#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 6.80 -2.78 -0.43 0.00 -1.26 -4.92 120.51 117.92 1cb1 n ALA -1 Ca 0.00 -3.81 -0.35 0.00 0.00 0.00 0.00 53.44 49.28 1cb1 n ALA -1 Cb 0.00 -3.22 -0.09 0.00 0.00 0.00 0.00 19.45 16.14 1cb1 n ALA -1 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1cb1 s GLN 0 N 1.37 3.36 0.14 0.00 0.00 -1.26 -5.12 119.66 118.16 1cb1 s GLN 0 Ca 0.59 -0.31 0.08 0.00 -0.00 0.00 0.00 55.36 55.71 1cb1 s GLN 0 Cb 0.17 -3.01 -0.04 0.00 0.00 0.00 0.00 33.01 30.12 1cb1 s GLN 0 CO -0.07 0.62 -0.10 0.15 0.00 0.00 0.00 175.29 175.89 1cb1 s LYS 1 N -0.62 2.10 -0.23 9.60 -0.14 -1.26 -5.13 119.74 124.06 1cb1 s LYS 1 Ca 0.11 -1.12 -0.13 0.00 -1.36 0.00 0.00 55.97 53.47 1cb1 s LYS 1 Cb -0.12 -2.25 0.07 0.00 -1.68 0.00 0.00 37.83 33.86 1cb1 s LYS 1 CO 0.02 0.48 0.57 -1.12 -0.76 0.00 0.00 175.35 174.54 1cb1 s SER 2 N -2.46 -0.76 0.20 2.83 0.01 -1.26 -5.07 113.70 107.19 1cb1 s SER 2 Ca 0.23 1.25 -0.16 0.00 1.31 0.00 0.00 55.95 58.58 1cb1 s SER 2 Cb -0.10 1.14 0.20 0.00 0.21 0.00 0.00 66.02 67.47 1cb1 s SER 2 CO 0.14 -0.22 1.60 -0.65 0.41 0.00 0.00 173.24 174.53 1cb1 h PRO 3 N 7.07 -0.07 -0.89 12.44 0.11 -2.00 -0.11 132.00 148.54 1cb1 h PRO 3 Ca -0.33 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.89 1cb1 h PRO 3 Cb 1.21 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.26 1cb1 h PRO 3 CO 0.22 -0.05 0.53 0.00 -0.21 0.00 0.00 178.00 178.49 1cb1 h ALA 4 N 1.37 1.30 0.05 -0.75 0.00 -1.98 0.24 119.26 119.50 1cb1 h ALA 4 Ca 0.28 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1cb1 h ALA 4 Cb 0.52 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1cb1 h ALA 4 CO -0.68 0.14 -0.02 1.49 0.00 0.00 0.00 179.25 180.18 1cb1 h GLU 5 N 0.87 -0.07 -0.88 0.00 4.57 -1.66 0.81 114.58 118.21 1cb1 h GLU 5 Ca 0.44 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.69 1cb1 h GLU 5 Cb 0.41 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.96 1cb1 h GLU 5 CO -0.26 0.28 0.57 -0.07 -1.18 0.00 0.00 179.01 178.35 1cb1 h LEU 6 N -0.42 0.86 0.01 1.64 3.38 -0.40 0.64 115.31 121.02 1cb1 h LEU 6 Ca -0.01 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1cb1 h LEU 6 Cb 0.38 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1cb1 h LEU 6 CO 0.01 0.55 -0.00 0.50 0.09 0.00 0.00 178.44 179.59 1cb1 h LYS 7 N 0.97 -0.01 -0.42 1.13 3.64 -0.38 0.12 116.57 121.62 1cb1 h LYS 7 Ca 0.38 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.82 1cb1 h LYS 7 Cb 0.23 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.00 1cb1 h LYS 7 CO -0.14 0.23 0.10 0.77 -2.27 0.00 0.00 179.45 178.14 1cb1 h SER 8 N -0.25 0.06 0.52 4.20 