#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 -0.60 1.14 1.61 0.15 -1.26 -5.17 113.70 109.57 2elj s SER 2 Ca 0.00 0.54 -0.12 0.00 0.70 0.00 0.00 55.95 57.06 2elj s SER 2 Cb 0.00 1.57 0.27 0.00 -1.71 0.00 0.00 66.02 66.15 2elj s SER 2 CO 0.00 -0.11 1.04 -0.94 1.20 0.00 0.00 173.24 174.43 2elj s SER 3 N 2.73 1.19 -0.30 5.45 1.04 -1.26 -5.06 113.70 117.49 2elj s SER 3 Ca 0.01 1.59 -0.06 0.00 0.48 0.00 0.00 55.95 57.97 2elj s SER 3 Cb -0.09 -2.33 0.16 0.00 0.10 0.00 0.00 66.02 63.86 2elj s SER 3 CO -0.15 -4.08 0.67 -0.83 0.98 0.00 0.00 173.24 169.83 2elj s GLY 4 N -2.55 -0.81 -0.11 7.32 0.00 -1.26 -5.15 107.32 104.77 2elj s GLY 4 Ca 0.68 2.18 -0.01 0.00 0.00 0.00 0.00 44.72 47.57 2elj s GLY 4 CO 0.64 3.26 -0.06 -0.56 0.00 0.00 0.00 173.10 176.38 2elj s SER 5 N 2.86 4.69 0.15 1.64 0.01 -1.26 -5.10 113.70 116.69 2elj s SER 5 Ca 0.07 -0.07 -0.25 0.00 1.31 0.00 0.00 55.95 57.01 2elj s SER 5 Cb -0.13 -1.45 0.07 0.00 0.21 0.00 0.00 66.02 64.73 2elj s SER 5 CO -0.19 0.28 1.02 -0.44 0.41 0.00 0.00 173.24 174.32 2elj s SER 6 N -0.30 -0.10 0.05 2.44 0.01 -1.26 -5.16 113.70 109.38 2elj s SER 6 Ca 0.05 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.83 2elj s SER 6 Cb -0.13 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.56 2elj s SER 6 CO 0.02 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.41 2elj n GLY 7 N -0.55 -3.02 3.66 3.44 0.00 -1.26 -4.84 105.19 102.63 2elj n GLY 7 Ca -0.05 -1.19 -0.58 0.00 0.00 0.00 0.00 46.02 44.20 2elj n GLY 7 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2elj n ASN 8 N -1.30 1.81 -4.62 1.61 3.02 -1.26 -4.90 115.26 109.61 2elj n ASN 8 Ca 0.00 1.11 -0.40 0.00 -0.03 0.00 0.00 54.58 55.26 2elj n ASN 8 Cb 0.02 -1.10 -0.07 0.00 -0.61 0.00 0.00 39.78 38.02 2elj n ASN 8 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2elj s MET 9 N 2.30 4.08 0.34 3.52 1.75 -1.26 -5.01 119.30 125.03 2elj s MET 9 Ca 0.95 0.36 0.05 0.00 -1.25 0.00 0.00 55.69 55.80 2elj s MET 9 Cb -1.12 -3.65 -0.03 0.00 2.84 0.00 0.00 34.83 32.88 2elj s MET 9 CO 0.62 -0.36 0.20 0.95 -0.65 0.00 0.00 175.02 175.79 2elj s THR 10 N 2.32 0.24 0.07 10.11 -4.23 -1.26 -5.02 115.64 117.87 2elj s THR 10 Ca 0.22 -2.00 -0.33 0.00 -1.18 0.00 0.00 61.69 58.40 2elj s THR 10 Cb -0.16 -2.45 -0.18 0.00 1.34 0.00 0.00 72.50 71.06 2elj s THR 10 CO 0.09 0.00 1.61 0.40 -0.54 0.00 0.00 174.62 176.18 2elj h ILE 11 N 2.06 0.26 -0.98 2.99 5.03 -1.94 -2.68 117.51 122.25 2elj h ILE 11 Ca -0.30 0.00 0.34 0.00 -0.12 0.00 0.00 64.86 64.78 2elj h ILE 11 Cb 1.25 0.26 -0.18 0.00 -3.03 0.00 0.00 36.82 35.12 2elj h ILE 11 CO 0.46 0.00 0.28 -1.20 -0.68 0.00 0.00 178.15 177.01 2elj n SER 12 N -5.51 0.12 0.40 1.72 7.64 -1.26 -0.16 113.62 116.57 2elj n SER 12 Ca -0.13 1.64 -0.19 0.00 1.01 0.00 0.00 58.87 61.21 2elj n SER 12 Cb 0.39 -0.70 -0.09 0.00 -1.01 0.00 0.00 64.21 62.80 2elj n SER 12 