#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bca s SER 2 N 0.00 -0.26 0.24 4.39 1.04 -1.26 -4.98 113.70 112.87 2bca s SER 2 Ca 0.00 -0.10 -0.05 0.00 0.48 0.00 0.00 55.95 56.28 2bca s SER 2 Cb 0.00 0.35 0.43 0.00 0.10 0.00 0.00 66.02 66.90 2bca s SER 2 CO 0.00 -0.59 1.70 -0.65 0.98 0.00 0.00 173.24 174.68 2bca h PRO 3 N 2.00 0.30 0.50 4.02 0.11 -2.05 0.13 132.00 137.01 2bca h PRO 3 Ca -0.21 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.86 2bca h PRO 3 Cb 1.22 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2bca h PRO 3 CO 0.28 0.20 -0.33 1.49 -0.21 0.00 0.00 178.00 179.44 2bca h GLU 4 N 0.31 -0.76 -0.32 1.05 4.81 -1.98 0.62 114.58 118.31 2bca h GLU 4 Ca 0.40 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.71 2bca h GLU 4 Cb 0.65 0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.17 2bca h GLU 4 CO -0.46 -0.51 0.14 0.93 -0.73 0.00 0.00 179.01 178.38 2bca h GLU 5 N -0.79 0.29 -0.19 1.92 5.08 -1.78 0.99 114.58 120.09 2bca h GLU 5 Ca -0.06 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 2bca h GLU 5 Cb 0.66 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 2bca h GLU 5 CO 0.04 0.19 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.12 2bca h LEU 6 N 0.30 -0.21 -0.44 1.33 3.38 -0.64 0.91 115.31 119.94 2bca h LEU 6 Ca 0.14 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2bca h LEU 6 Cb 0.07 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2bca h LEU 6 CO -0.11 -0.08 0.29 0.50 0.09 0.00 0.00 178.44 179.13 2bca h LYS 7 N -0.02 0.58 0.40 1.13 3.64 -0.51 0.11 116.57 121.91 2bca h LYS 7 Ca 0.10 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2bca h LYS 7 Cb 0.17 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 2bca h LYS 7 CO -0.21 0.39 -0.44 0.78 -2.27 0.00 0.00 179.45 177.70 2bca h GLY 8 N 0.60 -1.05 0.95 5.01 0.00 -0.13 0.95 103.07 109.38 2bca h GLY 8 Ca 0.16 0.51 0.01 0.00 0.00 0.00 0.00 47.33 48.01 2bca h GLY 8 CO -0.03 -0.34 0.15 -2.22 0.00 0.00 0.00 176.54 174.10 2bca h ILE 9 N -0.87 1.03 -0.19 2.60 1.08 -0.75 0.72 117.51 121.12 2bca h ILE 9 Ca -0.04 -0.10 0.05 0.00 -0.39 0.00 0.00 64.86 64.38 2bca h ILE 9 Cb 0.78 0.70 -0.07 0.00 -3.07 0.00 0.00 36.82 35.16 2bca h ILE 9 CO -0.09 0.06 -0.40 0.15 -0.69 0.00 0.00 178.15 177.18 2bca h PHE 10 N 0.31 -1.13 0.10 1.37 3.04 -0.57 0.37 116.94 120.43 2bca h PHE 10 Ca 0.10 0.05 -0.00 0.00 3.98 0.00 0.00 57.97 62.10 2bca h PHE 10 Cb -0.01 0.52 -0.00 0.00 2.56 0.00 0.00 35.95 39.02 2bca h PHE 10 CO -0.08 -0.45 -0.07 1.49 -2.02 0.00 0.00 178.31 177.18 2bca h GLU 11 N -0.43 -0.17 -0.52 1.11 4.81 -0.55 0.15 114.58 118.98 2bca h GLU 11 Ca 0.10 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.44 2bca h GLU 11 Cb 0.60 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.93 2bca h GLU 11 CO -0.42 -0.11 0.02 -0.22 -0.73 0.00 0.00 179.01 177.55 2bca h LYS 12 N -0.17 0.14 0.57 1.92 3.64 -0.46 0.53 116.57 122.74 2bca h LYS 12 Ca -0.01 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 2bca h LYS 12 Cb 0.15 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2bca h LYS 12 CO 0.00 0.09 -0.27 1.88 -2.27 0.00 0.00 179.45 178.88 2bca h TYR 13 N 0.14 -0.71 -0.95 1.91 -1.99 -0.73 -3.30 116.97 111.33 2bca h TYR 13 Ca 0.27 -0.02 0.23 0.00 2.00 0.00 0.00 58.73 61.20 2bca h TYR 13 Cb 0.40 0.24 -0.18 0.00 2.00 0.00 0.00 36.73 39.19 2bca h TYR 13 CO -0.30 -0.44 -0.09 0.00 -0.00 0.00 0.00 178.16 177.32 2bca h ALA 14 N -1.28 0.89 -1.37 3.88 0.00 -0.45 -0.66 119.26 120.28 2bca h ALA 14 Ca -0.08 0.35 0.40 0.00 0.00 0.00 0.00 54.91 55.58 2bca h ALA 14 Cb 0.59 0.64 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 2bca h ALA 14 CO 0.13 -0.47 0.97 0.00 0.00 0.00 0.00 179.25 179.88 2bca h ALA 15 N 1.95 3.22 0.00 0.00 0.00 -0.97 0.33 119.26 123.78 2bca h ALA 15 Ca 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2bca h ALA 15 Cb 0.95 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2bca h ALA 15 CO -0.93 -1.63 0.00 0.87 0.00 0.00 0.00 179.25 177.56 2bca h LYS 16 N 0.03 0.00 0.00 0.00 6.56 -1.27 -3.45 116.57 118.44 2bca h LYS 16 Ca 0.67 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.26 2bca h LYS 16 Cb 2.58 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 34.24 2bca h LYS 16 CO -0.05 0.00 0.00 0.39 -2.06 0.00 0.00 179.45 177.73 2bca n GLU 17 N -2.33 0.24 0.00 3.15 1.02 0.10 -5.06 120.64 117.76 2bca n GLU 17 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 2bca n GLU 17 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.73 2bca n GLU 17 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bca n GLY 18 N 0.46 0.00 3.55 0.62 0.00 -1.26 -4.45 105.19 104.10 2bca n GLY 18 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2bca n GLY 18 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bca s ASP 19 N 0.00 -0.66 0.59 1.61 -1.08 -1.25 -5.03 116.67 110.86 2bca s ASP 19 Ca 0.00 0.88 0.29 0.00 -0.52 0.00 0.00 52.55 53.20 2bca s ASP 19 Cb 0.00 0.76 1.41 0.00 -1.46 0.00 0.00 42.92 43.63 2bca s ASP 19 CO 0.00 -0.50 1.81 1.55 0.52 0.00 0.00 175.17 178.55 2bca h PRO 20 N 3.49 0.00 -0.00 4.34 0.13 -1.78 0.14 132.00 138.32 2bca h PRO 20 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2bca h PRO 20 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2bca h PRO 20 CO 0.30 0.00 -0.17 -1.71 -0.23 0.00 0.00 178.00 176.19 2bca n ASN 21 N -3.65 0.18 -3.80 1.44 5.15 -1.26 -4.36 115.26 108.97 2bca n ASN 21 Ca 0.11 0.20 -0.24 0.00 -0.60 0.00 0.00 54.58 54.05 2bca n ASN 21 Cb 0.82 -0.23 -0.17 0.00 -0.53 0.00 0.00 39.78 39.66 2bca n ASN 21 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2bca s GLN 22 N -2.97 0.77 -0.28 1.20 -0.21 0.48 -0.68 119.66 117.98 2bca s GLN 22 Ca 0.14 0.04 -0.22 0.00 0.02 0.00 0.00 55.36 55.34 2bca s GLN 22 Cb 0.19 -1.08 -0.01 0.00 1.00 0.00 0.00 33.01 33.11 2bca s GLN 22 CO 0.58 -0.29 0.70 -0.51 -2.12 0.00 0.00 175.29 