#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2elj s SER 2 N 0.00 3.96 -1.16 1.61 0.15 -1.26 -5.06 113.70 111.95 2elj s SER 2 Ca 0.00 -1.32 -0.16 0.00 0.70 0.00 0.00 55.95 55.18 2elj s SER 2 Cb 0.00 -1.20 0.14 0.00 -1.71 0.00 0.00 66.02 63.26 2elj s SER 2 CO 0.00 -0.27 1.42 -0.44 1.20 0.00 0.00 173.24 175.15 2elj s SER 3 N 1.37 6.92 0.98 5.45 0.01 -1.26 -4.95 113.70 122.22 2elj s SER 3 Ca -0.03 -2.65 0.00 0.00 1.31 0.00 0.00 55.95 54.58 2elj s SER 3 Cb -0.19 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.61 2elj s SER 3 CO -0.08 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 173.27 2elj n GLY 4 N 4.71 2.54 3.64 3.44 0.00 -1.26 -4.92 105.19 113.34 2elj n GLY 4 Ca 0.36 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 2elj n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2elj s SER 5 N -4.00 0.42 -0.30 1.61 0.15 -1.26 -5.16 113.70 105.16 2elj s SER 5 Ca 0.00 -1.27 -0.02 0.00 0.70 0.00 0.00 55.95 55.36 2elj s SER 5 Cb 0.00 0.73 0.19 0.00 -1.71 0.00 0.00 66.02 65.23 2elj s SER 5 CO 0.00 -1.44 0.63 -0.55 1.20 0.00 0.00 173.24 173.08 2elj s SER 6 N -3.14 -1.33 0.00 5.45 0.15 -1.26 -5.12 113.70 108.45 2elj s SER 6 Ca 0.23 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.75 2elj s SER 6 Cb -0.03 2.13 0.00 0.00 -1.71 0.00 0.00 66.02 66.41 2elj s SER 6 CO 0.15 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.95 2elj n GLY 7 N 5.43 0.29 2.77 9.45 0.00 -1.26 -5.15 105.19 116.72 2elj n GLY 7 Ca -0.02 0.51 -0.16 0.00 0.00 0.00 0.00 46.02 46.35 2elj n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2elj s ASN 8 N 2.00 0.29 -0.18 1.61 4.22 -1.26 -5.14 114.94 116.49 2elj s ASN 8 Ca 0.00 0.03 -0.02 0.00 -2.14 0.00 0.00 52.86 50.72 2elj s ASN 8 Cb 0.00 -0.12 -0.01 0.00 1.28 0.00 0.00 41.25 42.40 2elj s ASN 8 CO 0.00 -0.14 -0.08 -0.32 -2.04 0.00 0.00 177.10 174.52 2elj s MET 9 N 1.20 3.39 -0.04 3.55 1.75 -1.26 -5.11 119.30 122.78 2elj s MET 9 Ca -0.07 -0.64 0.05 0.00 -1.25 0.00 0.00 55.69 53.77 2elj s MET 9 Cb -0.13 -2.84 -0.01 0.00 2.84 0.00 0.00 34.83 34.69 2elj s MET 9 CO -0.03 -0.01 -0.20 0.95 -0.65 0.00 0.00 175.02 175.09 2elj s THR 10 N 0.95 1.64 0.28 10.11 -4.23 -1.26 -5.03 115.64 118.11 2elj s THR 10 Ca -0.01 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 2elj s THR 10 Cb -0.15 -1.39 0.31 0.00 1.34 0.00 0.00 72.50 72.61 2elj s THR 10 CO -0.00 0.46 1.64 0.40 -0.54 0.00 0.00 174.62 176.59 2elj h ILE 11 N 5.12 0.31 -0.94 2.99 2.04 -1.97 0.13 117.51 125.19 2elj h ILE 11 Ca -0.33 -0.06 0.27 0.00 1.00 0.00 0.00 64.86 65.74 2elj h ILE 11 Cb 1.17 0.11 -0.17 0.00 -0.74 0.00 0.00 36.82 37.19 2elj h ILE 11 CO 0.48 0.03 0.15 0.28 0.00 0.00 0.00 178.15 179.09 2elj h SER 12 N 0.18 -0.23 -0.22 1.72 0.02 -2.00 0.26 113.55 113.28 2elj h SER 12 Ca 0.53 0.25 0.04 0.00 -0.84 0.00 0.00 61.79 61.77 2elj h SER 12 Cb 1.05 0.39 -0.07 0.00 0.14 0.00 0.00 62.40 63.90 2elj h SER 12 