#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2elj n SER 2 N 0.00 -3.21 -4.37 1.61 2.88 -1.26 -5.03 113.62 104.24 2elj n SER 2 Ca 0.00 -0.03 -0.21 0.00 -1.33 0.00 0.00 58.87 57.30 2elj n SER 2 Cb 0.00 -2.41 -0.10 0.00 -0.75 0.00 0.00 64.21 60.95 2elj n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2elj s SER 3 N -2.66 2.18 0.00 -3.46 0.15 -1.26 -5.01 113.70 103.64 2elj s SER 3 Ca 0.03 -1.42 0.00 0.00 0.70 0.00 0.00 55.95 55.26 2elj s SER 3 Cb -0.01 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 2elj s SER 3 CO 0.04 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.40 2elj n GLY 4 N -0.67 -1.17 3.56 9.45 0.00 -1.26 -5.12 105.19 109.98 2elj n GLY 4 Ca -0.02 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 2elj n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2elj s SER 5 N -0.60 -0.83 -0.12 1.61 0.01 -1.26 -5.16 113.70 107.35 2elj s SER 5 Ca 0.00 1.37 -0.06 0.00 1.31 0.00 0.00 55.95 58.57 2elj s SER 5 Cb 0.00 1.26 -0.04 0.00 0.21 0.00 0.00 66.02 67.45 2elj s SER 5 CO 0.00 -0.23 0.11 -0.55 0.41 0.00 0.00 173.24 172.98 2elj s SER 6 N 1.45 6.12 0.00 2.44 0.15 -1.26 -4.80 113.70 117.80 2elj s SER 6 Ca -0.09 0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.94 2elj s SER 6 Cb -0.06 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 2elj s SER 6 CO -0.16 0.38 0.00 0.61 1.20 0.00 0.00 173.24 175.27 2elj n GLY 7 N 2.19 -0.47 3.51 9.45 0.00 -1.26 -5.11 105.19 113.50 2elj n GLY 7 Ca -0.19 0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2elj n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2elj s ASN 8 N -3.16 4.92 -0.30 1.61 2.47 -1.26 -5.08 114.94 114.14 2elj s ASN 8 Ca 0.00 -0.11 -0.10 0.00 0.42 0.00 0.00 52.86 53.07 2elj s ASN 8 Cb 0.00 -1.82 0.13 0.00 -1.45 0.00 0.00 41.25 38.12 2elj s ASN 8 CO 0.00 0.16 0.66 -0.32 -3.72 0.00 0.00 177.10 173.88 2elj s MET 9 N 0.45 0.57 0.01 0.43 1.75 -1.26 -5.11 119.30 116.13 2elj s MET 9 Ca -0.02 1.43 0.05 0.00 -1.25 0.00 0.00 55.69 55.89 2elj s MET 9 Cb -0.14 0.86 -0.02 0.00 2.84 0.00 0.00 34.83 38.37 2elj s MET 9 CO 0.02 -0.20 -0.15 0.95 -0.65 0.00 0.00 175.02 175.00 2elj s THR 10 N 2.88 1.19 0.25 10.11 -4.23 -1.26 -5.04 115.64 119.54 2elj s THR 10 Ca -0.06 -0.77 -0.03 0.00 -1.18 0.00 0.00 61.69 59.66 2elj s THR 10 Cb -0.12 -1.02 0.23 0.00 1.34 0.00 0.00 72.50 72.94 2elj s THR 10 CO -0.19 0.23 1.74 0.40 -0.54 0.00 0.00 174.62 176.27 2elj h ILE 11 N 4.67 0.68 -1.10 2.99 2.04 -1.94 -1.03 117.51 123.82 2elj h ILE 11 Ca -0.36 -0.18 0.40 0.00 1.00 0.00 0.00 64.86 65.72 2elj h ILE 11 Cb 1.16 0.12 -0.14 0.00 -0.74 0.00 0.00 36.82 37.23 2elj h ILE 11 CO 0.47 0.09 0.67 -1.20 0.00 0.00 0.00 178.15 178.19 2elj n SER 12 N -4.95 0.23 0.21 1.72 7.64 -1.26 0.79 113.62 118.00 2elj n SER 12 Ca 0.16 1.31 -0.14 0.00 1.01 0.00 0.00 58.87 61.21 2elj n SER 12 Cb 0.43 -0.64 -0.08 0.00 -1.01 0.00 0.00 64.21 62.91 2elj n SER 12 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2elj