0.02 0.06 0.12 113.55 118.27 1cb1 h SER 8 Ca -0.00 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1cb1 h SER 8 Cb 0.24 0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1cb1 h SER 8 CO 0.00 0.07 -0.26 0.40 -1.14 0.00 0.00 176.83 175.90 1cb1 h ILE 9 N 0.24 0.47 -0.67 3.27 2.04 -0.80 -2.89 117.51 119.17 1cb1 h ILE 9 Ca 0.20 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.20 1cb1 h ILE 9 Cb 0.23 0.47 -0.12 0.00 -0.74 0.00 0.00 36.82 36.65 1cb1 h ILE 9 CO -0.24 0.00 -0.11 0.15 0.00 0.00 0.00 178.15 177.95 1cb1 h PHE 10 N -0.71 -0.25 -0.92 1.37 3.04 -0.32 -0.16 116.94 118.99 1cb1 h PHE 10 Ca -0.07 0.06 0.18 0.00 3.98 0.00 0.00 57.97 62.12 1cb1 h PHE 10 Cb 0.55 0.21 -0.08 0.00 2.56 0.00 0.00 35.95 39.20 1cb1 h PHE 10 CO -0.05 -0.26 0.59 0.93 -2.02 0.00 0.00 178.31 177.51 1cb1 h GLU 11 N 0.03 0.57 -0.71 1.11 5.08 -0.58 -0.13 114.58 119.96 1cb1 h GLU 11 Ca 0.33 -0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.78 1cb1 h GLU 11 Cb 0.53 -0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.57 1cb1 h GLU 11 CO -0.65 0.38 0.30 -0.22 -1.00 0.00 0.00 179.01 177.82 1cb1 h LYS 12 N 0.59 0.47 0.06 2.33 1.63 -0.85 0.79 116.57 121.58 1cb1 h LYS 12 Ca 0.49 -0.03 -0.25 0.00 -0.85 0.00 0.00 60.65 60.01 1cb1 h LYS 12 Cb 0.95 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.45 1cb1 h LYS 12 CO -0.23 0.31 -1.35 1.88 -3.45 0.00 0.00 179.45 176.61 1cb1 h TYR 13 N 0.48 0.21 -0.76 1.91 -1.99 -1.50 -3.38 116.97 111.94 1cb1 h TYR 13 Ca 0.37 -0.16 0.16 0.00 2.00 0.00 0.00 58.73 61.10 1cb1 h TYR 13 Cb 0.50 -0.01 -0.10 0.00 2.00 0.00 0.00 36.73 39.12 1cb1 h TYR 13 CO -0.15 1.53 0.26 0.00 -0.00 0.00 0.00 178.16 179.80 1cb1 h ALA 14 N -0.23 1.05 -0.27 3.88 0.00 -0.90 0.90 119.26 123.69 1cb1 h ALA 14 Ca -0.33 0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.80 1cb1 h ALA 14 Cb 1.55 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 1cb1 h ALA 14 CO -0.07 -0.27 0.24 0.00 0.00 0.00 0.00 179.25 179.15 1cb1 h ALA 15 N 1.59 2.05 0.14 0.00 0.00 -0.97 -2.21 119.26 119.85 1cb1 h ALA 15 Ca 0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 1cb1 h ALA 15 Cb 0.70 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1cb1 h ALA 15 CO -0.46 -0.38 -0.07 0.87 0.00 0.00 0.00 179.25 179.21 1cb1 h LYS 16 N 0.00 -0.18 -3.36 0.00 1.57 -0.99 -3.42 116.57 110.20 1cb1 h LYS 16 Ca 0.13 0.01 -0.38 0.00 -1.87 0.00 0.00 60.65 58.55 1cb1 h LYS 16 Cb 0.62 0.04 -0.39 0.00 0.08 0.00 0.00 32.23 32.58 1cb1 h LYS 16 CO -0.00 -0.12 -0.74 -1.21 -0.57 0.00 0.00 179.45 176.81 1cb1 s GLU 17 N -2.13 0.00 0.00 3.15 0.41 -1.18 -4.80 118.70 114.15 1cb1 s GLU 17 