CO -0.67 -0.30 -0.52 -0.78 -1.14 0.00 0.00 176.83 173.43 2elj h ASP 13 N 0.07 -1.68 -0.96 3.07 3.58 -1.09 0.14 116.42 119.55 2elj h ASP 13 Ca 0.60 0.21 0.30 0.00 0.42 0.00 0.00 57.03 58.56 2elj h ASP 13 Cb 1.29 0.67 -0.17 0.00 1.72 0.00 0.00 39.33 42.84 2elj h ASP 13 CO -0.81 -0.45 0.26 0.40 -2.88 0.00 0.00 179.24 175.76 2elj h ILE 14 N -0.51 0.14 -0.14 2.25 2.04 -1.05 0.92 117.51 121.16 2elj h ILE 14 Ca 0.06 -0.03 -0.17 0.00 1.00 0.00 0.00 64.86 65.71 2elj h ILE 14 Cb 0.65 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2elj h ILE 14 CO -0.48 0.02 -0.61 1.56 0.00 0.00 0.00 178.15 178.63 2elj h GLN 15 N 0.10 0.49 -1.21 2.37 4.20 -1.01 -3.07 115.11 116.99 2elj h GLN 15 Ca 0.65 -0.34 -0.26 0.00 0.06 0.00 0.00 58.65 58.76 2elj h GLN 15 Cb 1.47 0.05 -0.14 0.00 0.30 0.00 0.00 27.48 29.16 2elj h GLN 15 CO -0.77 0.95 0.33 0.72 -0.67 0.00 0.00 178.83 179.40 2elj n HIS 16 N -3.92 1.41 -3.65 2.96 8.25 0.31 -4.86 115.22 115.73 2elj n HIS 16 Ca -0.04 -1.41 -0.33 0.00 -0.26 0.00 0.00 57.72 55.68 2elj n HIS 16 Cb 0.64 -0.70 -0.05 0.00 1.12 0.00 0.00 29.99 31.00 2elj n HIS 16 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2elj s ALA 17 N -1.57 3.78 -0.51 -1.41 0.00 -0.72 -4.95 121.76 116.38 2elj s ALA 17 Ca 0.27 -0.51 0.23 0.00 0.00 0.00 0.00 51.96 51.95 2elj s ALA 17 Cb 0.22 -2.17 0.96 0.00 0.00 0.00 0.00 23.12 22.13 2elj s ALA 17 CO 0.03 0.64 1.69 -0.35 0.00 0.00 0.00 175.76 177.77 2elj n PRO 18 N 0.42 0.18 -1.88 0.00 -0.04 -1.26 -2.87 135.00 129.54 2elj n PRO 18 Ca -0.05 0.42 -0.05 0.00 -0.04 0.00 0.00 63.50 63.77 2elj n PRO 18 Cb 0.52 -1.85 0.07 0.00 -0.04 0.00 0.00 33.50 32.20 2elj n PRO 18 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2elj n ASP 19 N -2.19 2.52 -0.07 3.54 8.00 -1.26 -4.77 116.55 122.33 2elj n ASP 19 Ca 0.02 -2.93 -0.10 0.00 0.71 0.00 0.00 54.79 52.49 2elj n ASP 19 Cb 0.22 -0.41 -0.15 0.00 -0.02 0.00 0.00 41.12 40.76 2elj n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2elj n TYR 20 N -0.53 0.36 0.25 1.24 9.36 -1.14 -4.47 117.16 122.24 2elj n TYR 20 Ca 0.21 0.12 -0.16 0.00 3.32 0.00 0.00 57.90 61.39 2elj n TYR 20 Cb 0.90 -1.06 -0.08 0.00 -0.63 0.00 0.00 39.34 38.46 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 0.92 -0.79 -0.71 2.98 0.00 -1.86 -2.46 119.26 117.34 2elj h ALA 21 Ca -0.46 -0.13 0.26 0.00 0.00 0.00 0.00 54.91 54.58 2elj h ALA 21 Cb 2.15 0.49 -0.13 0.00 0.00 0.00 0.00 17.79 20.30 2elj h ALA 21 CO 0.04 -0.98 0.26 1.47 0.00 0.00 0.00 179.25 180.05 2elj n LEU 22 N -5.47 0.14 -4.68 0.00 -0.00 -1.26 -4.28 117.00 101.45 2elj n LEU 22 Ca -0.10 1.18 -0.48 0.00 -0.00 0.00 0.00 56.01 56.61 2elj n LEU 22 Cb 0.37 -0.53 -0.05 0.00 -0.00 0.00 0.00 43.42 43.21 2elj n LEU 22 CO 0.30 -1.28 1.42 0.18 -0.00 0.00 0.00 177.39 178.00 2elj n LEU 23 N -4.72 3.37 -4.61 1.47 4.77 -0.93 -4.96 117.00 111.40 2elj n LEU 23 Ca 0.23 1.00 -0.30 0.00 -0.03 0.00 0.00 56.01 56.92 