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2elj h ASP 13 N 0.00 -0.98 0.37 6.43 5.19 -1.83 0.13 116.42 125.74 2elj h ASP 13 Ca 0.72 0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 57.16 2elj h ASP 13 Cb 1.73 0.27 0.00 0.00 0.18 0.00 0.00 39.33 41.52 2elj h ASP 13 CO -0.84 -0.64 -0.18 0.40 -3.12 0.00 0.00 179.24 174.86 2elj h ILE 14 N -1.04 0.00 -1.47 0.35 2.04 -0.40 -2.67 117.51 114.32 2elj h ILE 14 Ca -0.09 -0.00 0.43 0.00 1.00 0.00 0.00 64.86 66.19 2elj h ILE 14 Cb 0.82 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 2elj h ILE 14 CO 0.13 0.00 1.05 1.56 0.00 0.00 0.00 178.15 180.89 2elj h GLN 15 N -0.50 0.02 -1.48 2.37 4.20 -0.97 0.46 115.11 119.20 2elj h GLN 15 Ca -0.05 -0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.13 2elj h GLN 15 Cb 0.38 -0.00 -0.21 0.00 0.30 0.00 0.00 27.48 27.95 2elj h GLN 15 CO 0.08 0.01 0.65 1.58 -0.67 0.00 0.00 178.83 180.48 2elj n HIS 16 N -4.13 2.29 -4.65 2.96 -0.00 0.03 -4.88 115.22 106.84 2elj n HIS 16 Ca 0.33 -2.37 -0.32 0.00 0.46 0.00 0.00 57.72 55.82 2elj n HIS 16 Cb 1.52 -1.23 -0.12 0.00 -0.12 0.00 0.00 29.99 30.04 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 -2.75 2.76 0.19 1.57 0.00 0.16 -4.91 121.76 118.79 2elj s ALA 17 Ca 0.50 -1.07 0.26 0.00 0.00 0.00 0.00 51.96 51.65 2elj s ALA 17 Cb 0.38 -0.94 1.12 0.00 0.00 0.00 0.00 23.12 23.67 2elj s ALA 17 CO -0.09 0.58 1.91 -1.00 0.00 0.00 0.00 175.76 177.16 2elj h PRO 18 N 4.76 0.00 -0.53 0.00 0.13 -1.91 -2.98 132.00 131.47 2elj h PRO 18 Ca -0.48 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.31 2elj h PRO 18 Cb 1.16 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.07 2elj h PRO 18 CO 0.51 0.17 -0.18 -0.25 -0.23 0.00 0.00 178.00 178.01 2elj n ASP 19 N -3.39 3.80 -0.11 1.44 9.92 -1.26 -4.64 116.55 122.32 2elj n ASP 19 Ca -0.00 -3.79 -0.22 0.00 -0.53 0.00 0.00 54.79 50.25 2elj n ASP 19 Cb 0.37 -0.60 -0.07 0.00 -0.64 0.00 0.00 41.12 40.18 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 -0.98 0.00 -0.34 1.24 9.36 -1.13 -4.53 117.16 120.78 2elj n TYR 20 Ca 0.40 0.00 0.26 0.00 3.32 0.00 0.00 57.90 61.88 2elj n TYR 20 Cb 0.95 -0.75 0.51 0.00 -0.63 0.00 0.00 39.34 39.42 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 -0.82 2.05 -0.96 2.98 0.00 -1.83 0.10 119.26 120.79 2elj h ALA 21 Ca -0.49 0.20 0.18 0.00 0.00 0.00 0.00 54.91 54.80 2elj h ALA 21 Cb 1.40 0.20 -0.17 0.00 0.00 0.00 0.00 17.79 19.21 2elj h ALA 21 CO -0.29 -0.70 -0.28 1.28 0.00 0.00 0.00 179.25 179.25 2elj n LEU 22 N -5.07 -0.43 -4.17 0.00 4.77 -1.26 -4.49 117.00 106.34 2elj n LEU 22 Ca 0.33 1.65 -0.28 0.00 -0.03 0.00 0.00 56.01 57.68 2elj n LEU 22 Cb 1.08 -0.46 0.16 0.00 -2.33 0.00 0.00 43.42 41.87 2elj n LEU 22 CO 0.08 -1.55 -0.45 0.18 -1.33 0.00 0.00 177.39 174.32 2elj n LEU 23 N -5.51 -2.02 -4.78 2.23 4.77 0.02 -5.01 117.00 106.70 2elj n LEU 23 Ca 0.14 -0.23 -0.22 0.00 -0.03 0.00 0.00 56.01 