Ca -0.03 0.34 0.00 0.00 -0.41 0.00 0.00 54.97 54.88 1cb1 s GLU 17 Cb 0.00 -0.56 0.00 0.00 -1.78 0.00 0.00 34.13 31.79 1cb1 s GLU 17 CO 0.08 -0.32 0.00 0.41 -0.49 0.00 0.00 175.26 174.94 1cb1 n GLY 18 N 5.26 1.91 0.00 -1.39 0.00 -1.25 -3.17 105.19 106.55 1cb1 n GLY 18 Ca -0.04 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1cb1 n GLY 18 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cb1 n ASP 19 N 0.00 0.00 0.19 1.61 8.00 -0.84 -4.49 116.55 121.03 1cb1 n ASP 19 Ca 0.00 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.65 1cb1 n ASP 19 Cb 0.00 0.00 0.53 0.00 -0.02 0.00 0.00 41.12 41.63 1cb1 n ASP 19 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1cb1 h PRO 20 N 0.00 0.00 -0.41 -0.24 0.11 -1.79 0.12 132.00 129.79 1cb1 h PRO 20 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1cb1 h PRO 20 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1cb1 h PRO 20 CO 0.00 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.06 1cb1 n ASN 21 N -3.02 3.31 -3.97 -2.05 6.94 -1.26 -4.42 115.26 110.79 1cb1 n ASN 21 Ca 0.05 -1.97 -0.08 0.00 -0.02 0.00 0.00 54.58 52.56 1cb1 n ASN 21 Cb 0.79 -0.27 -0.09 0.00 -2.36 0.00 0.00 39.78 37.85 1cb1 n ASN 21 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1cb1 s GLN 22 N -1.47 0.66 -0.15 -3.83 -0.21 0.43 -0.46 119.66 114.63 1cb1 s GLN 22 Ca 0.39 -0.97 0.00 0.00 0.02 0.00 0.00 55.36 54.81 1cb1 s GLN 22 Cb 0.22 0.25 -0.00 0.00 1.00 0.00 0.00 33.01 34.48 1cb1 s GLN 22 CO 0.31 -0.16 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.66 1cb1 s LEU 23 N -2.58 2.52 0.55 2.90 1.43 -0.10 -4.05 118.68 119.36 1cb1 s LEU 23 Ca 0.02 -0.44 -0.09 0.00 -1.03 0.00 0.00 54.13 52.58 1cb1 s LEU 23 Cb 0.03 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 1cb1 s LEU 23 CO -0.08 0.10 0.92 -0.44 0.23 0.00 0.00 176.35 177.08 1cb1 s SER 24 N 0.72 6.29 0.26 2.29 0.01 -1.19 -0.84 113.70 121.23 1cb1 s SER 24 Ca -0.07 1.23 -0.07 0.00 1.31 0.00 0.00 55.95 58.36 1cb1 s SER 24 Cb -0.15 -2.38 0.47 0.00 0.21 0.00 0.00 66.02 64.16 1cb1 s SER 24 CO 0.01 -0.71 1.61 0.50 0.41 0.00 0.00 173.24 175.06 1cb1 h LYS 25 N 0.07 0.05 -0.27 12.44 3.64 -1.92 0.57 116.57 131.15 1cb1 h LYS 25 Ca -0.45 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 58.94 1cb1 h LYS 25 Cb 1.19 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 1cb1 h LYS 25 CO 0.62 0.04 0.13 0.93 -2.27 0.00 0.00 179.45 178.89 1cb1 h GLU 26 N 0.06 0.27 -0.31 1.90 5.08 -1.93 0.12 114.58 119.76 1cb1 h GLU 26 Ca 0.44 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.72 1cb1 h GLU 26 Cb 0.78 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1cb1 