2elj n LEU 23 Cb 0.79 -1.39 0.22 0.00 -2.33 0.00 0.00 43.42 40.72 2elj n LEU 23 CO -0.01 -0.11 0.63 -0.44 -1.33 0.00 0.00 177.39 176.13 2elj s SER 24 N 3.27 1.33 0.29 -1.43 0.01 -1.26 -4.51 113.70 111.40 2elj s SER 24 Ca 0.89 0.77 0.03 0.00 1.31 0.00 0.00 55.95 58.95 2elj s SER 24 Cb -0.68 -1.12 0.71 0.00 0.21 0.00 0.00 66.02 65.14 2elj s SER 24 CO 0.48 -3.88 1.69 -1.13 0.41 0.00 0.00 173.24 170.81 2elj h ASN 25 N -2.41 0.28 0.21 2.44 -0.73 -1.93 0.33 115.58 113.76 2elj h ASN 25 Ca -0.48 0.16 -0.01 0.00 1.87 0.00 0.00 56.30 57.84 2elj h ASN 25 Cb 1.30 0.15 0.00 0.00 0.27 0.00 0.00 38.32 40.05 2elj h ASN 25 CO 0.40 -0.02 -0.10 -2.24 -0.37 0.00 0.00 177.43 175.10 2elj h ASP 26 N 0.37 -0.24 -0.96 1.15 2.03 -2.01 -3.20 116.42 113.56 2elj h ASP 26 Ca 0.55 0.01 0.34 0.00 -0.73 0.00 0.00 57.03 57.19 2elj h ASP 26 Cb 1.05 0.06 -0.18 0.00 -0.83 0.00 0.00 39.33 39.44 2elj h ASP 26 CO -0.54 -0.01 0.28 -0.62 -1.03 0.00 0.00 179.24 177.32 2elj n GLU 27 N -3.69 -0.07 -0.04 4.15 1.02 -1.04 0.74 120.64 121.70 2elj n GLU 27 Ca -0.04 1.38 -0.08 0.00 -0.02 0.00 0.00 57.16 58.40 2elj n GLU 27 Cb 0.11 -2.33 -0.02 0.00 -0.02 0.00 0.00 31.44 29.18 2elj n GLU 27 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2elj h GLN 28 N 0.00 -0.07 -0.17 3.49 4.20 -1.01 -2.77 115.11 118.78 2elj h GLN 28 Ca 0.70 0.00 0.02 0.00 0.06 0.00 0.00 58.65 59.44 2elj h GLN 28 Cb 1.69 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 29.44 2elj h GLN 28 CO -0.82 -0.05 -0.34 1.96 -0.67 0.00 0.00 178.83 178.92 2elj h GLN 29 N -0.07 -0.29 -0.45 1.46 1.08 0.32 -2.26 115.11 114.91 2elj h GLN 29 Ca 0.12 0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.38 2elj h GLN 29 Cb 0.24 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.68 2elj h GLN 29 CO -0.26 -0.19 -0.30 1.25 -0.95 0.00 0.00 178.83 178.38 2elj h LEU 30 N -0.30 -1.09 -0.87 1.46 5.85 -1.43 0.15 115.31 119.09 2elj h LEU 30 Ca 0.03 0.16 0.10 0.00 0.84 0.00 0.00 57.88 59.01 2elj h LEU 30 Cb 0.39 0.47 -0.12 0.00 0.37 0.00 0.00 40.66 41.77 2elj h LEU 30 CO -0.32 -0.14 -0.45 0.00 -0.34 0.00 0.00 178.44 177.19 2elj h ILE 32 N 0.00 1.03 0.90 0.00 2.04 -0.56 1.04 117.51 121.95 2elj h ILE 32 Ca 0.20 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 2elj h ILE 32 Cb 0.42 0.20 0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2elj h ILE 32 CO -0.84 0.14 -0.47 1.56 0.00 0.00 0.00 178.15 178.54 2elj h GLN 33 N 0.75 -1.21 -0.02 2.37 4.20 0.31 -2.34 115.11 119.18 2elj h GLN 33 Ca 0.29 0.08 0.00 0.00 0.06 0.00 0.00 58.65 59.08 2elj h GLN 33 Cb 0.11 0.27 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2elj h GLN 33 CO -0.15 -0.80 0.00 1.28 -0.67 0.00 0.00 178.83 178.49 2elj n LEU 34 N -5.64 0.11 -3.78 1.46 4.77 1.00 -4.87 117.00 110.05 2elj n LEU 34 Ca -0.16 -0.05 -0.29 0.00 -0.03 0.00 0.00 56.01 55.48 2elj n LEU 34 Cb 0.50 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 