173.65 2bca s LEU 23 N 1.91 4.10 1.04 2.90 1.43 -0.05 -3.81 118.68 126.20 2bca s LEU 23 Ca 0.05 0.65 -0.12 0.00 -1.03 0.00 0.00 54.13 53.67 2bca s LEU 23 Cb -0.12 -2.95 0.21 0.00 0.03 0.00 0.00 46.19 43.36 2bca s LEU 23 CO -0.06 -0.50 1.08 -0.94 0.23 0.00 0.00 176.35 176.16 2bca s SER 24 N 1.55 2.24 0.24 2.29 1.04 -1.26 -0.39 113.70 119.40 2bca s SER 24 Ca 0.29 1.29 -0.05 0.00 0.48 0.00 0.00 55.95 57.96 2bca s SER 24 Cb -0.15 -1.98 0.39 0.00 0.10 0.00 0.00 66.02 64.38 2bca s SER 24 CO 0.11 -3.39 1.78 0.50 0.98 0.00 0.00 173.24 173.22 2bca h LYS 25 N -2.07 0.62 0.69 4.02 3.64 -1.97 0.25 116.57 121.74 2bca h LYS 25 Ca -0.56 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 58.75 2bca h LYS 25 Cb 1.33 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 33.01 2bca h LYS 25 CO 0.55 0.41 -0.33 1.49 -2.27 0.00 0.00 179.45 179.31 2bca h GLU 26 N 0.64 -0.89 -1.00 1.90 4.81 -1.95 -0.25 114.58 117.85 2bca h GLU 26 Ca 0.39 0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.73 2bca h GLU 26 Cb 0.43 0.20 -0.06 0.00 0.63 0.00 0.00 28.75 29.96 2bca h GLU 26 CO -0.29 -0.56 0.65 1.49 -0.73 0.00 0.00 179.01 179.57 2bca h GLU 27 N -1.06 1.18 0.29 1.92 4.57 -1.82 -0.00 114.58 119.66 2bca h GLU 27 Ca -0.09 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.01 2bca h GLU 27 Cb 0.74 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 2bca h GLU 27 CO 0.15 0.78 -0.22 1.25 -1.18 0.00 0.00 179.01 179.79 2bca h LEU 28 N 1.22 -0.58 -0.80 1.64 5.85 -0.48 -0.01 115.31 122.15 2bca h LEU 28 Ca 0.41 0.05 0.11 0.00 0.84 0.00 0.00 57.88 59.29 2bca h LEU 28 Cb 0.08 0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.22 2bca h LEU 28 CO -0.14 -0.34 0.42 0.50 -0.34 0.00 0.00 178.44 178.54 2bca h LYS 29 N -0.52 0.66 0.18 1.25 1.63 -0.01 0.18 116.57 119.94 2bca h LYS 29 Ca -0.02 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 2bca h LYS 29 Cb 0.46 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 2bca h LYS 29 CO -0.01 0.44 -0.09 -0.07 -3.45 0.00 0.00 179.45 176.27 2bca h LEU 30 N 0.68 -0.20 0.40 5.20 3.38 -0.57 -0.49 115.31 123.70 2bca h LEU 30 Ca 0.40 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 2bca h LEU 30 Cb 0.45 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2bca h LEU 30 CO -0.29 -0.12 -0.40 0.25 0.09 0.00 0.00 178.44 177.97 2bca h LEU 31 N -0.26 -1.09 -0.48 1.67 6.46 -0.19 -1.28 115.31 120.14 2bca h LEU 31 Ca -0.02 0.09 0.10 0.00 -0.12 0.00 0.00 57.88 57.93 2bca h LEU 31 Cb 0.20 0.36 -0.10 0.00 -0.73 0.00 0.00 40.66 40.40 2bca h LEU 31 CO 0.04 -0.55 -0.19 -0.07 -0.62 0.00 0.00 178.44 177.05 2bca h LEU 32 N -0.82 -0.68 -0.81 2.25 3.38 -0.64 0.13 115.31 118.12 2bca h LEU 32 Ca -0.03 0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.14 2bca h LEU 32 Cb 0.73 0.38 -0.05 0.00 0.09 0.00 0.00 40.66 41.81 2bca h LEU 32 CO -0.07 -0.23 0.52 1.56 0.09 0.00 0.00 178.44 180.31 2bca h GLN 33 N -0.09 0.96 0.14 1.13 