h ASP 13 N 0.00 -0.44 -0.99 6.43 3.58 -1.55 0.81 116.42 124.26 2elj h ASP 13 Ca 0.77 -0.10 0.09 0.00 0.42 0.00 0.00 57.03 58.21 2elj h ASP 13 Cb 2.32 0.11 -0.07 0.00 1.72 0.00 0.00 39.33 43.41 2elj h ASP 13 CO -0.51 -0.14 0.63 0.40 -2.88 0.00 0.00 179.24 176.74 2elj h ILE 14 N -0.74 1.01 0.00 2.25 2.04 0.27 -0.34 117.51 122.00 2elj h ILE 14 Ca -0.05 -0.37 -0.11 0.00 1.00 0.00 0.00 64.86 65.32 2elj h ILE 14 Cb 0.51 -0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 2elj h ILE 14 CO 0.09 0.20 -0.54 1.56 0.00 0.00 0.00 178.15 179.45 2elj h GLN 15 N 1.08 0.00 -1.00 2.37 4.20 -1.11 -2.98 115.11 117.67 2elj h GLN 15 Ca 0.46 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.64 2elj h GLN 15 Cb 0.31 0.00 -0.30 0.00 0.30 0.00 0.00 27.48 27.79 2elj h GLN 15 CO -0.22 0.54 0.68 1.58 -0.67 0.00 0.00 178.83 180.74 2elj n HIS 16 N -3.75 3.05 -3.69 2.96 -0.00 0.27 -4.92 115.22 109.14 2elj n HIS 16 Ca -0.01 -1.99 -0.35 0.00 0.46 0.00 0.00 57.72 55.83 2elj n HIS 16 Cb 0.58 -1.01 -0.05 0.00 -0.12 0.00 0.00 29.99 29.38 2elj n HIS 16 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2elj s ALA 17 N -3.31 3.80 0.20 1.57 0.00 -0.73 -4.95 121.76 118.34 2elj s ALA 17 Ca 0.57 -0.49 0.26 0.00 0.00 0.00 0.00 51.96 52.30 2elj s ALA 17 Cb 0.48 -2.15 1.12 0.00 0.00 0.00 0.00 23.12 22.56 2elj s ALA 17 CO 0.09 0.61 1.91 -1.00 0.00 0.00 0.00 175.76 177.37 2elj h PRO 18 N 3.98 0.00 -0.77 0.00 0.13 -1.91 -3.14 132.00 130.30 2elj h PRO 18 Ca -0.50 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.12 2elj h PRO 18 Cb 1.20 0.00 -0.43 0.00 0.13 0.00 0.00 31.00 31.90 2elj h PRO 18 CO 0.66 0.17 -0.86 -0.25 -0.23 0.00 0.00 178.00 177.49 2elj n ASP 19 N -3.40 4.45 -0.08 1.44 9.92 -1.26 -4.71 116.55 122.91 2elj n ASP 19 Ca -0.00 -3.52 -0.11 0.00 -0.53 0.00 0.00 54.79 50.63 2elj n ASP 19 Cb 0.37 -0.37 -0.08 0.00 -0.64 0.00 0.00 41.12 40.40 2elj n ASP 19 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2elj n TYR 20 N -0.67 0.00 -0.17 1.24 9.36 -1.18 -4.60 117.16 121.14 2elj n TYR 20 Ca 0.39 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.57 2elj n TYR 20 Cb 0.92 -0.65 0.05 0.00 -0.63 0.00 0.00 39.34 39.04 2elj n TYR 20 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2elj h ALA 21 N 0.07 0.66 -1.65 2.98 0.00 -1.84 -1.55 119.26 117.92 2elj h ALA 21 Ca -0.38 0.02 0.48 0.00 0.00 0.00 0.00 54.91 55.04 2elj h ALA 21 Cb 1.61 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.26 2elj h ALA 21 CO -0.05 -0.09 1.18 1.37 0.00 0.00 0.00 179.25 181.65 2elj h LEU 22 N 0.50 0.03 -9.86 0.00 8.10 -1.90 -3.41 115.31 108.77 2elj h LEU 22 Ca 0.23 0.01 -0.50 0.00 0.11 0.00 0.00 57.88 57.73 2elj h LEU 22 Cb 0.14 0.01 0.22 0.00 -0.44 0.00 0.00 40.66 40.59 2elj h LEU 22 CO -0.16 -0.02 -0.53 0.18 -4.11 0.00 0.00 178.44 173.80 2elj n LEU 23 N -4.10 -0.35 -4.99 0.17 4.77 -0.58 -5.01 117.00 106.90 2elj n LEU 23 Ca 0.38 0.18 -0.22 0.00 -0.03 0.00 0.00 56.01 56.31 2elj