55.66 2elj n LEU 23 Cb 0.45 -0.86 -0.05 0.00 -2.33 0.00 0.00 43.42 40.63 2elj n LEU 23 CO -0.12 -3.13 -0.19 -0.55 -1.33 0.00 0.00 177.39 172.07 2elj s SER 24 N -1.86 5.12 0.33 -1.43 0.15 -1.26 -4.89 113.70 109.85 2elj s SER 24 Ca 0.49 -0.48 0.12 0.00 0.70 0.00 0.00 55.95 56.77 2elj s SER 24 Cb -0.08 -1.07 1.03 0.00 -1.71 0.00 0.00 66.02 64.18 2elj s SER 24 CO 0.55 -0.14 1.50 0.59 1.20 0.00 0.00 173.24 176.94 2elj n ASN 25 N -1.16 0.13 0.22 5.45 3.02 -1.26 -0.35 115.26 121.32 2elj n ASN 25 Ca -0.05 1.60 -0.09 0.00 -0.03 0.00 0.00 54.58 56.01 2elj n ASN 25 Cb 0.59 -0.69 -0.04 0.00 -0.61 0.00 0.00 39.78 39.03 2elj n ASN 25 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2elj h ASP 26 N 0.00 -0.49 -0.75 6.41 3.32 -2.01 -2.85 116.42 120.05 2elj h ASP 26 Ca 0.70 0.02 0.17 0.00 0.02 0.00 0.00 57.03 57.94 2elj h ASP 26 Cb 1.70 0.13 -0.12 0.00 0.22 0.00 0.00 39.33 41.26 2elj h ASP 26 CO -0.81 -0.31 0.07 -0.33 -1.72 0.00 0.00 179.24 176.14 2elj h GLU 27 N -0.67 0.15 -0.36 3.56 5.08 -1.44 -1.55 114.58 119.35 2elj h GLU 27 Ca -0.06 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2elj h GLU 27 Cb 0.44 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.58 2elj h GLU 27 CO 0.10 0.10 -0.50 1.96 -1.00 0.00 0.00 179.01 179.66 2elj h GLN 28 N 0.15 -0.39 -0.76 2.33 4.20 -0.69 -0.56 115.11 119.40 2elj h GLN 28 Ca 0.42 0.03 0.07 0.00 0.06 0.00 0.00 58.65 59.22 2elj h GLN 28 Cb 0.74 0.09 -0.10 0.00 0.30 0.00 0.00 27.48 28.50 2elj h GLN 28 CO -0.61 -0.26 -0.54 1.96 -0.67 0.00 0.00 178.83 178.71 2elj h GLN 29 N -0.40 -0.11 0.20 1.46 1.08 -1.04 -1.30 115.11 115.00 2elj h GLN 29 Ca 0.09 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 2elj h GLN 29 Cb 0.61 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 28.03 2elj h GLN 29 CO -0.56 -0.07 -0.46 1.25 -0.95 0.00 0.00 178.83 178.04 2elj h LEU 30 N -0.11 -1.34 -0.87 1.46 5.85 -1.33 -1.49 115.31 117.47 2elj h LEU 30 Ca 0.12 0.13 0.32 0.00 0.84 0.00 0.00 57.88 59.30 2elj h LEU 30 Cb 0.43 0.48 -0.16 0.00 0.37 0.00 0.00 40.66 41.79 2elj h LEU 30 CO -0.78 -0.52 0.32 0.00 -0.34 0.00 0.00 178.44 177.13 2elj h ILE 32 N 0.00 0.00 -0.71 0.00 2.04 -0.28 0.63 117.51 119.20 2elj h ILE 32 Ca 0.67 -0.25 0.15 0.00 1.00 0.00 0.00 64.86 66.43 2elj h ILE 32 Cb 1.67 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.62 2elj h ILE 32 CO -0.72 0.00 -0.12 1.56 0.00 0.00 0.00 178.15 178.87 2elj h GLN 33 N -0.83 0.03 0.00 2.37 4.20 -0.13 0.68 115.11 121.43 2elj h GLN 33 Ca -0.06 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2elj h GLN 33 Cb 0.45 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.22 2elj h GLN 33 CO 0.10 0.02 0.00 -0.07 -0.67 0.00 0.00 178.83 178.21 2elj h LEU 34 N 0.03 0.00 -0.49 1.46 3.38 -0.82 -3.47 115.31 115.39 2elj h LEU 34 Ca 0.35 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.95 2elj h LEU 34 Cb 0.57 