4.20 -0.87 0.31 115.11 120.90 2bca h GLN 33 Ca 0.23 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 2bca h GLN 33 Cb 0.44 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2bca h GLN 33 CO -0.54 0.64 -0.07 1.15 -0.67 0.00 0.00 178.83 179.34 2bca h THR 34 N 0.99 1.00 0.09 -0.54 2.02 0.15 -3.29 112.91 113.33 2bca h THR 34 Ca 0.33 -0.69 -0.25 0.00 0.77 0.00 0.00 66.41 66.57 2bca h THR 34 Cb 0.05 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 2bca h THR 34 CO -0.13 0.16 -1.31 -0.33 0.37 0.00 0.00 175.52 174.29 2bca h GLU 35 N -0.53 0.18 -2.10 6.66 4.39 -0.74 -3.43 114.58 119.01 2bca h GLU 35 Ca -0.02 -0.31 -0.54 0.00 0.34 0.00 0.00 59.36 58.84 2bca h GLU 35 Cb 0.41 0.11 -0.41 0.00 -0.10 0.00 0.00 28.75 28.77 2bca h GLU 35 CO 0.03 1.15 -0.96 1.19 -1.16 0.00 0.00 179.01 179.26 2bca n PHE 36 N -4.05 1.60 -0.22 4.33 3.72 0.11 -4.96 117.46 117.99 2bca n PHE 36 Ca -0.25 -3.87 0.15 0.00 -0.05 0.00 0.00 57.45 53.43 2bca n PHE 36 Cb 0.84 -0.44 0.45 0.00 -0.94 0.00 0.00 39.48 39.39 2bca n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2bca h PRO 37 N 3.27 0.51 0.01 -1.08 0.13 -1.58 -1.17 132.00 132.09 2bca h PRO 37 Ca 0.11 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2bca h PRO 37 Cb 0.79 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.80 2bca h PRO 37 CO 0.62 0.34 -0.01 0.66 -0.23 0.00 0.00 178.00 179.39 2bca h SER 38 N 0.53 -0.01 -1.08 1.44 4.64 -1.92 -3.39 113.55 113.76 2bca h SER 38 Ca 0.42 0.00 0.30 0.00 -0.47 0.00 0.00 61.79 62.04 2bca h SER 38 Cb 0.87 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.85 2bca h SER 38 CO -0.17 0.14 0.68 -0.07 -0.87 0.00 0.00 176.83 176.55 2bca h LEU 39 N -0.31 0.44 -1.92 5.97 3.38 -1.94 0.48 115.31 121.41 2bca h LEU 39 Ca -0.00 0.11 0.13 0.00 0.09 0.00 0.00 57.88 58.20 2bca h LEU 39 Cb 0.01 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2bca h LEU 39 CO 0.00 0.02 0.35 0.17 0.09 0.00 0.00 178.44 179.08 2bca h LEU 40 N 0.36 0.08 0.10 1.67 8.10 -1.39 -2.78 115.31 121.44 2bca h LEU 40 Ca 0.65 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.64 2bca h LEU 40 Cb 1.67 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 41.88 2bca h LEU 40 CO -0.36 0.05 -0.05 0.11 -4.11 0.00 0.00 178.44 174.08 2bca h LYS 41 N 0.09 -0.13 0.00 0.17 1.57 -1.10 -3.46 116.57 113.71 2bca h LYS 41 Ca 0.24 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2bca h LYS 41 Cb 0.82 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2bca h LYS 41 CO -0.02 -0.09 0.00 0.41 -0.57 0.00 0.00 179.45 179.18 2bca n GLY 42 N 1.39 -0.17 1.48 3.86 0.00 -1.05 -1.04 105.19 109.66 2bca n GLY 42 Ca -0.02 0.30 -0.00 0.00 0.00 0.00 0.00 46.02 46.31 2bca n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bca n GLY 43 N 0.00 -0.88 3.44 -0.02 0.00 -1.26 -5.09 105.19 101.39 2bca n GLY 43 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 2bca n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bca