h GLU 26 CO -0.77 0.18 -0.06 0.93 -1.00 0.00 0.00 179.01 178.29 1cb1 h GLU 27 N 0.27 0.59 0.03 2.33 4.39 -1.49 -1.72 114.58 118.98 1cb1 h GLU 27 Ca 0.11 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1cb1 h GLU 27 Cb 0.04 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1cb1 h GLU 27 CO -0.08 0.76 -0.01 1.37 -1.16 0.00 0.00 179.01 179.88 1cb1 h LEU 28 N 0.36 -0.03 -0.35 1.33 8.10 -0.80 -0.54 115.31 123.38 1cb1 h LEU 28 Ca 0.08 -0.04 0.07 0.00 0.11 0.00 0.00 57.88 58.10 1cb1 h LEU 28 Cb 0.53 0.01 -0.09 0.00 -0.44 0.00 0.00 40.66 40.68 1cb1 h LEU 28 CO 0.03 0.02 -0.30 0.50 -4.11 0.00 0.00 178.44 174.57 1cb1 h LYS 29 N -0.09 -0.25 -0.12 0.17 1.63 -0.66 0.14 116.57 117.39 1cb1 h LYS 29 Ca -0.00 0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.86 1cb1 h LYS 29 Cb 0.07 0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.71 1cb1 h LYS 29 CO 0.01 -0.17 -0.17 1.96 -3.45 0.00 0.00 179.45 177.63 1cb1 h GLN 30 N -0.26 -0.21 -0.43 1.90 4.20 -1.05 -0.24 115.11 119.03 1cb1 h GLN 30 Ca 0.16 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.96 1cb1 h GLN 30 Cb 0.52 0.05 -0.09 0.00 0.30 0.00 0.00 27.48 28.26 1cb1 h GLN 30 CO -0.49 -0.14 -0.42 1.25 -0.67 0.00 0.00 178.83 178.35 1cb1 h LEU 31 N -0.22 -1.42 -0.02 1.46 6.46 0.22 0.12 115.31 121.91 1cb1 h LEU 31 Ca 0.09 0.22 0.03 0.00 -0.12 0.00 0.00 57.88 58.11 1cb1 h LEU 31 Cb 0.35 0.63 -0.05 0.00 -0.73 0.00 0.00 40.66 40.85 1cb1 h LEU 31 CO -0.25 -0.36 -0.36 0.40 -0.62 0.00 0.00 178.44 177.25 1cb1 h ILE 32 N -0.31 0.24 -0.68 4.05 1.08 -0.30 0.72 117.51 122.32 1cb1 h ILE 32 Ca 0.15 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.66 1cb1 h ILE 32 Cb 0.58 0.24 -0.05 0.00 -3.07 0.00 0.00 36.82 34.52 1cb1 h ILE 32 CO -0.59 0.00 0.40 1.56 -0.69 0.00 0.00 178.15 178.83 1cb1 h GLN 33 N -0.50 0.73 -0.05 2.37 4.20 -0.65 0.18 115.11 121.39 1cb1 h GLN 33 Ca 0.06 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1cb1 h GLN 33 Cb 0.59 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 1cb1 h GLN 33 CO -0.30 0.48 -0.03 0.00 -0.67 0.00 0.00 178.83 178.31 1cb1 h ALA 34 N 1.33 0.07 0.04 3.87 0.00 -0.29 -3.39 119.26 120.89 1cb1 h ALA 34 Ca 0.29 -0.25 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 1cb1 h ALA 34 Cb 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1cb1 h ALA 34 CO -0.16 -0.17 -1.27 0.93 0.00 0.00 0.00 179.25 178.59 1cb1 h GLU 35 N -0.31 0.09 -0.22 0.00 5.08 -0.76 -3.47 114.58 114.99 1cb1 h GLU 35 Ca 0.01 -0.15 -0.18 0.00 -1.00 0.00 0.00 59.36 58.03 1cb1 h GLU 35 Cb 0.51 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 29.67 1cb1 h GLU 35 CO 