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.43 2elj h LEU 34 CO -0.69 0.00 -0.62 0.29 0.09 0.00 0.00 178.44 177.51 2elj n LYS 35 N -2.86 -6.87 -4.28 1.13 5.02 0.24 -5.00 118.16 105.55 2elj n LYS 35 Ca 0.03 0.79 -0.34 0.00 -2.02 0.00 0.00 58.31 56.78 2elj n LYS 35 Cb 0.43 -5.65 -0.09 0.00 -0.02 0.00 0.00 35.03 29.70 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 -3.27 4.36 0.53 -0.18 1.01 0.04 -4.82 121.20 118.87 2elj s ILE 36 Ca 0.49 -0.39 -0.19 0.00 0.00 0.00 0.00 60.65 60.57 2elj s ILE 36 Cb -0.22 -2.90 -0.07 0.00 0.01 0.00 0.00 42.46 39.28 2elj s ILE 36 CO 0.61 0.48 1.08 -0.76 0.00 0.00 0.00 174.94 176.35 2elj s LEU 37 N -1.27 3.75 0.48 2.97 1.43 -1.26 -4.71 118.68 120.07 2elj s LEU 37 Ca 0.17 2.01 0.27 0.00 -1.03 0.00 0.00 54.13 55.55 2elj s LEU 37 Cb -0.12 -4.56 1.13 0.00 0.03 0.00 0.00 46.19 42.68 2elj s LEU 37 CO 0.07 -1.02 1.91 1.55 0.23 0.00 0.00 176.35 179.10 2elj h PRO 38 N 1.24 0.00 0.73 1.29 0.13 -1.93 -1.88 132.00 131.58 2elj h PRO 38 Ca -0.49 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 2elj h PRO 38 Cb 1.24 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.37 2elj h PRO 38 CO 0.58 0.16 -0.35 -0.22 -0.23 0.00 0.00 178.00 177.94 2elj h LYS 39 N 0.00 -0.95 -0.33 0.86 1.63 -1.93 -2.67 116.57 113.19 2elj h LYS 39 Ca -0.00 0.06 -0.15 0.00 -0.85 0.00 0.00 60.65 59.71 2elj h LYS 39 Cb 0.61 0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 32.45 2elj h LYS 39 CO 0.02 -0.62 -0.40 -1.00 -3.45 0.00 0.00 179.45 174.00 2elj h PRO 40 N -1.24 0.79 -0.82 1.90 0.13 -1.97 -3.01 132.00 127.78 2elj h PRO 40 Ca -0.10 -0.42 0.10 0.00 -0.87 0.00 0.00 66.00 64.71 2elj h PRO 40 Cb 0.76 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.85 2elj h PRO 40 CO 0.17 1.05 0.53 -0.92 -0.23 0.00 0.00 178.00 178.60 2elj h TYR 41 N 0.65 0.81 -0.16 1.56 5.03 -1.42 -1.46 116.97 121.97 2elj h TYR 41 Ca 0.05 0.02 -0.12 0.00 2.58 0.00 0.00 58.73 61.27 2elj h TYR 41 Cb 0.96 -0.26 0.00 0.00 1.55 0.00 0.00 36.73 38.98 2elj h TYR 41 CO 0.05 0.37 -0.36 -0.07 -1.32 0.00 0.00 178.16 176.83 2elj h LEU 42 N 0.75 0.60 0.06 2.82 3.38 -1.39 -0.68 115.31 120.85 2elj h LEU 42 Ca 0.38 -0.56 0.02 0.00 0.09 0.00 0.00 57.88 57.81 2elj h LEU 42 Cb 0.47 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2elj h LEU 42 CO -0.15 1.06 -0.18 0.58 0.09 0.00 0.00 178.44 179.83 2elj h VAL 43 N 0.18 0.58 -0.53 1.22 2.07 -1.22 -2.52 116.25 116.02 2elj h VAL 43 Ca 0.00 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 2elj h VAL 43 Cb 0.97 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 2elj h VAL 43 CO 0.08 0.00 -0.11 0.17 0.02 0.00 0.00 177.57 177.73 2elj h LEU 44 N -0.33 1.02 -0.89 2.57 8.10 -1.37 -3.03 115.31 121.38 2elj h LEU 44 Ca 0.04 -0.35 0.23 0.00 0.11 0.00 0.00 57.88 57.90 2elj h LEU 44 Cb 0.37 -0.28 -0.13 0.00 -0.44 0.00 0.00 40.66 40.18 2elj h LEU 44 CO -0.13 1.13 0.36 0.50 -4.11 0.00 