s SER 44 N -0.04 -0.32 0.63 1.61 0.01 -0.20 -5.14 113.70 110.25 2bca s SER 44 Ca 0.00 -0.33 -0.07 0.00 1.31 0.00 0.00 55.95 56.86 2bca s SER 44 Cb 0.01 0.55 0.01 0.00 0.21 0.00 0.00 66.02 66.81 2bca s SER 44 CO -0.00 -0.98 0.96 0.42 0.41 0.00 0.00 173.24 174.05 2bca s THR 45 N -3.83 3.51 0.23 1.44 -4.23 -1.26 -4.70 115.64 106.80 2bca s THR 45 Ca 0.05 0.10 -0.07 0.00 -1.18 0.00 0.00 61.69 60.59 2bca s THR 45 Cb -0.00 -3.43 0.18 0.00 1.34 0.00 0.00 72.50 70.59 2bca s THR 45 CO -0.08 -0.47 1.82 0.25 -0.54 0.00 0.00 174.62 175.60 2bca h LEU 46 N -0.33 0.65 0.44 4.79 5.85 -1.95 0.21 115.31 124.98 2bca h LEU 46 Ca -0.45 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 2bca h LEU 46 Cb 1.26 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 2bca h LEU 46 CO 0.61 0.41 -0.25 0.44 -0.34 0.00 0.00 178.44 179.31 2bca h ASP 47 N 0.78 -0.61 -0.18 1.25 3.32 -1.98 0.20 116.42 119.20 2bca h ASP 47 Ca 0.34 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.46 2bca h ASP 47 Cb 0.22 0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.90 2bca h ASP 47 CO -0.19 -0.40 -0.11 -0.33 -1.72 0.00 0.00 179.24 176.49 2bca h GLU 48 N -0.65 -0.09 0.05 3.56 5.08 -1.83 0.87 114.58 121.56 2bca h GLU 48 Ca -0.05 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2bca h GLU 48 Cb 0.52 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2bca h GLU 48 CO 0.07 -0.06 -0.12 1.25 -1.00 0.00 0.00 179.01 179.14 2bca h LEU 49 N -0.10 -0.34 -0.30 1.33 5.85 -0.83 0.68 115.31 121.59 2bca h LEU 49 Ca 0.10 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.93 2bca h LEU 49 Cb 0.25 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.35 2bca h LEU 49 CO -0.24 -0.18 -0.16 0.15 -0.34 0.00 0.00 178.44 177.67 2bca h PHE 50 N -0.23 -0.39 -0.24 1.25 3.57 -0.22 0.61 116.94 121.29 2bca h PHE 50 Ca 0.03 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.58 2bca h PHE 50 Cb 0.26 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 2bca h PHE 50 CO -0.16 -0.23 0.09 0.93 -2.23 0.00 0.00 178.31 176.71 2bca h GLU 51 N -0.12 0.21 -0.60 1.11 5.08 -0.52 0.20 114.58 119.94 2bca h GLU 51 Ca 0.16 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.58 2bca h GLU 51 Cb 0.36 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 2bca h GLU 51 CO -0.37 0.14 0.28 1.49 -1.00 0.00 0.00 179.01 179.54 2bca h GLU 52 N 0.21 0.49 0.44 2.33 4.81 -0.12 -3.11 114.58 119.63 2bca h GLU 52 Ca 0.10 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2bca h GLU 52 Cb 0.05 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.33 2bca h GLU 52 CO -0.09 0.33 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.23 2bca h LEU 53 N 0.51 -0.50 -5.42 1.64 3.38 -0.50 -3.34 115.31 111.08 2bca h LEU 53 Ca 0.29 -0.03 -0.61 0.00 0.09 0.00 0.00 57.88 57.63 2bca h LEU 53 Cb 0.27 0.13 0.02 0.00 0.09 0.00 0.00 40.66 41.16 2bca h LEU 53 CO -0.23 -0.07 3.29 -0.67 0.09 0.00 0.00 178.44 180.85 