2elj n LEU 34 CO 0.39 0.03 -0.04 2.29 -1.33 0.00 0.00 177.39 178.73 2elj n LYS 35 N -0.58 -3.07 -3.73 3.23 2.85 0.33 -4.92 118.16 112.26 2elj n LYS 35 Ca 0.08 0.37 -0.32 0.00 -1.05 0.00 0.00 58.31 57.39 2elj n LYS 35 Cb 0.05 -5.07 -0.05 0.00 -0.65 0.00 0.00 35.03 29.31 2elj n LYS 35 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2elj s ILE 36 N -3.05 5.22 0.37 0.58 1.01 0.51 -4.98 121.20 120.87 2elj s ILE 36 Ca 0.56 -0.04 -0.08 0.00 0.00 0.00 0.00 60.65 61.10 2elj s ILE 36 Cb -0.31 -3.62 -0.06 0.00 0.01 0.00 0.00 42.46 38.48 2elj s ILE 36 CO 0.69 0.09 0.69 -0.76 0.00 0.00 0.00 174.94 175.65 2elj s LEU 37 N -2.54 3.90 0.09 2.97 1.43 -1.26 -4.59 118.68 118.68 2elj s LEU 37 Ca 0.39 0.96 -0.15 0.00 -1.03 0.00 0.00 54.13 54.29 2elj s LEU 37 Cb -0.12 -3.82 -0.09 0.00 0.03 0.00 0.00 46.19 42.18 2elj s LEU 37 CO 0.25 -0.34 1.41 1.55 0.23 0.00 0.00 176.35 179.45 2elj h PRO 38 N 1.32 0.66 -0.35 1.29 0.13 -1.87 -1.44 132.00 131.74 2elj h PRO 38 Ca -0.47 -0.34 0.05 0.00 -0.87 0.00 0.00 66.00 64.36 2elj h PRO 38 Cb 1.19 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 2elj h PRO 38 CO 0.64 0.95 -0.55 -0.22 -0.23 0.00 0.00 178.00 178.59 2elj h LYS 39 N 0.39 -0.42 -0.12 0.86 1.63 -1.95 0.71 116.57 117.66 2elj h LYS 39 Ca 0.04 0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.82 2elj h LYS 39 Cb 0.83 0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.55 2elj h LYS 39 CO 0.07 -0.28 -0.12 -1.00 -3.45 0.00 0.00 179.45 174.67 2elj h PRO 40 N -0.44 0.30 -0.98 1.90 0.13 -1.99 -3.10 132.00 127.82 2elj h PRO 40 Ca 0.07 -0.16 0.26 0.00 -0.87 0.00 0.00 66.00 65.30 2elj h PRO 40 Cb 0.62 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.69 2elj h PRO 40 CO -0.56 0.70 0.68 -0.92 -0.23 0.00 0.00 178.00 177.66 2elj h TYR 41 N -0.09 0.26 -0.15 1.56 5.03 -0.96 0.99 116.97 123.61 2elj h TYR 41 Ca 0.02 0.01 -0.12 0.00 2.58 0.00 0.00 58.73 61.22 2elj h TYR 41 Cb 0.64 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 38.85 2elj h TYR 41 CO 0.09 0.04 -0.36 -0.07 -1.32 0.00 0.00 178.16 176.54 2elj h LEU 42 N 0.17 0.58 -0.06 2.82 3.38 -0.79 0.14 115.31 121.55 2elj h LEU 42 Ca 0.50 -0.57 0.03 0.00 0.09 0.00 0.00 57.88 57.93 2elj h LEU 42 Cb 1.66 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 42.19 2elj h LEU 42 CO -0.10 1.05 -0.18 0.58 0.09 0.00 0.00 178.44 179.87 2elj h VAL 43 N 0.14 0.54 -0.32 1.22 2.07 -0.76 0.14 116.25 119.28 2elj h VAL 43 Ca -0.00 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.35 2elj h VAL 43 Cb 0.97 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2elj h VAL 43 CO 0.08 0.00 -0.48 0.17 0.02 0.00 0.00 177.57 177.36 2elj h LEU 44 N -0.27 0.95 -0.32 2.57 8.10 -1.50 -2.88 115.31 121.95 2elj h LEU 44 Ca 0.08 -0.48 0.04 0.00 0.11 0.00 0.00 57.88 57.63 2elj h LEU 44 Cb 0.37 -0.27 -0.04 0.00 -0.44 0.00 0.00 40.66 40.29 2elj h LEU 44 CO -0.22 1.27 0.10 0.50 -4.11 0.00 0.00 