0.00 178.44 176.19 2elj h LYS 45 N 0.89 0.33 0.42 0.17 3.64 -0.80 -0.95 116.57 120.27 2elj h LYS 45 Ca 0.14 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2elj h LYS 45 Cb 0.67 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 2elj h LYS 45 CO 0.05 0.22 -0.31 0.93 -2.27 0.00 0.00 179.45 178.07 2elj h GLU 46 N 0.34 -0.69 -0.91 1.90 5.08 -1.33 -2.63 114.58 116.35 2elj h GLU 46 Ca 0.56 0.05 0.25 0.00 -1.00 0.00 0.00 59.36 59.22 2elj h GLU 46 Cb 1.10 0.16 -0.16 0.00 0.50 0.00 0.00 28.75 30.35 2elj h GLU 46 CO -0.56 -0.46 0.10 0.28 -1.00 0.00 0.00 179.01 177.37 2elj h VAL 47 N -0.71 0.16 0.35 3.13 2.07 -1.24 0.48 116.25 120.49 2elj h VAL 47 Ca -0.04 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 2elj h VAL 47 Cb 0.61 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 2elj h VAL 47 CO 0.01 0.01 -0.42 0.24 0.02 0.00 0.00 177.57 177.43 2elj h MET 48 N 0.08 -0.78 -0.01 1.57 2.86 -1.20 0.21 114.93 117.67 2elj h MET 48 Ca 0.56 0.05 0.03 0.00 -2.06 0.00 0.00 59.70 58.28 2elj h MET 48 Cb 1.15 0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.94 2elj h MET 48 CO -0.79 -0.52 -0.21 0.74 1.06 0.00 0.00 176.91 177.19 2elj h PHE 49 N -0.81 -0.54 -0.63 -0.22 0.04 -0.81 0.36 116.94 114.33 2elj h PHE 49 Ca -0.02 0.02 0.10 0.00 2.80 0.00 0.00 57.97 60.86 2elj h PHE 49 Cb 0.74 0.24 -0.07 0.00 2.20 0.00 0.00 35.95 39.06 2elj h PHE 49 CO -0.26 -0.29 0.24 0.00 -0.60 0.00 0.00 178.31 177.40 2elj h ARG 50 N -0.33 0.41 -0.29 1.51 3.08 -0.84 -0.68 114.38 117.25 2elj h ARG 50 Ca 0.06 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 2elj h ARG 50 Cb 0.41 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 2elj h ARG 50 CO -0.20 0.27 -0.28 1.49 -1.07 0.00 0.00 179.97 180.19 2elj h GLU 51 N 0.42 0.57 0.20 0.04 4.57 0.00 0.14 114.58 120.53 2elj h GLU 51 Ca 0.32 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2elj h GLU 51 Cb 0.41 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2elj h GLU 51 CO -0.32 0.79 -0.10 -0.07 -1.18 0.00 0.00 179.01 178.14 2elj h LEU 52 N 0.50 -0.23 -0.19 1.64 3.38 0.11 -1.32 115.31 119.20 2elj h LEU 52 Ca 0.07 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.82 2elj h LEU 52 Cb 0.74 0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.55 2elj h LEU 52 CO 0.06 -0.14 -0.67 0.17 0.09 0.00 0.00 178.44 177.95 2elj h LEU 53 N -0.29 0.92 -0.17 1.67 8.10 -1.21 0.43 115.31 124.77 2elj h LEU 53 Ca -0.03 -0.60 0.05 0.00 0.11 0.00 0.00 57.88 57.42 2elj h LEU 53 Cb 0.22 -0.27 -0.06 0.00 -0.44 0.00 0.00 40.66 40.12 2elj h LEU 53 CO 0.05 1.36 -0.24 0.11 -4.11 0.00 0.00 178.44 175.61 2elj h LYS 54 N 0.53 -0.27 0.00 0.17 1.57 -0.64 -2.51 116.57 115.42 2elj h LYS 54 Ca -0.03 0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 58.57 2elj h LYS 54 Cb 1.29 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.63 2elj h LYS 54 CO 0.14 -0.18 -1.03 1.79 -0.57 0.00 0.00 179.45 179.60 2elj h THR 55 N -0.29 1.34 -0.53 -0.16 1.35 -1.30 -3.48 112.91 109.84 2elj h THR 55 Ca 0.11 -2.98 0.00 0.00 -0.55 0.00 0.00 66.41 62.99 2elj h THR 55 Cb 0.45 2.