2bca n ASP 54 N -5.17 6.38 -0.29 -0.43 2.03 0.68 -4.63 116.55 115.11 2bca n ASP 54 Ca -0.08 -2.57 0.10 0.00 0.52 0.00 0.00 54.79 52.76 2bca n ASP 54 Cb 0.25 -1.43 0.33 0.00 -0.72 0.00 0.00 41.12 39.55 2bca n ASP 54 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2bca h LYS 55 N 5.76 0.78 0.00 -0.67 1.57 -1.68 0.10 116.57 122.43 2bca h LYS 55 Ca 0.69 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.42 2bca h LYS 55 Cb 0.35 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 2bca h LYS 55 CO 1.74 0.52 -0.01 -0.97 -0.57 0.00 0.00 179.45 180.16 2bca h ASN 56 N 0.80 0.00 -3.87 0.86 -1.24 -1.89 -3.46 115.58 106.78 2bca h ASN 56 Ca 0.45 0.00 -0.40 0.00 0.71 0.00 0.00 56.30 57.06 2bca h ASN 56 Cb 0.60 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.66 2bca h ASN 56 CO -0.21 0.01 -0.56 0.61 -1.29 0.00 0.00 177.43 175.98 2bca n GLY 57 N -0.92 -0.51 0.16 1.57 0.00 0.36 -4.90 105.19 100.94 2bca n GLY 57 Ca -0.02 0.07 0.04 0.00 0.00 0.00 0.00 46.02 46.11 2bca n GLY 57 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2bca h ASP 58 N -0.70 0.00 0.00 1.61 3.04 -1.90 -3.47 116.42 114.99 2bca h ASP 58 Ca -0.50 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.29 2bca h ASP 58 Cb 1.36 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.65 2bca h ASP 58 CO 0.56 0.42 0.00 0.61 -2.04 0.00 0.00 179.24 178.79 2bca n GLY 59 N 0.99 1.73 3.19 7.15 0.00 -1.26 -5.11 105.19 111.89 2bca n GLY 59 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 2bca n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bca s GLU 60 N 0.00 0.90 -0.47 1.61 8.01 -1.26 -4.10 118.70 123.40 2bca s GLU 60 Ca 0.00 -1.39 -0.19 0.00 0.01 0.00 0.00 54.97 53.40 2bca s GLU 60 Cb 0.00 -0.20 0.04 0.00 -4.31 0.00 0.00 34.13 29.66 2bca s GLU 60 CO 0.00 -0.05 0.58 0.08 0.01 0.00 0.00 175.26 175.88 2bca s VAL 61 N -3.65 4.92 0.86 2.63 1.01 0.48 -4.72 120.40 121.92 2bca s VAL 61 Ca 0.15 -0.31 -0.11 0.00 0.00 0.00 0.00 61.98 61.71 2bca s VAL 61 Cb 0.06 -4.21 0.11 0.00 0.00 0.00 0.00 36.38 32.33 2bca s VAL 61 CO -0.02 -0.66 1.09 -0.94 0.00 0.00 0.00 175.10 174.57 2bca s SER 62 N 2.29 3.81 0.38 3.32 1.04 -1.26 -0.88 113.70 122.41 2bca s SER 62 Ca 0.16 1.59 0.10 0.00 0.48 0.00 0.00 55.95 58.28 2bca s SER 62 Cb -0.17 -2.28 0.86 0.00 0.10 0.00 0.00 66.02 64.53 2bca s SER 62 CO 0.14 -2.44 1.92 0.15 0.98 0.00 0.00 173.24 173.99 2bca h PHE 63 N -1.41 0.69 0.70 5.02 3.57 -1.26 0.23 116.94 124.47 2bca h PHE 63 Ca -0.47 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.01 2bca h PHE 63 Cb 1.27 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 39.79 2bca h PHE 63 CO 0.47 0.31 -0.34 1.49 -2.23 0.00 0.00 178.31 178.01 2bca h GLU 64 N 0.63 -0.91 -0.94 1.11 4.81 -1.91 -2.91 114.58 114.46 2bca h GLU 64 Ca 0.36 0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.75 2bca h GLU 64 Cb 0.56 0.21 -0.07 0.00 0.63 0.00 0.00 28.75 30.07 2bca h GLU 64 CO -0.14 -0.59 0.61 