb1 n GLY 59 Ca -0.19 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 -3.53 1.61 4.71 -0.89 -4.12 120.64 118.41 1cb1 n GLU 60 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 56.74 1cb1 n GLU 60 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.38 1cb1 n GLU 60 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1cb1 s VAL 61 N 3.51 4.72 0.87 2.62 1.01 0.16 -0.83 120.40 132.45 1cb1 s VAL 61 Ca 0.00 -3.06 -0.12 0.00 0.00 0.00 0.00 61.98 58.80 1cb1 s VAL 61 Cb 0.00 -3.95 0.11 0.00 0.00 0.00 0.00 36.38 32.54 1cb1 s VAL 61 CO 0.00 -1.01 1.10 -0.44 0.00 0.00 0.00 175.10 174.75 1cb1 s SER 62 N 1.04 3.80 0.31 3.32 0.01 -1.26 -1.51 113.70 119.41 1cb1 s SER 62 Ca 0.21 1.40 0.07 0.00 1.31 0.00 0.00 55.95 58.94 1cb1 s SER 62 Cb -0.13 -2.09 0.87 0.00 0.21 0.00 0.00 66.02 64.88 1cb1 s SER 62 CO -0.08 -2.42 1.63 0.15 0.41 0.00 0.00 173.24 172.94 1cb1 h PHE 63 N -1.40 0.49 -0.94 2.43 3.57 -1.41 0.30 116.94 119.97 1cb1 h PHE 63 Ca -0.49 0.05 0.23 0.00 3.53 0.00 0.00 57.97 61.29 1cb1 h PHE 63 Cb 1.28 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.89 1cb1 h PHE 63 CO 0.43 -0.26 0.63 0.93 -2.23 0.00 0.00 178.31 177.81 1cb1 h GLU 64 N 0.19 0.31 0.02 1.11 3.07 -1.91 0.33 114.58 117.71 1cb1 h GLU 64 Ca 0.63 -0.02 -0.36 0.00 -0.50 0.00 0.00 59.36 59.11 1cb1 h GLU 64 Cb 1.38 -0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 29.17 1cb1 h GLU 64 CO -0.69 0.21 -2.04 0.39 -1.40 0.00 0.00 179.01 175.47 1cb1 n GLU 65 N -4.48 0.62 -0.32 2.33 4.71 0.79 -4.45 120.64 119.84 1cb1 n GLU 65 Ca 0.21 0.34 0.14 0.00 -0.01 0.00 0.00 57.16 57.84 1cb1 n GLU 65 Cb 0.80 -1.62 0.33 0.00 -1.01 0.00 0.00 31.44 29.94 1cb1 n GLU 65 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1cb1 h PHE 66 N -0.62 0.81 -0.98 -0.32 3.57 -0.28 0.99 116.94 120.11 1cb1 h PHE 66 Ca -0.52 0.04 0.26 0.00 3.53 0.00 0.00 57.97 61.27 1cb1 h PHE 66 Cb 1.65 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 40.11 1cb1 h PHE 66 CO 0.02 0.03 0.67 -0.56 -2.23 0.00 0.00 178.31 176.24 1cb1 h GLN 67 N 0.50 0.23 -0.41 1.11 3.07 -1.16 0.29 115.11 118.74 1cb1 h GLN 67 Ca 0.58 -0.01 -0.05 0.00 0.09 0.00 0.00 58.65 59.26 1cb1 h GLN 67 Cb 1.07 -0.05 -0.02 0.00 0.08 0.00 0.00 27.48 28.56 1cb1 h GLN 67 CO -0.49 0.15 0.08 0.28 0.09 0.00 0.00 178.83 178.94 1cb1 h VAL 68 N 0.24 1.24 -0.16 1.86 2.07 -1.05 0.72 116.25 121.17 1cb1 h VAL 68 Ca 0.51 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1cb1 h VAL 68 Cb 1.56 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1cb1 h VAL 68 CO -0.14 0.29 0.10 0.25 0.02 0.00 0.00 177.57 178.09 1cb1 h LEU 69 N 0.52 0.19 -0.15 2.57 5.85 -0.59 -2.85 115.31 120.85 1cb1 h LEU 69 Ca 0.12 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.85 1cb1 h LEU 69 Cb 0.35 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 1cb1 h LEU 69 CO 0.01 0.17 -0.18 0.58 -0.34 0.00 0.00 178.44 178.68 1cb1 h VAL 70 N 0.19 0.54 -0.92 1.05 2.07 -0.74 -2.68 116.25 115.76 1cb1 h VAL 70 Ca 0.06 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.78 1cb1 h VAL 70 Cb 0.01 0.54 -0.11 0.00 -1.52 0.00 0.00 31.29 30.21 1cb1 h VAL 70 CO -0.01 0.00 0.48 0.11 0.02 0.00 0.00 177.57 178.16 1cb1 h LYS 71 N -0.21 0.54 -0.82 1.57 1.79 -0.64 -2.25 116.57 116.54 1cb1 h LYS 71 Ca 0.10 -0.03 -0.55 0.00 -2.18 0.00 0.00 60.65 57.99 1cb1 h LYS 71 Cb 0.36 -0.12 -0.31 0.00 -1.58 0.00 0.00 32.23 30.58 1cb1 h LYS 71 CO -0.27 0.35 0.15 0.36 -1.08 0.00 0.00 179.45 178.96 1cb1 n LYS 72 N -4.92 2.85 -1.75 3.15 -0.00 -1.04 -4.98 118.16 111.47 1cb1 n LYS 72 Ca 0.22 -3.56 -0.41 0.00 -0.00 0.00 0.00 58.31 54.56 1cb1 n LYS 72 Cb 0.60 -2.21 -0.03 0.00 -0.00 0.00 0.00 35.03 33.38 1cb1 n LYS 72 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1cb1 s ILE 73 N -4.42 3.18 -0.77 0.58 -1.09 -0.85 -4.84 121.20 112.98 1cb1 s ILE 73 Ca 0.57 0.16 -0.13 0.00 -2.23 0.00 0.00 60.65 59.01 1cb1 s ILE 73 Cb 0.46 -3.30 -0.11 0.00 -1.58 0.00 0.00 42.46 37.93 1cb1 s ILE 73 CO 0.02 -0.24 1.95 -1.20 -1.23 0.00 0.00 174.94 174.24 1cb1 n SER 74 N 12.61 3.44 0.00 3.58 7.64 -1.26 -5.12 113.62 134.51 1cb1 n SER 74 Ca 0.29 -2.47 0.00 0.00 1.01 0.00 0.00 58.87 57.69 1cb1 n SER 74 Cb 0.49 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 1cb1 n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03