0.01 1.07 -0.44 1.97 -1.00 0.00 0.00 179.01 180.63 1cb1 n PHE 36 N -4.21 -3.11 0.28 4.33 1.16 0.55 -4.97 117.46 111.48 1cb1 n PHE 36 Ca -0.28 -1.53 0.11 0.00 -1.87 0.00 0.00 57.45 53.87 1cb1 n PHE 36 Cb 0.76 1.49 0.76 0.00 -1.61 0.00 0.00 39.48 40.88 1cb1 n PHE 36 CO 0.00 0.00 0.00 -1.00 -1.87 0.00 0.00 176.76 173.89 1cb1 h PRO 37 N 4.13 0.00 -0.04 3.97 0.13 -1.57 -2.08 132.00 136.54 1cb1 h PRO 37 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1cb1 h PRO 37 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1cb1 h PRO 37 CO 0.20 0.01 0.00 -1.13 -0.23 0.00 0.00 178.00 176.85 1cb1 n SER 38 N -4.21 0.04 0.15 1.44 3.41 -1.26 -4.05 113.62 109.14 1cb1 n SER 38 Ca -0.03 -1.23 0.11 0.00 -0.26 0.00 0.00 58.87 57.46 1cb1 n SER 38 Cb 0.09 -0.02 0.53 0.00 -0.26 0.00 0.00 64.21 64.56 1cb1 n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cb1 n LEU 39 N -0.45 0.55 -2.27 1.04 -0.00 -0.79 -3.96 117.00 111.13 1cb1 n LEU 39 Ca 0.00 0.72 -0.07 0.00 -0.00 0.00 0.00 56.01 56.66 1cb1 n LEU 39 Cb 0.01 -0.75 -0.09 0.00 -0.00 0.00 0.00 43.42 42.59 1cb1 n LEU 39 CO 0.00 -0.83 1.19 0.18 -0.00 0.00 0.00 177.39 177.93 1cb1 n LEU 40 N -2.21 3.03 -3.43 1.47 4.77 -1.26 -4.74 117.00 114.64 1cb1 n LEU 40 Ca -0.00 -2.04 -0.40 0.00 -0.03 0.00 0.00 56.01 53.54 1cb1 n LEU 40 Cb 0.08 -0.81 -0.02 0.00 -2.33 0.00 0.00 43.42 40.34 1cb1 n LEU 40 CO 0.12 0.72 3.20 0.29 -1.33 0.00 0.00 177.39 180.39 1cb1 n LYS 41 N 2.79 3.51 0.00 3.23 5.02 -1.25 -4.51 118.16 126.95 1cb1 n LYS 41 Ca 0.25 -2.34 0.00 0.00 -2.02 0.00 0.00 58.31 54.20 1cb1 n LYS 41 Cb 0.50 -2.92 0.00 0.00 -0.02 0.00 0.00 35.03 32.58 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 3.67 2.27 3.53 0.72 0.00 -1.26 -5.04 105.19 109.08 1cb1 n GLY 42 Ca 0.71 -0.72 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 1.40 -0.94 1.61 -0.02 -1.26 -4.84 135.00 130.94 1cb1 n PRO 43 Ca 0.00 0.33 -0.17 0.00 -2.02 0.00 0.00 63.50 61.63 1cb1 n PRO 43 Cb 0.00 -2.92 -0.11 0.00 -0.02 0.00 0.00 33.50 30.45 1cb1 n PRO 43 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1cb1 n ARG 44 N 8.60 2.17 -4.01 -0.52 3.00 -1.26 -4.55 116.66 120.09 1cb1 n ARG 44 Ca 0.37 -1.20 -0.31 0.00 -0.00 0.00 0.00 57.85 56.71 1cb1 n ARG 44 Cb 0.37 -2.16 -0.15 0.00 0.00 0.00 0.00 32.46 30.51 1cb1 n ARG 44 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1cb1 s THR 45 N 1.67 2.06 -0.13 5.15 2.01 -1.26 -4.91 115.64 120.23 1cb1 s THR 45 Ca 0.59 -1.93 0.19 0.00 0.31 0.00 0.00 61.69 60.85 1cb1 s THR 45 Cb 0.24 -2.39 -0.18 0.00 0.01 0.00 0.00 72.50 70.18 1cb1 s THR 45 CO -0.02 -0.36 0.64 -0.11 -0.69 0.00 0.00 174.62 174.08 1cb1 n