n LEU 23 Cb 1.70 -1.19 0.08 0.00 -2.33 0.00 0.00 43.42 41.68 2elj n LEU 23 CO 0.41 -3.24 0.46 -0.55 -1.33 0.00 0.00 177.39 173.14 2elj s SER 24 N -2.10 4.74 0.16 -1.43 0.15 -1.26 -4.87 113.70 109.09 2elj s SER 24 Ca 0.59 -0.34 -0.16 0.00 0.70 0.00 0.00 55.95 56.75 2elj s SER 24 Cb -0.19 -0.22 0.10 0.00 -1.71 0.00 0.00 66.02 63.99 2elj s SER 24 CO 0.65 -1.56 1.72 0.78 1.20 0.00 0.00 173.24 176.04 2elj h ASN 25 N -0.23 0.00 0.49 5.45 2.35 -1.95 -0.59 115.58 121.10 2elj h ASN 25 Ca -0.37 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.42 2elj h ASN 25 Cb 1.28 0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.75 2elj h ASN 25 CO 0.44 0.04 -0.23 0.44 -1.65 0.00 0.00 177.43 176.46 2elj h ASP 26 N 0.20 -0.56 -0.97 5.81 5.19 -2.01 -3.06 116.42 121.02 2elj h ASP 26 Ca 0.19 0.02 0.30 0.00 -0.62 0.00 0.00 57.03 56.92 2elj h ASP 26 Cb 0.22 0.14 -0.18 0.00 0.18 0.00 0.00 39.33 39.70 2elj h ASP 26 CO -0.25 -0.18 0.20 -0.33 -3.12 0.00 0.00 179.24 175.55 2elj h GLU 27 N -1.08 0.04 -0.28 3.56 5.08 -1.93 0.52 114.58 120.49 2elj h GLU 27 Ca -0.07 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 2elj h GLU 27 Cb 0.50 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 2elj h GLU 27 CO 0.11 0.03 0.06 1.96 -1.00 0.00 0.00 179.01 180.17 2elj h GLN 28 N 0.04 0.16 -0.04 2.33 4.20 -1.13 -2.03 115.11 118.64 2elj h GLN 28 Ca 0.66 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 59.37 2elj h GLN 28 Cb 1.47 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 29.17 2elj h GLN 28 CO -0.84 0.11 -0.40 1.96 -0.67 0.00 0.00 178.83 178.99 2elj h GLN 29 N 0.17 -0.45 -0.09 1.46 1.08 0.15 -2.04 115.11 115.38 2elj h GLN 29 Ca 0.13 0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.38 2elj h GLN 29 Cb 0.13 0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.61 2elj h GLN 29 CO -0.16 -0.30 -0.47 1.25 -0.95 0.00 0.00 178.83 178.20 2elj h LEU 30 N -0.47 -1.48 -0.88 1.46 5.85 -1.38 -0.62 115.31 117.79 2elj h LEU 30 Ca 0.01 0.17 0.28 0.00 0.84 0.00 0.00 57.88 59.19 2elj h LEU 30 Cb 0.52 0.57 -0.16 0.00 0.37 0.00 0.00 40.66 41.96 2elj h LEU 30 CO -0.29 -0.43 0.16 0.00 -0.34 0.00 0.00 178.44 177.55 2elj h ILE 32 N 0.00 1.31 0.76 0.00 2.04 -0.43 0.37 117.51 121.56 2elj h ILE 32 Ca 0.60 -1.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 2elj h ILE 32 Cb 1.37 1.65 0.01 0.00 -0.74 0.00 0.00 36.82 39.10 2elj h ILE 32 CO -0.78 0.36 -0.37 1.56 0.00 0.00 0.00 178.15 178.93 2elj h GLN 33 N 0.13 -0.98 0.00 2.37 4.20 0.23 -2.78 115.11 118.27 2elj h GLN 33 Ca 0.04 0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2elj h GLN 33 Cb 0.60 0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.60 2elj h GLN 33 CO 0.03 -0.64 0.00 1.28 -0.67 0.00 0.00 178.83 178.83 2elj n LEU 34 N -5.46 0.00 -4.00 1.46 4.77 0.15 -4.86 117.00 109.06 2elj n LEU 34 Ca -0.13 0.03 -0.32 0.00 -0.03 0.00 0.00 56.01 55.56 2elj n LEU 34 Cb 0.41 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.48 