178.44 175.98 2elj h LYS 45 N 0.68 0.22 -0.57 0.17 3.64 -0.59 -2.33 116.57 117.80 2elj h LYS 45 Ca 0.03 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2elj h LYS 45 Cb 1.07 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 2elj h LYS 45 CO 0.11 0.15 0.37 1.49 -2.27 0.00 0.00 179.45 179.30 2elj h GLU 46 N 0.23 0.76 -0.04 1.90 4.81 -0.73 -2.99 114.58 118.51 2elj h GLU 46 Ca 0.15 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 2elj h GLU 46 Cb 0.13 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.29 2elj h GLU 46 CO -0.16 0.51 -0.37 0.28 -0.73 0.00 0.00 179.01 178.54 2elj h VAL 47 N 0.77 0.22 -0.77 0.32 2.07 -1.21 -0.72 116.25 116.94 2elj h VAL 47 Ca 0.21 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.85 2elj h VAL 47 Cb -0.08 0.22 -0.13 0.00 -1.52 0.00 0.00 31.29 29.78 2elj h VAL 47 CO -0.04 0.00 -0.38 0.24 0.02 0.00 0.00 177.57 177.40 2elj h MET 48 N -0.50 -0.10 -1.01 1.57 2.86 -1.29 0.46 114.93 116.92 2elj h MET 48 Ca 0.06 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.74 2elj h MET 48 Cb 0.60 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.23 2elj h MET 48 CO -0.31 -0.06 0.66 0.74 1.06 0.00 0.00 176.91 178.99 2elj h PHE 49 N -0.10 1.25 -0.46 -0.22 0.04 -1.38 0.22 116.94 116.30 2elj h PHE 49 Ca 0.27 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 61.01 2elj h PHE 49 Cb 0.57 -0.42 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 2elj h PHE 49 CO -0.76 0.74 0.04 -0.09 -0.60 0.00 0.00 178.31 177.63 2elj h ARG 50 N 1.31 0.72 0.06 1.51 2.43 0.12 -2.37 114.38 118.16 2elj h ARG 50 Ca 0.39 -0.17 -0.24 0.00 -0.81 0.00 0.00 59.98 59.15 2elj h ARG 50 Cb -0.05 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 2elj h ARG 50 CO -0.11 0.71 -1.07 1.49 -1.51 0.00 0.00 179.97 179.49 2elj h GLU 51 N 0.69 0.24 -0.32 0.20 4.57 0.44 -2.26 114.58 118.13 2elj h GLU 51 Ca 0.14 -0.34 -0.00 0.00 -1.18 0.00 0.00 59.36 57.98 2elj h GLU 51 Cb 0.37 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 2elj h GLU 51 CO 0.01 1.10 0.19 -0.07 -1.18 0.00 0.00 179.01 179.07 2elj h LEU 52 N 0.10 0.39 -0.19 1.64 3.38 -0.31 -0.24 115.31 120.09 2elj h LEU 52 Ca -0.09 -0.06 -0.22 0.00 0.09 0.00 0.00 57.88 57.60 2elj h LEU 52 Cb 1.76 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 42.42 2elj h LEU 52 CO 0.17 0.33 -0.82 0.17 0.09 0.00 0.00 178.44 178.38 2elj h LEU 53 N 0.42 0.82 0.33 1.67 8.10 -1.52 0.39 115.31 125.53 2elj h LEU 53 Ca 0.12 -0.56 -0.01 0.00 0.11 0.00 0.00 57.88 57.53 2elj h LEU 53 Cb 0.02 -0.25 -0.01 0.00 -0.44 0.00 0.00 40.66 39.99 2elj h LEU 53 CO -0.02 1.35 -0.21 0.50 -4.11 0.00 0.00 178.44 175.96 2elj h LYS 54 N 0.45 -0.50 0.00 0.17 3.64 -1.23 -2.98 116.57 116.12 2elj h LYS 54 Ca -0.06 0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.19 2elj h LYS 54 Cb 1.44 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.35 2elj h LYS 54 CO 0.16 -0.33 -0.76 