LEU 46 N 4.40 0.51 0.00 4.42 7.94 -1.26 -4.77 117.00 128.24 1cb1 n LEU 46 Ca -0.04 0.22 0.00 0.00 -1.11 0.00 0.00 56.01 55.08 1cb1 n LEU 46 Cb 0.42 0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.49 1cb1 n LEU 46 CO 0.20 0.13 0.00 -0.67 -1.11 0.00 0.00 177.39 175.94 1cb1 n ASP 47 N -2.69 0.00 -0.26 1.96 2.03 -1.26 -4.80 116.55 111.53 1cb1 n ASP 47 Ca -0.11 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.24 1cb1 n ASP 47 Cb 0.79 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 41.36 1cb1 n ASP 47 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1cb1 h ASP 48 N 0.00 0.42 0.22 1.67 3.58 -1.92 -0.17 116.42 120.22 1cb1 h ASP 48 Ca 0.00 0.08 -0.06 0.00 0.42 0.00 0.00 57.03 57.47 1cb1 h ASP 48 Cb 0.00 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1cb1 h ASP 48 CO 0.00 0.21 -0.27 0.17 -2.88 0.00 0.00 179.24 176.47 1cb1 h LEU 49 N 0.56 0.08 -0.22 2.28 8.10 -1.89 -2.28 115.31 121.94 1cb1 h LEU 49 Ca 0.39 -0.02 0.04 0.00 0.11 0.00 0.00 57.88 58.40 1cb1 h LEU 49 Cb 0.50 -0.02 -0.04 0.00 -0.44 0.00 0.00 40.66 40.66 1cb1 h LEU 49 CO -0.33 0.36 -0.03 0.15 -4.11 0.00 0.00 178.44 174.48 1cb1 h PHE 50 N 0.08 -0.07 0.05 0.17 3.57 -1.34 0.22 116.94 119.61 1cb1 h PHE 50 Ca 0.01 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1cb1 h PHE 50 Cb 0.53 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.33 1cb1 h PHE 50 CO 0.00 -0.07 -0.02 0.37 -2.23 0.00 0.00 178.31 176.36 1cb1 h GLN 51 N 0.03 -0.07 -0.99 1.11 4.15 -1.20 -2.23 115.11 115.91 1cb1 h GLN 51 Ca 0.11 0.00 0.16 0.00 0.77 0.00 0.00 58.65 59.69 1cb1 h GLN 51 Cb 0.15 0.02 -0.09 0.00 0.21 0.00 0.00 27.48 27.76 1cb1 h GLN 51 CO -0.21 0.01 0.62 1.49 -1.93 0.00 0.00 178.83 178.81 1cb1 h GLU 52 N -0.13 0.82 -0.14 1.69 4.22 -0.87 -0.41 114.58 119.75 1cb1 h GLU 52 Ca -0.01 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.38 1cb1 h GLU 52 Cb 0.11 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1cb1 h GLU 52 CO 0.01 0.54 0.00 1.28 -2.18 0.00 0.00 179.01 178.66 1cb1 n LEU 53 N -4.68 0.77 -4.58 1.64 4.77 0.71 -4.82 117.00 110.81 1cb1 n LEU 53 Ca 0.21 -0.38 -0.41 0.00 -0.03 0.00 0.00 56.01 55.40 1cb1 n LEU 53 Cb 0.48 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1cb1 n LEU 53 CO 0.25 0.19 1.53 -0.62 -1.33 0.00 0.00 177.39 177.41 1cb1 s ASP 54 N -1.03 5.71 0.24 -1.43 2.15 -0.17 -4.12 116.67 118.01 1cb1 s ASP 54 Ca 0.11 0.93 -0.10 0.00 0.43 0.00 0.00 52.55 53.92 1cb1 s ASP 54 Cb 0.06 -2.53 0.37 0.00 -0.30 0.00 0.00 42.92 40.51 1cb1 s ASP 54 CO 0.08 -1.92 1.62 0.50 -0.17 0.00 0.00 175.17 175.27 1cb1 h LYS 55 N 13.45 0.04 0.00 4.34 1.63 -1.25 -3.45 116.57 