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.52 2elj h THR 55 CO -0.33 0.76 0.00 0.61 -0.25 0.00 0.00 175.52 176.31 2elj n GLY 56 N 1.36 0.98 0.75 5.82 0.00 0.12 -4.63 105.19 109.59 2elj n GLY 56 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.26 0.74 2.23 -0.02 0.00 0.72 -5.00 105.19 103.59 2elj n GLY 57 Ca 0.00 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.75 4.21 -4.57 1.61 5.15 -1.26 -5.04 115.26 114.61 2elj n ASN 58 Ca 0.00 -3.40 -0.34 0.00 -0.60 0.00 0.00 54.58 50.23 2elj n ASN 58 Cb 0.29 -0.38 -0.11 0.00 -0.53 0.00 0.00 39.78 39.04 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 -3.62 3.39 0.39 1.20 2.96 -1.26 -5.07 118.68 116.67 2elj s LEU 59 Ca 0.46 -0.02 0.07 0.00 -0.22 0.00 0.00 54.13 54.42 2elj s LEU 59 Cb 0.39 -1.80 -0.08 0.00 0.50 0.00 0.00 46.19 45.21 2elj s LEU 59 CO 0.00 0.25 -0.00 -0.55 -1.32 0.00 0.00 176.35 174.74 2elj s SER 60 N -0.12 3.66 0.07 3.68 0.15 -1.26 -4.98 113.70 114.90 2elj s SER 60 Ca 0.03 -1.34 -0.30 0.00 0.70 0.00 0.00 55.95 55.04 2elj s SER 60 Cb -0.13 -0.35 -0.18 0.00 -1.71 0.00 0.00 66.02 63.65 2elj s SER 60 CO 0.02 -0.43 1.59 0.50 1.20 0.00 0.00 173.24 176.12 2elj h LYS 61 N 1.85 -0.68 -0.72 5.44 1.63 -1.99 0.53 116.57 122.62 2elj h LYS 61 Ca -0.43 0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.38 2elj h LYS 61 Cb 1.24 0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 32.99 2elj h LYS 61 CO 0.78 -0.43 0.31 1.03 -3.45 0.00 0.00 179.45 177.69 2elj h SER 62 N -0.75 0.98 -0.34 4.20 0.87 -2.01 -2.70 113.55 113.81 2elj h SER 62 Ca -0.07 -0.16 -0.10 0.00 -1.23 0.00 0.00 61.79 60.23 2elj h SER 62 Cb 0.56 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 2elj h SER 62 CO 0.12 0.87 -0.14 0.00 -0.53 0.00 0.00 176.83 177.15 2elj h ALA 63 N 1.15 0.96 -0.67 6.23 0.00 -1.94 -3.09 119.26 121.90 2elj h ALA 63 Ca 0.24 -0.33 0.14 0.00 0.00 0.00 0.00 54.91 54.96 2elj h ALA 63 Cb 0.18 -0.17 -0.12 0.00 0.00 0.00 0.00 17.79 17.67 2elj h ALA 63 CO -0.02 0.61 -0.11 0.00 0.00 0.00 0.00 179.25 179.73 2elj h ARG 65 N 0.03 0.72 0.03 0.00 0.11 -1.56 -2.69 114.38 111.03 2elj h ARG 65 Ca 0.34 -0.20 -0.00 0.00 0.10 0.00 0.00 59.98 60.21 2elj h ARG 65 Cb 0.54 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.54 2elj h ARG 65 CO -0.66 0.76 -0.01 0.93 0.10 0.00 0.00 179.97 181.09 2elj h GLU 66 N 0.67 -0.03 -0.63 0.08 4.39 -0.53 -3.10 114.58 115.43 2elj h GLU 66 Ca 0.13 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.93 2elj h GLU 66 Cb 0.47 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.05 2elj h GLU 66 CO 0.02 0.21 0.24 1.25 -1.16 0.00 0.00 179.01 179.57 2elj h LEU 67 N -0.28 0.24-10.14 1.33 5.85 -0.52 -3.42 115.31 108.38 2elj h LEU 