1.79 -2.27 0.00 0.00 179.45 178.04 2elj h THR 55 N -0.52 1.33 0.00 1.00 1.35 -1.12 -3.48 112.91 111.47 2elj h THR 55 Ca -0.03 -2.80 0.00 0.00 -0.55 0.00 0.00 66.41 63.03 2elj h THR 55 Cb 0.43 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 2elj h THR 55 CO 0.03 0.74 0.00 0.61 -0.25 0.00 0.00 175.52 176.65 2elj n GLY 56 N 1.19 1.78 0.00 5.82 0.00 0.12 -4.72 105.19 109.39 2elj n GLY 56 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 -0.04 2.39 -0.02 0.00 -0.41 -4.72 105.19 102.39 2elj n GLY 57 Ca 0.00 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 3.84 -4.85 1.61 2.85 -1.26 -5.08 115.26 112.37 2elj n ASN 58 Ca 0.00 -3.32 -0.32 0.00 -0.11 0.00 0.00 54.58 50.83 2elj n ASN 58 Cb 0.00 -0.43 -0.06 0.00 1.24 0.00 0.00 39.78 40.54 2elj n ASN 58 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 2elj s LEU 59 N -3.55 3.99 -0.13 1.20 2.96 -1.26 -5.04 118.68 116.85 2elj s LEU 59 Ca 0.43 1.33 -0.18 0.00 -0.22 0.00 0.00 54.13 55.49 2elj s LEU 59 Cb 0.40 -4.16 0.04 0.00 0.50 0.00 0.00 46.19 42.97 2elj s LEU 59 CO -0.05 -0.27 0.46 -0.55 -1.32 0.00 0.00 176.35 174.63 2elj s SER 60 N -2.41 -0.45 0.27 3.68 0.15 -1.26 -5.00 113.70 108.67 2elj s SER 60 Ca 0.55 0.76 0.16 0.00 0.70 0.00 0.00 55.95 58.12 2elj s SER 60 Cb -0.10 0.79 0.99 0.00 -1.71 0.00 0.00 66.02 65.99 2elj s SER 60 CO 0.19 -0.27 1.15 0.29 1.20 0.00 0.00 173.24 175.80 2elj n LYS 61 N 2.30 -0.04 0.37 5.44 4.76 -1.26 0.31 118.16 130.04 2elj n LYS 61 Ca -0.16 1.00 -0.16 0.00 -2.87 0.00 0.00 58.31 56.12 2elj n LYS 61 Cb 0.57 -1.80 -0.08 0.00 -1.84 0.00 0.00 35.03 31.87 2elj n LYS 61 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 2elj h SER 62 N 0.00 -0.97 0.13 4.39 0.02 -2.01 -2.57 113.55 112.54 2elj h SER 62 Ca 0.62 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.61 2elj h SER 62 Cb 1.67 0.27 0.00 0.00 0.14 0.00 0.00 62.40 64.48 2elj h SER 62 CO -0.54 -0.62 -0.06 0.00 -1.14 0.00 0.00 176.83 174.46 2elj h ALA 63 N -1.38 -0.18 -0.86 3.77 0.00 -0.55 -3.13 119.26 116.93 2elj h ALA 63 Ca -0.09 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 54.85 2elj h ALA 63 Cb 0.79 0.07 -0.16 0.00 0.00 0.00 0.00 17.79 18.49 2elj h ALA 63 CO 0.12 -0.48 -0.21 0.00 0.00 0.00 0.00 179.25 178.68 2elj h ARG 65 N 0.00 0.49 0.37 0.00 3.08 -1.40 -0.14 114.38 116.77 2elj h ARG 65 Ca 0.42 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.42 2elj h ARG 65 Cb 0.64 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2elj h ARG 65 CO -0.88 0.32 -0.18 0.93 -1.07 0.00 0.00 179.97 179.10 2elj h GLU 66 N 0.50 -0.48 0.10 0.04 4.39 0.15 0.72 114.58 120.01 2elj h GLU 66 Ca 0.33 0.03 0.02 0.00 0.34 0.00 0.00 59.36 60.08 2elj h GLU 66 Cb 0.37 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.08 2elj h GLU 66 CO -0.28 -0.25 -0.40 1.25 -1.16 0.00 0.00 179.01 178.16 2elj h LEU 67 N -0.60 -1.17 -1.34 1.33 5.85 -0.83 -1.74 115.31 116.81 2elj h LEU 67 