131.33 1cb1 h LYS 55 Ca -0.30 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.50 1cb1 h LYS 55 Cb 1.16 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.78 1cb1 h LYS 55 CO 1.10 0.02 0.00 0.27 -3.45 0.00 0.00 179.45 177.40 1cb1 n ASN 56 N -5.44 0.00 0.00 4.20 0.23 -1.26 -5.07 115.26 107.93 1cb1 n ASN 56 Ca 0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.17 1cb1 n ASN 56 Cb 0.43 0.29 0.00 0.00 -2.08 0.00 0.00 39.78 38.42 1cb1 n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1cb1 n GLY 57 N -1.35 -2.62 1.54 4.83 0.00 -1.26 -4.94 105.19 101.39 1cb1 n GLY 57 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.23 -1.32 -2.72 1.61 2.03 -1.26 -5.00 116.55 107.65 1cb1 n ASP 58 Ca 0.00 0.34 -0.09 0.00 0.52 0.00 0.00 54.79 55.55 1cb1 n ASP 58 Cb 0.00 1.49 0.05 0.00 -0.72 0.00 0.00 41.12 41.94 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 -1.37 1.65 3.33 0.27 0.00 -1.26 -4.80 105.19 103.01 1cb1 n GLY 59 Ca 0.00 -1.04 -0.47 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.24 3.43 -1.14 1.61 2.02 -1.26 -3.43 118.70 117.69 1cb1 s GLU 60 Ca 0.27 -2.24 -0.14 0.00 0.02 0.00 0.00 54.97 52.88 1cb1 s GLU 60 Cb 0.43 -4.40 0.18 0.00 0.10 0.00 0.00 34.13 30.44 1cb1 s GLU 60 CO -0.00 -1.31 1.32 0.08 0.02 0.00 0.00 175.26 175.37 1cb1 s VAL 61 N 0.61 5.13 0.65 2.63 1.01 -0.02 -0.73 120.40 129.68 1cb1 s VAL 61 Ca 0.14 -2.56 -0.18 0.00 0.00 0.00 0.00 61.98 59.38 1cb1 s VAL 61 Cb -0.16 -4.84 -0.01 0.00 0.00 0.00 0.00 36.38 31.38 1cb1 s VAL 61 CO -0.06 -1.53 1.24 -1.20 0.00 0.00 0.00 175.10 173.56 1cb1 n SER 62 N 5.35 1.82 -0.26 3.32 7.64 -1.26 -0.92 113.62 129.31 1cb1 n SER 62 Ca 0.32 0.81 0.07 0.00 1.01 0.00 0.00 58.87 61.08 1cb1 n SER 62 Cb 0.43 -1.53 0.21 0.00 -1.01 0.00 0.00 64.21 62.31 1cb1 n SER 62 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1cb1 h PHE 63 N 0.43 0.27 -0.88 1.43 3.57 -1.13 0.19 116.94 120.82 1cb1 h PHE 63 Ca -0.50 0.05 0.23 0.00 3.53 0.00 0.00 57.97 61.27 1cb1 h PHE 63 Cb 1.34 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 39.95 1cb1 h PHE 63 CO 0.41 -0.13 0.31 0.93 -2.23 0.00 0.00 178.31 177.60 1cb1 h GLU 64 N 0.24 0.29 0.15 1.11 3.07 -1.90 -0.87 114.58 116.67 1cb1 h GLU 64 Ca 0.45 -0.02 -0.21 0.00 -0.50 0.00 0.00 59.36 59.09 1cb1 h GLU 64 Cb 0.80 -0.06 0.02 0.00 -0.84 0.00 0.00 28.75 28.67 1cb1 h GLU 64 CO -0.56 0.19 -0.91 0.93 -1.40 0.00 0.00 179.01 177.26 1cb1 h GLU 65 N 0.30 0.32 -1.13 2.33 4.39 -1.08 -3.31 114.58 116.40 1cb1 h GLU 65 Ca 0.55 -0.55 0.33 0.00 0.34 0.00 0.00 59.36 60.02 1cb1 h GLU 65 Cb 1.08 0.21 -0.11 0.00 -0.10 0.00 0.00 28.75 29.83 1cb1 h GLU 65 CO -0.59 