67 Ca -0.00 0.08 -0.50 0.00 0.84 0.00 0.00 57.88 58.30 2elj h LEU 67 Cb 0.26 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.35 2elj h LEU 67 CO 0.01 0.14 0.06 -0.76 -0.34 0.00 0.00 178.44 177.54 2elj s LEU 68 N -10.40 3.89 -0.65 2.25 1.43 -1.02 -4.99 118.68 109.19 2elj s LEU 68 Ca -0.13 1.04 -0.02 0.00 -1.03 0.00 0.00 54.13 53.99 2elj s LEU 68 Cb 0.17 -3.90 0.39 0.00 0.03 0.00 0.00 46.19 42.89 2elj s LEU 68 CO 0.75 -0.34 2.06 0.59 0.23 0.00 0.00 176.35 179.63 2elj n ASN 69 N -1.18 7.50 -4.59 2.29 4.13 -1.26 -4.82 115.26 117.34 2elj n ASN 69 Ca 0.01 -3.69 -0.27 0.00 1.68 0.00 0.00 54.58 52.31 2elj n ASN 69 Cb 0.54 -1.01 -0.10 0.00 -1.54 0.00 0.00 39.78 37.66 2elj n ASN 69 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2elj s ILE 70 N -4.48 1.69 0.84 2.41 -4.36 -1.26 -5.12 121.20 110.91 2elj s ILE 70 Ca 0.59 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.84 2elj s ILE 70 Cb 0.46 -2.84 0.04 0.00 1.25 0.00 0.00 42.46 41.38 2elj s ILE 70 CO -0.08 0.00 0.74 0.47 0.24 0.00 0.00 174.94 176.31 2elj n ASP 71 N -0.96 -0.70 0.01 4.36 8.00 -1.26 -4.85 116.55 121.15 2elj n ASP 71 Ca -0.06 0.49 -0.13 0.00 0.71 0.00 0.00 54.79 55.80 2elj n ASP 71 Cb 0.67 -1.32 -0.10 0.00 -0.02 0.00 0.00 41.12 40.35 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 -1.07 -0.05 -0.48 -0.24 0.13 -1.98 -2.56 132.00 125.74 2elj h PRO 72 Ca -0.45 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.76 2elj h PRO 72 Cb 1.30 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.39 2elj h PRO 72 CO 0.41 0.41 0.15 0.82 -0.23 0.00 0.00 178.00 179.56 2elj h ILE 73 N -0.54 0.81 0.06 -3.56 2.04 -2.01 -2.17 117.51 112.14 2elj h ILE 73 Ca -0.01 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.75 2elj h ILE 73 Cb 0.49 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2elj h ILE 73 CO 0.01 0.06 -0.07 0.11 0.00 0.00 0.00 178.15 178.26 2elj h LYS 74 N 0.31 -0.14 -0.50 2.37 1.57 -1.94 -2.91 116.57 115.32 2elj h LYS 74 Ca 0.23 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 59.12 2elj h LYS 74 Cb 0.26 0.03 -0.10 0.00 0.08 0.00 0.00 32.23 32.50 2elj h LYS 74 CO -0.26 -0.09 -0.22 0.00 -0.57 0.00 0.00 179.45 178.31 2elj h ALA 75 N 0.79 0.14 -0.96 3.86 0.00 -1.01 -1.51 119.26 120.56 2elj h ALA 75 Ca 0.01 0.17 0.16 0.00 0.00 0.00 0.00 54.91 55.25 2elj h ALA 75 Cb 0.15 0.55 -0.16 0.00 0.00 0.00 0.00 17.79 18.33 2elj h ALA 75 CO -0.02 -0.56 -0.35 0.09 0.00 0.00 0.00 179.25 178.41 2elj n ASN 76 N -5.41 -0.57 0.20 0.00 3.02 -0.86 -0.97 115.26 110.67 2elj n ASN 76 Ca 0.04 1.67 -0.13 0.00 -0.03 0.00 0.00 54.58 56.13 2elj n ASN 76 Cb 0.32 -0.41 -0.07 0.00 -0.61 0.00 0.00 39.78 39.01 2elj n ASN 76 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2elj h ARG 77 N 0.00 -0.68 -0.79 3.52 2.47 -1.31 -2.70 114.38 114.88 2elj h ARG 77 Ca 0.36 0.05 0.15 0.00 -1.26 0.00 0.00 59.98 59.27 2elj h ARG 77 Cb 0.60 0.16 -0.14 0.00 -1.65 0.00 0.00 29.97 28.93 2elj h ARG 77 CO -0.96 -0.46 -0.28 0.82 0.56 0.00 0.00 179.97 179.65 2elj h ILE 78 N -0.71 0.14 -0.55 2.04 2.04 -0.96 -0.72 117.51 118.79 2elj h ILE 78 Ca -0.04 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.88 2elj h ILE 78 Cb 0.63 0.14 -0.09 0.00 -0.74 0.00 0.00 36.82 36.75 2elj h ILE 78 CO -0.07 0.00 -0.56 0.22 0.00 0.00 0.00 178.15 177.74 2elj h TYR 79 N -0.05 -1.73 -0.42 1.37 3.20 -0.78 -0.33 116.97 118.23 2elj h TYR 79 Ca 0.34 0.09 0.06 0.00 3.14 0.00 0.00 58.73 62.37 2elj h TYR 79 Cb 0.59 0.83 -0.06 0.00 1.54 0.00 0.00 36.73 39.63 2elj h TYR 79 CO -0.69 -0.46 0.09 0.22 -1.64 0.00 0.00 178.16 175.67 2elj h ASP 80 N -0.30 0.02 -0.58 -2.11 1.82 -0.88 -2.59 116.42 111.80 2elj h ASP 80 Ca 0.10 0.07 0.10 0.00 -0.39 0.00 0.00 57.03 56.90 2elj h ASP 80 Cb 0.55 0.09 -0.11 0.00 0.68 0.00 0.00 39.33 40.55 2elj h ASP 80 CO -0.68 0.05 -0.38 0.15 -1.61 0.00 0.00 179.24 176.77 2elj h PHE 81 N 0.22 -1.09 -1.06 0.28 3.57 0.15 0.38 116.94 119.40 2elj h PHE 81 Ca 0.20 0.08 0.28 0.00 3.53 0.00 0.00 57.97 62.06 2elj h PHE 81 Cb 0.24 0.56 -0.10 0.00 2.79 0.00 0.00 35.95 39.44 2elj h PHE 81 CO -0.20 -0.40 0.67 0.74 -2.23 0.00 0.00 178.31 176.88 2elj h PHE 82 N -0.20 0.72 -0.51 0.41 -1.00 -0.88 0.26 116.94 115.74 2elj h PHE 82 Ca 0.21 0.03 -0.06 0.00 2.81 0.00 0.00 57.97 60.95 2elj h PHE 82 Cb 0.56 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 2elj h PHE 82 CO -0.67 0.03 0.07 1.96 -1.61 0.00 0.00 178.31 178.09 2elj h GLN 83 N 0.40 0.86 -0.71 1.51 4.20 -0.20 -1.28 115.11 119.89 2elj h GLN 83 Ca 0.63 -0.24 0.11 0.00 0.06 0.00 0.00 58.65 59.21 2elj h GLN 83 Cb 1.55 -0.10 -0.12 0.00 0.30 0.00 0.00 27.48 29.11 2elj h GLN 83 CO -0.35 0.86 -0.41 0.77 -0.67 0.00 0.00 178.83 179.02 2elj h SER 84 N 0.74 -1.45 -0.23 1.46 0.02 0.11 0.88 113.55 115.09 2elj h SER 84 Ca 0.15 0.26 -0.12 0.00 -0.84 0.00 0.00 61.79 61.25 2elj h SER 84 Cb 0.42 0.69 -0.07 0.00 0.14 0.00 0.00 62.40 63.59 2elj h SER 84 CO 0.01 -0.31 0.15 0.00 -1.14 0.00 0.00 176.83 175.54 2elj n GLN 85 N -5.42 1.30 -3.69 3.45 1.13 -1.20 -4.83 117.38 108.12 2elj n GLN 85 Ca 0.04 -0.69 -0.30 0.00 -1.94 0.00 0.00 57.00 54.11 2elj n GLN 85 Cb 0.36 -1.28 -0.06 0.00 0.11 0.00 0.00 30.24 29.37 2elj n GLN 85 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2elj n ASN 86 N 0.12 -1.22 -0.04 1.08 5.15 0.31 -4.77 115.26 115.89 2elj n ASN 86 Ca 0.14 -0.90 -0.14 0.00 -0.60 0.00 0.00 54.58 53.08 2elj n ASN 86 Cb 0.76 -1.15 -0.12 0.00 -0.53 0.00 0.00 39.78 38.75 2elj n ASN 86 CO 0.00 0.00 0.00 -0.50 1.40 0.00 0.00 177.26 178.16 2elj h TRP 87 N -0.64 0.10 0.00 1.20 6.55 -1.40 -3.49 115.95 118.27 2elj h TRP 87 Ca -0.43 -0.06 0.00 0.00 0.95 0.00 0.00 58.89 59.35 2elj h TRP 87 Cb 1.00 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 29.29 2elj h TRP 87 CO 0.50 0.88 0.00 -1.33 -1.05 0.00 0.00 178.44 177.44