Ca -0.05 0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 2elj h LEU 67 Cb 0.44 0.44 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 2elj h LEU 67 CO 0.08 -0.47 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.47 2elj h LEU 68 N -0.62 0.21 -0.99 2.25 3.38 -1.04 -3.46 115.31 115.04 2elj h LEU 68 Ca 0.03 -0.05 -0.47 0.00 0.09 0.00 0.00 57.88 57.48 2elj h LEU 68 Cb 0.66 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2elj h LEU 68 CO -0.24 0.41 -0.76 0.59 0.09 0.00 0.00 178.44 178.53 2elj n ASN 69 N -4.24 -4.82 -4.63 -0.43 5.03 0.25 -4.97 115.26 101.45 2elj n ASN 69 Ca -0.01 -0.77 -0.30 0.00 0.87 0.00 0.00 54.58 54.37 2elj n ASN 69 Cb 0.30 -3.93 -0.09 0.00 -1.02 0.00 0.00 39.78 35.04 2elj n ASN 69 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 2elj s ILE 70 N -3.31 1.37 0.41 2.41 -4.36 -1.24 -5.06 121.20 111.42 2elj s ILE 70 Ca 0.65 -2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 58.83 2elj s ILE 70 Cb -0.32 -2.48 -0.15 0.00 1.25 0.00 0.00 42.46 40.76 2elj s ILE 70 CO 0.83 0.00 0.23 0.47 0.24 0.00 0.00 174.94 176.71 2elj n ASP 71 N -1.14 -2.25 0.16 4.36 9.92 -1.26 -4.78 116.55 121.56 2elj n ASP 71 Ca -0.12 0.84 0.00 0.00 -0.53 0.00 0.00 54.79 54.98 2elj n ASP 71 Cb 0.67 -0.96 0.26 0.00 -0.64 0.00 0.00 41.12 40.45 2elj n ASP 71 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2elj h PRO 72 N 0.45 0.02 0.09 -0.24 0.13 -1.99 -2.71 132.00 127.76 2elj h PRO 72 Ca -0.38 -0.01 -0.26 0.00 -0.87 0.00 0.00 66.00 64.48 2elj h PRO 72 Cb 1.43 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.57 2elj h PRO 72 CO 0.48 0.50 -1.15 0.82 -0.23 0.00 0.00 178.00 178.42 2elj h ILE 73 N 0.02 1.42 0.58 -3.56 1.08 -1.98 -2.61 117.51 112.46 2elj h ILE 73 Ca -0.00 -2.75 -0.03 0.00 -0.39 0.00 0.00 64.86 61.69 2elj h ILE 73 Cb 0.87 2.73 0.01 0.00 -3.07 0.00 0.00 36.82 37.36 2elj h ILE 73 CO 0.06 0.81 -0.28 0.11 -0.69 0.00 0.00 178.15 178.17 2elj h LYS 74 N 0.16 -0.75 -0.97 2.37 1.57 -1.89 -2.77 116.57 114.28 2elj h LYS 74 Ca -0.13 0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2elj h LYS 74 Cb 1.84 0.17 -0.05 0.00 0.08 0.00 0.00 32.23 34.26 2elj h LYS 74 CO 0.20 -0.44 0.64 0.00 -0.57 0.00 0.00 179.45 179.28 2elj h ALA 75 N -0.76 1.34 -0.10 3.86 0.00 -1.62 0.85 119.26 122.83 2elj h ALA 75 Ca -0.08 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.81 2elj h ALA 75 Cb 0.66 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2elj h ALA 75 CO 0.13 0.58 0.12 -0.91 0.00 0.00 0.00 179.25 179.17 2elj h ASN 76 N 1.27 0.00 0.00 0.00 4.21 -1.43 -0.50 115.58 119.13 2elj h ASN 76 Ca 0.37 0.00 -0.26 0.00 1.21 0.00 0.00 56.30 57.62 2elj h ASN 76 Cb -0.06 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.10 2elj h ASN 76 CO -0.10 0.00 -1.56 -1.14 -1.29 0.00 0.00 177.43 173.34 2elj n ARG 77 N -3.82 0.56 -0.21 0.81 3.00 -0.38 -4.25 116.66 112.37 2elj n ARG 77 Ca -0.00 0.45 0.02 0.00 -0.00 0.00 0.00 57.85 58.31 2elj n ARG 77 Cb 0.22 -1.64 0.12 0.00 0.00 0.00 0.00 32.46 31.16 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 0.62 -0.44 5.15 2.04 -0.71 -2.26 117.51 120.92 2elj h ILE 78 Ca -0.40 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 65.43 2elj h ILE 78 Cb 1.29 0.33 -0.09 0.00 -0.74 0.00 0.00 36.82 37.61 2elj h ILE 78 CO -0.24 0.05 -0.48 0.22 0.00 0.00 0.00 178.15 177.70 2elj h TYR 79 N 0.27 -1.43 -0.42 1.37 5.03 -1.30 -1.29 116.97 119.20 2elj h TYR 79 Ca 0.33 0.08 0.08 0.00 2.58 0.00 0.00 58.73 61.81 2elj h TYR 79 Cb 0.51 0.69 -0.09 0.00 1.55 0.00 0.00 36.73 39.38 2elj h TYR 79 CO -0.25 -0.46 -0.28 0.22 -1.32 0.00 0.00 178.16 176.07 2elj h ASP 80 N -0.34 -0.94 -0.27 -2.11 1.82 -1.59 -2.65 116.42 110.34 2elj h ASP 80 Ca 0.12 0.18 0.03 0.00 -0.39 0.00 0.00 57.03 56.97 2elj h ASP 80 Cb 0.59 0.46 -0.04 0.00 0.68 0.00 0.00 39.33 41.02 2elj h ASP 80 CO -0.61 -0.29 -0.19 0.15 -1.61 0.00 0.00 179.24 176.69 2elj h PHE 81 N -0.20 -0.61 -0.88 0.28 3.57 -1.03 0.41 116.94 118.47 2elj h PHE 81 Ca 0.19 0.04 0.16 0.00 3.53 0.00 0.00 57.97 61.89 2elj h PHE 81 Cb 0.51 0.30 -0.16 0.00 2.79 0.00 0.00 35.95 39.39 2elj h PHE 81 CO -0.51 -0.13 -0.27 1.19 -2.23 0.00 0.00 178.31 176.36 2elj n PHE 82 N -3.70 0.21 -0.28 0.41 3.01 -1.01 0.16 117.46 116.26 2elj n PHE 82 Ca 0.00 1.08 0.01 0.00 1.01 0.00 0.00 57.45 59.55 2elj n PHE 82 Cb 0.09 -0.94 0.14 0.00 -0.01 0.00 0.00 39.48 38.76 2elj n PHE 82 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 2elj h GLN 83 N 0.00 0.79 -0.87 -1.08 1.08 -0.82 -2.06 115.11 112.16 2elj h GLN 83 Ca 0.38 -0.05 0.23 0.00 -1.45 0.00 0.00 58.65 57.76 2elj h GLN 83 Cb 0.60 -0.18 -0.14 0.00 -0.05 0.00 0.00 27.48 27.71 2elj h GLN 83 CO -0.90 0.52 0.17 1.03 -0.95 0.00 0.00 178.83 178.71 2elj h SER 84 N 0.82 -0.12 -0.23 1.46 0.87 0.28 1.08 113.55 117.70 2elj h SER 84 Ca 0.36 0.21 -0.12 0.00 -1.23 0.00 0.00 61.79 61.01 2elj h SER 84 Cb 0.25 0.31 -0.07 0.00 -0.44 0.00 0.00 62.40 62.44 2elj h SER 84 CO -0.20 -0.19 0.15 0.00 -0.53 0.00 0.00 176.83 176.06 2elj n GLN 85 N -5.28 1.32 -3.16 2.24 1.13 -0.78 -4.83 117.38 108.02 2elj n GLN 85 Ca 0.20 -0.72 -0.21 0.00 -1.94 0.00 0.00 57.00 54.34 2elj n GLN 85 Cb 0.66 -1.30 -0.04 0.00 0.11 0.00 0.00 30.24 29.67 2elj n GLN 85 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2elj n ASN 86 N 0.11 -1.17 0.10 1.08 3.02 0.37 -4.73 115.26 114.05 2elj n ASN 86 Ca 0.14 -0.45 -0.17 0.00 -0.03 0.00 0.00 54.58 54.07 2elj n ASN 86 Cb 0.77 -1.06 -0.13 0.00 -0.61 0.00 0.00 39.78 38.76 2elj n ASN 86 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 2elj h TRP 87 N -0.42 0.56 -0.02 3.10 6.55 -1.67 -3.50 115.95 120.56 2elj h TRP 87 Ca -0.29 -0.40 0.00 0.00 0.95 0.00 0.00 58.89 59.16 2elj h TRP 87 Cb 0.95 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 29.23 2elj h TRP 87 CO 0.60 1.29 0.00 -1.33 -1.05 0.00 0.00 178.44 177.95