2elj n LEU 34 CO 0.32 -0.01 0.08 0.29 -1.33 0.00 0.00 177.39 176.74 2elj n LYS 35 N -1.03 -4.93 -3.98 3.23 5.02 0.73 -4.96 118.16 112.25 2elj n LYS 35 Ca 0.16 0.54 -0.28 0.00 -2.02 0.00 0.00 58.31 56.71 2elj n LYS 35 Cb 0.08 -5.39 -0.04 0.00 -0.02 0.00 0.00 35.03 29.66 2elj n LYS 35 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2elj s ILE 36 N -3.29 5.09 0.35 -0.18 1.01 0.96 -4.96 121.20 120.18 2elj s ILE 36 Ca 0.69 -0.70 -0.03 0.00 0.00 0.00 0.00 60.65 60.61 2elj s ILE 36 Cb -0.35 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 2elj s ILE 36 CO 0.86 -0.02 0.60 -0.76 0.00 0.00 0.00 174.94 175.63 2elj s LEU 37 N -2.94 3.95 0.47 2.97 1.43 -1.26 -4.60 118.68 118.69 2elj s LEU 37 Ca 0.33 0.67 0.25 0.00 -1.03 0.00 0.00 54.13 54.35 2elj s LEU 37 Cb -0.11 -3.53 1.08 0.00 0.03 0.00 0.00 46.19 43.65 2elj s LEU 37 CO 0.27 -0.32 1.90 1.55 0.23 0.00 0.00 176.35 179.97 2elj h PRO 38 N 1.01 0.00 0.70 1.29 0.13 -1.92 -2.14 132.00 131.07 2elj h PRO 38 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 2elj h PRO 38 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 2elj h PRO 38 CO 0.63 0.19 -0.33 -0.22 -0.23 0.00 0.00 178.00 178.04 2elj h LYS 39 N 0.00 -0.90 -0.24 0.86 3.64 -1.95 -2.13 116.57 115.86 2elj h LYS 39 Ca -0.00 0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 2elj h LYS 39 Cb 0.63 0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.66 2elj h LYS 39 CO 0.02 -0.57 -0.24 -1.00 -2.27 0.00 0.00 179.45 175.40 2elj h PRO 40 N -1.11 0.58 -0.06 1.90 0.13 -1.98 -1.23 132.00 130.24 2elj h PRO 40 Ca -0.10 -0.31 0.02 0.00 -0.87 0.00 0.00 66.00 64.74 2elj h PRO 40 Cb 0.75 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 2elj h PRO 40 CO 0.16 0.90 0.09 -0.92 -0.23 0.00 0.00 178.00 178.00 2elj h TYR 41 N 0.29 0.00 0.04 1.56 3.20 -1.47 0.11 116.97 120.70 2elj h TYR 41 Ca 0.04 0.00 -0.29 0.00 3.14 0.00 0.00 58.73 61.62 2elj h TYR 41 Cb 0.79 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.03 2elj h TYR 41 CO 0.08 0.00 -1.58 1.28 -1.64 0.00 0.00 178.16 176.29 2elj n LEU 42 N -3.62 2.13 -0.09 2.82 4.77 -0.80 -2.99 117.00 119.22 2elj n LEU 42 Ca -0.01 0.34 -0.09 0.00 -0.03 0.00 0.00 56.01 56.22 2elj n LEU 42 Cb 0.18 -1.01 -0.02 0.00 -2.33 0.00 0.00 43.42 40.24 2elj n LEU 42 CO 0.25 0.49 0.98 1.62 -1.33 0.00 0.00 177.39 179.40 2elj h VAL 43 N -0.64 1.10 -0.22 4.08 3.04 -0.79 -2.52 116.25 120.30 2elj h VAL 43 Ca -0.39 -0.23 -0.13 0.00 -1.01 0.00 0.00 66.70 64.94 2elj h VAL 43 Cb 1.57 0.69 -0.01 0.00 -2.01 0.00 0.00 31.29 31.53 2elj h VAL 43 CO -0.12 0.10 -0.40 0.17 -1.01 0.00 0.00 177.57 176.31 2elj h LEU 44 N 0.41 0.53 -1.66 3.16 8.10 -1.00 -2.90 115.31 121.95 2elj h LEU 44 Ca 0.11 -0.23 0.06 0.00 0.11 0.00 0.00 57.88 57.93 2elj h LEU 44 Cb -0.01 -0.15 -0.03 0.00 -0.44 0.00 0.00 40.66 40.04 2elj h LEU 44 CO -0.02 0.88 0.32 0.50 -4.11 0.00 0.00 178.44 176.01 2elj h LYS 45 N 0.42 0.41 -0.27 0.17 3.64 -1.38 -0.71 116.57 118.86 2elj h LYS 45 Ca 0.04 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 2elj h LYS 45 Cb 0.88 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 2elj h LYS 45 CO 0.08 0.27 -0.12 1.49 -2.27 0.00 0.00 179.45 178.90 2elj h GLU 46 N 0.43 0.44 -0.23 1.90 4.57 -1.24 -2.68 114.58 117.76 2elj h GLU 46 Ca 0.21 -0.12 -0.11 0.00 -1.18 0.00 0.00 59.36 58.16 2elj h GLU 46 Cb 0.28 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.81 2elj h GLU 46 CO -0.05 0.56 -0.27 0.28 -1.18 0.00 0.00 179.01 178.35 2elj h VAL 47 N 0.41 1.32 0.64 0.32 2.07 -1.20 -2.61 116.25 117.19 2elj h VAL 47 Ca 0.08 -1.45 -0.03 0.00 0.82 0.00 0.00 66.70 66.12 2elj h VAL 47 Cb 0.46 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 2elj h VAL 47 CO 0.03 0.45 -0.45 0.24 0.02 0.00 0.00 177.57 177.86 2elj h MET 48 N 0.29 -1.00 -0.62 1.57 2.86 -1.28 0.20 114.93 116.95 2elj h MET 48 Ca 0.03 0.07 0.13 0.00 -2.06 0.00 0.00 59.70 57.87 2elj h MET 48 Cb 0.83 0.23 -0.10 0.00 0.06 0.00 0.00 31.60 32.62 2elj h MET 48 CO 0.06 -0.67 0.06 0.74 1.06 0.00 0.00 176.91 178.17 2elj h PHE 49 N -1.04 0.06 0.91 -0.22 0.04 -1.58 0.28 116.94 115.40 2elj h PHE 49 Ca -0.08 0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.68 2elj h PHE 49 Cb 0.85 0.07 0.01 0.00 2.20 0.00 0.00 35.95 39.07 2elj h PHE 49 CO -0.13 -0.12 -0.46 -0.09 -0.60 0.00 0.00 178.31 176.91 2elj h ARG 50 N 0.17 -1.21 -0.41 1.51 2.43 -1.25 -1.19 114.38 114.44 2elj h ARG 50 Ca 0.33 0.08 0.12 0.00 -0.81 0.00 0.00 59.98 59.70 2elj h ARG 50 Cb 0.53 0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 2elj h ARG 50 CO -0.49 -0.80 0.36 1.49 -1.51 0.00 0.00 179.97 179.02 2elj h GLU 51 N -1.25 0.00 0.36 0.20 4.57 -0.18 0.23 114.58 118.51 2elj h GLU 51 Ca -0.13 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.04 2elj h GLU 51 Cb 0.97 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 2elj h GLU 51 CO 0.19 0.00 -0.17 -0.07 -1.18 0.00 0.00 179.01 177.78 2elj h LEU 52 N 0.00 -0.41 -1.22 1.64 3.38 0.04 -1.73 115.31 117.01 2elj h LEU 52 Ca 0.19 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.25 2elj h LEU 52 Cb 0.91 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.71 2elj h LEU 52 CO -0.00 -0.14 0.56 0.17 0.09 0.00 0.00 178.44 179.12 2elj h LEU 53 N -0.81 0.82 -0.26 1.67 8.10 -0.85 0.39 115.31 124.37 2elj h LEU 53 Ca -0.05 0.01 -0.01 0.00 0.11 0.00 0.00 57.88 57.94 2elj h LEU 53 Cb 0.37 -0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 40.42 2elj h LEU 53 CO 0.08 0.52 0.14 0.50 -4.11 0.00 0.00 178.44 175.57 2elj h LYS 54 N 0.93 0.37 -0.97 0.17 3.64 -1.03 -2.37 116.57 117.30 2elj h LYS 54 Ca 0.37 -0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 59.48 2elj h LYS 54 Cb 0.25 -0.07 -0.14 0.00 -0.41 0.00 0.00 32.23 31.87 2elj h LYS 54 CO -0.14 0.34 0.29 0.25 -2.27 0.00 0.00 179.45 177.92 2elj n THR 55 N -4.83 2.03 -2.31 1.00 -2.24 -0.65 -4.85 114.28 102.42 2elj n THR 55 Ca -0.02 -0.94 -0.03 0.00 -2.27 0.00 0.00 64.05 60.79 2elj n THR 55 Cb 0.08 -0.68 -0.00 0.00 -2.10 0.00 0.00 70.33 67.63 2elj n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2elj n GLY 56 N -0.25 -0.41 1.29 3.38 0.00 -0.79 -1.33 105.19 107.09 2elj n GLY 56 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2elj n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2elj n GLY 57 N -0.50 0.90 1.71 -0.02 0.00 0.13 -4.98 105.19 102.42 2elj n GLY 57 Ca -0.03 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 2elj n GLY 57 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2elj n ASN 58 N -1.29 3.54 -4.42 1.61 5.15 -0.44 -5.00 115.26 114.40 2elj n ASN 58 Ca 0.00 -3.53 -0.44 0.00 -0.60 0.00 0.00 54.58 50.01 2elj n ASN 58 Cb 0.44 -0.40 -0.07 0.00 -0.53 0.00 0.00 39.78 39.22 2elj n ASN 58 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2elj s LEU 59 N -3.36 5.19 0.56 1.20 2.96 -1.26 -5.06 118.68 118.91 2elj s LEU 59 Ca 0.44 -1.07 -0.03 0.00 -0.22 0.00 0.00 54.13 53.26 2elj s LEU 59 Cb 0.39 -2.36 0.02 0.00 0.50 0.00 0.00 46.19 44.73 2elj s LEU 59 CO -0.01 -0.83 0.83 -0.55 -1.32 0.00 0.00 176.35 174.47 2elj s SER 60 N 2.71 5.52 0.07 3.68 0.15 -1.26 -4.89 113.70 119.68 2elj s SER 60 Ca 0.11 0.44 -0.30 0.00 0.70 0.00 0.00 55.95 56.91 2elj s SER 60 Cb -0.21 -1.45 -0.14 0.00 -1.71 0.00 0.00 66.02 62.51 2elj s SER 60 CO 0.10 -1.03 1.47 0.50 1.20 0.00 0.00 173.24 175.47 2elj h LYS 61 N -0.01 -0.79 -0.70 5.44 1.63 -2.00 0.10 116.57 120.24 2elj h LYS 61 Ca -0.45 0.05 0.12 0.00 -0.85 0.00 0.00 60.65 59.53 2elj h LYS 61 Cb 1.27 0.18 -0.09 0.00 -0.60 0.00 0.00 32.23 32.99 2elj h LYS 61 CO 0.58 -0.52 0.27 0.77 -3.45 0.00 0.00 179.45 177.10 2elj h SER 62 N -0.82 0.25 -0.40 4.20 0.02 -2.01 -1.37 113.55 113.43 2elj h SER 62 Ca -0.05 0.10 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 2elj h SER 62 Cb 0.72 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.31 2elj h SER 62 CO -0.08 0.11 0.19 0.00 -1.14 0.00 0.00 176.83 175.92 2elj h ALA 63 N 1.50 0.49 -0.40 3.77 0.00 -1.86 -3.03 119.26 119.72 2elj h ALA 63 Ca 0.37 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.35 2elj h ALA 63 Cb 0.53 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 2elj h ALA 63 CO -0.37 -0.17 -0.45 0.00 0.00 0.00 0.00 179.25 178.26 2elj h ARG 65 N -0.27 0.04 0.16 0.00 3.08 -1.43 0.23 114.38 116.20 2elj h ARG 65 Ca 0.07 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 2elj h ARG 65 Cb 0.45 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2elj h ARG 65 CO -0.52 0.03 -0.08 1.49 -1.07 0.00 0.00 179.97 179.82 2elj h GLU 66 N 0.04 -0.21 0.20 0.04 4.81 -0.92 -3.24 114.58 115.31 2elj h GLU 66 Ca 0.57 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.82 2elj h GLU 66 Cb 1.17 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 2elj h GLU 66 CO -0.86 -0.02 -0.52 1.25 -0.73 0.00 0.00 179.01 178.13 2elj h LEU 67 N -0.35 -1.53 -9.53 1.64 5.85 0.12 -3.40 115.31 108.11 