0.93 -0.73 0.00 0.00 179.01 179.09 2bca h GLU 65 N -1.01 0.95 -0.36 1.92 4.39 -1.66 -0.86 114.58 117.95 2bca h GLU 65 Ca -0.10 -0.06 0.10 0.00 0.34 0.00 0.00 59.36 59.65 2bca h GLU 65 Cb 0.74 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 2bca h GLU 65 CO 0.16 0.63 0.36 0.35 -1.16 0.00 0.00 179.01 179.35 2bca h PHE 66 N 0.98 0.00 -0.21 4.33 3.57 -0.39 0.09 116.94 125.31 2bca h PHE 66 Ca 0.43 0.00 0.06 0.00 3.53 0.00 0.00 57.97 62.00 2bca h PHE 66 Cb 0.36 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 2bca h PHE 66 CO -0.00 0.00 0.17 1.96 -2.23 0.00 0.00 178.31 178.21 2bca h GLN 67 N 0.00 0.00 -0.50 1.11 1.08 -1.01 0.18 115.11 115.97 2bca h GLN 67 Ca 0.17 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.32 2bca h GLN 67 Cb 0.89 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.29 2bca h GLN 67 CO -0.00 0.00 0.12 0.28 -0.95 0.00 0.00 178.83 178.27 2bca h VAL 68 N 0.00 1.24 0.04 -0.54 2.07 -1.15 0.94 116.25 118.85 2bca h VAL 68 Ca 0.10 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 2bca h VAL 68 Cb 0.45 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2bca h VAL 68 CO -0.00 0.31 -0.02 0.25 0.02 0.00 0.00 177.57 178.13 2bca h LEU 69 N 0.69 -0.04 -0.37 2.57 7.12 -0.84 0.44 115.31 124.88 2bca h LEU 69 Ca 0.16 -0.06 0.08 0.00 0.13 0.00 0.00 57.88 58.18 2bca h LEU 69 Cb 0.34 0.01 -0.08 0.00 -0.53 0.00 0.00 40.66 40.41 2bca h LEU 69 CO 0.00 0.03 -0.14 0.58 -0.13 0.00 0.00 178.44 178.79 2bca h VAL 70 N -0.12 0.53 -0.19 1.05 2.07 -0.86 0.13 116.25 118.86 2bca h VAL 70 Ca -0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 2bca h VAL 70 Cb 0.10 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 2bca h VAL 70 CO 0.01 0.00 -0.02 0.50 0.02 0.00 0.00 177.57 178.08 2bca h LYS 71 N -0.07 0.04 0.22 1.57 3.64 -0.46 0.40 116.57 121.91 2bca h LYS 71 Ca 0.18 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.57 2bca h LYS 71 Cb 0.35 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 2bca h LYS 71 CO -0.42 0.02 -0.26 0.87 -2.27 0.00 0.00 179.45 177.40 2bca h LYS 72 N 0.04 -0.51 -0.87 1.90 1.79 0.03 0.66 116.57 119.61 2bca h LYS 72 Ca 0.09 0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.59 2bca h LYS 72 Cb 0.12 0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 30.85 2bca h LYS 72 CO -0.17 -0.34 0.53 -0.84 -1.08 0.00 0.00 179.45 177.55 2bca h ILE 73 N -0.53 1.24 -0.62 1.86 3.07 -0.84 -1.94 117.51 119.76 2bca h ILE 73 Ca 0.00 -0.53 0.00 0.00 1.55 0.00 0.00 64.86 65.89 2bca h ILE 73 Cb 0.51 0.01 -0.03 0.00 -0.27 0.00 0.00 36.82 37.04 2bca h ILE 73 CO -0.09 0.25 0.40 0.28 -1.05 0.00 0.00 178.15 177.95 2bca h SER 74 N 1.20 0.71 -0.01 2.16 0.02 -0.54 -3.51 113.55 113.58 2bca h SER 74 Ca 0.31 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 2bca h SER 74 Cb -0.05 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.31 2bca h SER 74 CO -0.06 0.52 0.00 0.00 -1.14 0.00 0.00 176.83 176.15