1.27 0.72 0.35 -1.16 0.00 0.00 179.01 179.60 1cb1 h PHE 66 N -0.31 0.62 -1.00 4.33 3.57 0.45 0.25 116.94 124.85 1cb1 h PHE 66 Ca -0.16 0.02 0.35 0.00 3.53 0.00 0.00 57.97 61.71 1cb1 h PHE 66 Cb 1.71 -0.17 -0.16 0.00 2.79 0.00 0.00 35.95 40.11 1cb1 h PHE 66 CO 0.19 -0.04 0.54 1.96 -2.23 0.00 0.00 178.31 178.72 1cb1 h GLN 67 N 0.28 0.20 -0.94 1.11 4.20 -1.30 0.41 115.11 119.08 1cb1 h GLN 67 Ca 0.68 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 59.40 1cb1 h GLN 67 Cb 1.87 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 29.55 1cb1 h GLN 67 CO -0.35 0.13 0.62 0.28 -0.67 0.00 0.00 178.83 178.84 1cb1 h VAL 68 N 0.21 1.17 -0.01 -0.54 2.07 -1.18 -0.39 116.25 117.59 1cb1 h VAL 68 Ca 0.76 -0.41 -0.10 0.00 0.82 0.00 0.00 66.70 67.78 1cb1 h VAL 68 Cb 1.83 -0.13 0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1cb1 h VAL 68 CO -0.67 0.22 -0.37 0.25 0.02 0.00 0.00 177.57 177.02 1cb1 h LEU 69 N 1.20 0.34 -0.76 2.57 5.85 -0.43 -3.28 115.31 120.80 1cb1 h LEU 69 Ca 0.37 -0.75 0.17 0.00 0.84 0.00 0.00 57.88 58.51 1cb1 h LEU 69 Cb -0.01 -0.10 -0.13 0.00 0.37 0.00 0.00 40.66 40.78 1cb1 h LEU 69 CO -0.11 1.05 -0.02 0.58 -0.34 0.00 0.00 178.44 179.61 1cb1 h VAL 70 N -0.33 0.32 -1.00 1.05 2.07 -0.50 0.35 116.25 118.20 1cb1 h VAL 70 Ca -0.04 -0.03 0.25 0.00 0.82 0.00 0.00 66.70 67.70 1cb1 h VAL 70 Cb 1.10 0.23 -0.08 0.00 -1.52 0.00 0.00 31.29 31.02 1cb1 h VAL 70 CO 0.07 0.02 0.66 0.50 0.02 0.00 0.00 177.57 178.84 1cb1 h LYS 71 N 0.09 0.36 0.00 1.57 1.63 -1.14 0.15 116.57 119.22 1cb1 h LYS 71 Ca 0.41 -0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 60.10 1cb1 h LYS 71 Cb 0.72 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.25 1cb1 h LYS 71 CO -0.68 0.24 -0.56 0.87 -3.45 0.00 0.00 179.45 175.86 1cb1 h LYS 72 N 0.37 0.00 0.00 1.90 1.79 -0.51 -3.37 116.57 116.75 1cb1 h LYS 72 Ca 0.55 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 59.00 1cb1 h LYS 72 Cb 1.45 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.09 1cb1 h LYS 72 CO -0.23 0.75 -0.10 -0.84 -1.08 0.00 0.00 179.45 177.95 1cb1 h ILE 73 N -1.00 0.91 0.00 1.86 3.07 -0.74 -3.29 117.51 118.32 1cb1 h ILE 73 Ca -0.14 -0.36 -0.51 0.00 1.55 0.00 0.00 64.86 65.40 1cb1 h ILE 73 Cb 0.93 1.20 0.02 0.00 -0.27 0.00 0.00 36.82 38.70 1cb1 h ILE 73 CO -0.08 0.10 3.11 -1.20 -1.05 0.00 0.00 178.15 179.02 1cb1 n SER 74 N -4.19 6.83 0.00 2.16 7.64 0.49 -5.07 113.62 121.48 1cb1 n SER 74 Ca -0.03 -2.44 0.00 0.00 1.01 0.00 0.00 58.87 57.41 1cb1 n SER 74 Cb 0.18 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.05 1cb1 n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03