2elj h LEU 67 Ca -0.02 0.15 -0.53 0.00 0.84 0.00 0.00 57.88 58.32 2elj h LEU 67 Cb 0.28 0.55 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 2elj h LEU 67 CO 0.04 -0.57 0.46 -0.76 -0.34 0.00 0.00 178.44 177.27 2elj s LEU 68 N -10.06 4.42 -0.57 2.25 1.43 -0.15 -4.94 118.68 111.07 2elj s LEU 68 Ca -0.16 1.92 -0.05 0.00 -1.03 0.00 0.00 54.13 54.81 2elj s LEU 68 Cb 0.05 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.71 2elj s LEU 68 CO 0.59 -0.29 2.83 0.59 0.23 0.00 0.00 176.35 180.30 2elj n ASN 69 N 3.31 6.63 -4.41 2.29 3.02 -1.26 -4.74 115.26 120.09 2elj n ASN 69 Ca 0.05 -3.08 -0.27 0.00 -0.03 0.00 0.00 54.58 51.26 2elj n ASN 69 Cb 0.48 -1.29 -0.09 0.00 -0.61 0.00 0.00 39.78 38.27 2elj n ASN 69 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2elj s ILE 70 N -1.52 1.03 0.60 2.41 -4.36 -1.26 -5.12 121.20 112.97 2elj s ILE 70 Ca 0.60 -2.00 -0.18 0.00 -0.26 0.00 0.00 60.65 58.80 2elj s ILE 70 Cb 0.34 -2.48 -0.05 0.00 1.25 0.00 0.00 42.46 41.52 2elj s ILE 70 CO -0.17 0.00 0.91 0.47 0.24 0.00 0.00 174.94 176.39 2elj n ASP 71 N -1.11 0.55 0.16 4.36 8.00 -1.26 -4.84 116.55 122.41 2elj n ASP 71 Ca -0.08 0.80 0.01 0.00 0.71 0.00 0.00 54.79 56.22 2elj n ASP 71 Cb 0.66 -1.36 0.27 0.00 -0.02 0.00 0.00 41.12 40.67 2elj n ASP 71 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2elj h PRO 72 N 0.45 0.00 0.00 -0.24 0.13 -1.97 -2.36 132.00 128.02 2elj h PRO 72 Ca -0.48 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 2elj h PRO 72 Cb 1.37 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 2elj h PRO 72 CO 0.50 0.48 -0.26 0.82 -0.23 0.00 0.00 178.00 179.32 2elj h ILE 73 N 0.00 0.47 0.04 -3.56 2.04 -2.00 -2.89 117.51 111.61 2elj h ILE 73 Ca -0.00 -1.53 -0.09 0.00 1.00 0.00 0.00 64.86 64.24 2elj h ILE 73 Cb 0.86 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 2elj h ILE 73 CO 0.06 0.25 -0.45 0.11 0.00 0.00 0.00 178.15 178.13 2elj h LYS 74 N 0.00 0.09 0.00 2.37 1.79 -1.87 -3.30 116.57 115.65 2elj h LYS 74 Ca -0.00 -0.15 -0.02 0.00 -2.18 0.00 0.00 60.65 58.29 2elj h LYS 74 Cb 1.10 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.80 2elj h LYS 74 CO 0.03 1.07 -0.11 0.00 -1.08 0.00 0.00 179.45 179.37 2elj h ALA 75 N -0.04 1.45 -0.05 3.86 0.00 -1.52 -0.46 119.26 122.49 2elj h ALA 75 Ca -0.10 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2elj h ALA 75 Cb 1.24 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2elj h ALA 75 CO 0.02 0.13 -0.34 -0.91 0.00 0.00 0.00 179.25 178.15 2elj h ASN 76 N 0.00 0.10 0.00 0.00 4.21 -1.60 -2.49 115.58 115.80 2elj h ASN 76 Ca -0.00 -0.03 -0.13 0.00 1.21 0.00 0.00 56.30 57.35 2elj h ASN 76 Cb 0.25 -0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 37.40 2elj h ASN 76 CO 0.01 0.44 -0.99 -1.14 -1.29 0.00 0.00 177.43 174.46 2elj n ARG 77 N -4.11 0.51 -0.34 0.81 3.00 -0.71 -4.28 116.66 111.53 2elj n ARG 77 Ca -0.02 0.51 0.23 0.00 -0.00 0.00 0.00 57.85 58.58 2elj n ARG 77 Cb 0.40 -1.69 0.47 0.00 0.00 0.00 0.00 32.46 31.64 2elj n ARG 77 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 2elj h ILE 78 N -1.00 0.36 -0.34 5.15 2.04 -1.21 0.67 117.51 123.19 2elj h ILE 78 Ca -0.20 -0.13 0.07 0.00 1.00 0.00 0.00 64.86 65.61 2elj h ILE 78 Cb 0.95 -0.05 -0.08 0.00 -0.74 0.00 0.00 36.82 36.90 2elj h ILE 78 CO -0.12 0.07 -0.19 0.22 0.00 0.00 0.00 178.15 178.13 2elj h TYR 79 N 0.38 -0.49 -0.91 1.37 3.20 -1.63 -0.35 116.97 118.54 2elj h TYR 79 Ca 0.71 0.04 0.09 0.00 3.14 0.00 0.00 58.73 62.71 2elj h TYR 79 Cb 1.61 0.27 -0.06 0.00 1.54 0.00 0.00 36.73 40.08 2elj h TYR 79 CO -0.01 -0.27 0.59 0.22 -1.64 0.00 0.00 178.16 177.05 2elj h ASP 80 N -0.15 0.85 -0.26 -2.11 1.82 -1.05 0.24 116.42 115.77 2elj h ASP 80 Ca 0.17 0.02 0.07 0.00 -0.39 0.00 0.00 57.03 56.91 2elj h ASP 80 Cb 0.41 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.25 2elj h ASP 80 CO -0.43 0.51 0.34 0.15 -1.61 0.00 0.00 179.24 178.21 2elj h PHE 81 N 0.95 0.00 0.00 0.28 3.57 -0.88 0.32 116.94 121.17 2elj h PHE 81 Ca 0.41 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.70 2elj h PHE 81 Cb 0.35 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 2elj h PHE 81 CO -0.00 0.00 -1.33 0.74 -2.23 0.00 0.00 178.31 175.49 2elj h PHE 82 N 0.00 0.00 0.05 0.41 -1.00 -0.83 -3.34 116.94 112.23 2elj h PHE 82 Ca 0.12 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.64 2elj h PHE 82 Cb 0.81 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.39 2elj h PHE 82 CO 0.00 0.80 -1.07 1.96 -1.61 0.00 0.00 178.31 178.39 2elj h GLN 83 N 0.00 0.63 -0.69 1.51 4.20 -0.30 -2.28 115.11 118.18 2elj h GLN 83 Ca -0.16 -0.75 0.12 0.00 0.06 0.00 0.00 58.65 57.92 2elj h GLN 83 Cb 1.75 0.23 -0.08 0.00 0.30 0.00 0.00 27.48 29.68 2elj h GLN 83 CO 0.08 1.33 0.27 0.66 -0.67 0.00 0.00 178.83 180.50 2elj h SER 84 N 0.26 0.27 -0.04 1.46 4.64 -1.19 0.45 113.55 119.40 2elj h SER 84 Ca -0.15 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2elj h SER 84 Cb 1.74 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.90 2elj h SER 84 CO 0.21 0.13 0.00 0.00 -0.87 0.00 0.00 176.83 176.30 2elj n GLN 85 N -4.99 1.15 -4.41 4.77 3.00 -1.24 -4.85 117.38 110.81 2elj n GLN 85 Ca 0.12 -0.16 -0.40 0.00 -0.01 0.00 0.00 57.00 56.55 2elj n GLN 85 Cb 0.34 -1.27 -0.06 0.00 0.00 0.00 0.00 30.24 29.26 2elj n GLN 85 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2elj n ASN 86 N -0.19 -2.38 0.05 1.08 2.85 0.16 -4.81 115.26 112.02 2elj n ASN 86 Ca 0.01 -1.15 -0.18 0.00 -0.11 0.00 0.00 54.58 53.16 2elj n ASN 86 Cb 0.16 -2.10 -0.14 0.00 1.24 0.00 0.00 39.78 38.94 2elj n ASN 86 CO 0.00 0.00 0.00 -0.50 -2.11 0.00 0.00 177.26 174.65 2elj h TRP 87 N -1.16 0.47 0.00 1.20 6.55 -1.60 -3.50 115.95 117.91 2elj h TRP 87 Ca -0.60 -0.35 0.00 0.00 0.95 0.00 0.00 58.89 58.90 2elj h TRP 87 Cb 1.39 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 29.67 2elj h TRP 87 CO 0.67 1.44 0.00 -1.33 -1.05 0.00 0.00 178.44 178.18