#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 5.63 -1.40 1.61 0.01 -1.26 -4.02 113.70 114.28 2elj s SER 2 Ca 0.00 0.99 -0.14 0.00 1.31 0.00 0.00 55.95 58.11 2elj s SER 2 Cb 0.00 -1.92 0.14 0.00 0.21 0.00 0.00 66.02 64.45 2elj s SER 2 CO 0.00 -1.14 0.36 -1.54 0.41 0.00 0.00 173.24 171.33 2elj n SER 3 N -2.78 -0.94 -3.97 2.44 3.41 -1.26 -4.80 113.62 105.73 2elj n SER 3 Ca 0.05 -0.97 -0.41 0.00 -0.26 0.00 0.00 58.87 57.29 2elj n SER 3 Cb 0.57 -1.23 -0.01 0.00 -0.26 0.00 0.00 64.21 63.28 2elj n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2elj n GLY 4 N -1.21 4.98 3.66 5.00 0.00 -1.26 -5.02 105.19 111.34 2elj n GLY 4 Ca 0.02 -2.67 -0.41 0.00 0.00 0.00 0.00 46.02 42.95 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 -1.48 6.81 0.56 1.61 0.15 -1.26 -5.02 113.70 115.07 2elj s SER 5 Ca 0.32 1.00 -0.19 0.00 0.70 0.00 0.00 55.95 57.78 2elj s SER 5 Cb 0.04 -2.41 -0.07 0.00 -1.71 0.00 0.00 66.02 61.88 2elj s SER 5 CO 0.06 -0.39 0.86 -1.20 1.20 0.00 0.00 173.24 173.77 2elj n SER 6 N 5.44 0.40 0.00 5.45 7.64 -1.26 -4.87 113.62 126.41 2elj n SER 6 Ca 0.03 0.82 0.00 0.00 1.01 0.00 0.00 58.87 60.73 2elj n SER 6 Cb 0.49 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 2elj n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2elj n GLY 7 N 1.39 3.15 3.61 0.23 0.00 -1.26 -5.14 105.19 107.17 2elj n GLY 7 Ca 0.12 -1.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.24 2elj n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2elj s ASN 8 N 0.00 3.43 -0.47 1.61 -0.87 -1.26 -5.11 114.94 112.27 2elj s ASN 8 Ca 0.00 -1.52 -0.10 0.00 -1.57 0.00 0.00 52.86 49.68 2elj s ASN 8 Cb 0.00 0.12 0.11 0.00 -0.02 0.00 0.00 41.25 41.46 2elj s ASN 8 CO 0.00 -0.70 0.34 -0.32 -2.57 0.00 0.00 177.10 173.86 2elj s MET 9 N -3.80 2.54 0.39 -0.60 1.75 -1.26 -5.07 119.30 113.24 2elj s MET 9 Ca 0.24 -1.70 0.08 0.00 -1.25 0.00 0.00 55.69 53.05 2elj s MET 9 Cb 0.06 -3.93 -0.00 0.00 2.84 0.00 0.00 34.83 33.80 2elj s MET 9 CO 0.12 -1.16 0.50 0.99 -0.65 0.00 0.00 175.02 174.82 2elj s THR 10 N 1.39 3.28 0.11 10.11 2.01 -1.26 -5.04 115.64 126.24 2elj s THR 10 Ca 0.05 -1.06 -0.12 0.00 0.31 0.00 0.00 61.69 60.87 2elj s THR 10 Cb -0.26 -3.12 -0.16 0.00 0.01 0.00 0.00 72.50 68.98 2elj s THR 10 CO 0.00 -0.05 1.31 0.40 -0.69 0.00 0.00 174.62 175.59 2elj h ILE 11 N 0.79 1.28 -1.00 1.82 2.04 -1.96 -3.21 117.51 117.28 2elj h ILE 11 Ca -0.42 -2.00 0.19 0.00 1.00 0.00 0.00 64.86 63.62 2elj h ILE 11 Cb 1.27 2.01 -0.10 0.00 -0.74 0.00 0.00 36.82 39.26 2elj h ILE 11 CO 0.49 0.63 0.61 0.77 0.00 0.00 0.00 178.15 180.66 2elj h SER 12 N 0.51 0.76 0.19 1.72 4.64 -2.00 -2.17 113.55 117.20 2elj h SER 12 Ca -0.06 0.09 0.01 0.00 -0.47 0.00 0.00 61.79 61.36 2elj h SER 12 Cb 1.42 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 63.41 2elj h SER 12 CO 0.16 0.29 -0.52 0.44 -0.87 0.00 0.00 176.83 176.33 2elj h ASP 13 N 0.75 -1.54 -0.98 4.97 5.19 -1.97 0.11 116.42 122.95 2elj h ASP 13 Ca 0.56 0.16 0.18 0.00 -0.62 0.00 0.00 57.03 57.31 2elj h ASP 13 Cb 0.89 0.56 -0.18 0.00 0.18 0.00 0.00 39.33 40.79 2elj h ASP 13 CO -0.35 -0.58 -0.30 0.40 -3.12 0.00 0.00 179.24 175.30 2elj h ILE 14 N -0.80 0.02 -0.37 0.35 2.04 -1.52 0.40 117.51 117.62 2elj h ILE 14 Ca -0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 2elj h ILE 14 Cb 0.78 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2elj h ILE 14 CO -0.25 0.00 0.08 1.56 0.00 0.00 0.00 178.15 179.55 2elj h GLN 15 N -0.00 0.60 -1.02 2.37 4.20 -1.40 -2.71 115.11 117.14 2elj h GLN 15 Ca 0.42 -0.15 0.26 0.00 0.06 0.00 0.00 58.65 59.25 2elj h GLN 15 Cb 0.67 -0.08 -0.08 0.00 0.30 0.00 0.00 27.48 28.30 2elj h GLN 15 CO -0.99 0.65 0.68 1.25 -0.67 0.00 0.00 178.83 179.74 2elj h HIS 16 N 0.46 0.48 -3.93 2.96 2.76 0.23 -3.41 115.15 114.70 2elj h HIS 16 Ca 0.12 0.02 -0.53 0.00 -2.20 0.00 0.00 60.37 57.77 2elj h HIS 16 Cb 0.32 -0.14 0.09 0.00 1.55 0.00 0.00 27.41 29.23 2elj h HIS 16 CO 0.02 0.06 0.71 0.00 -1.30 0.00 0.00 177.93 177.43 2elj s ALA 17 N -5.35 3.48 0.12 5.26 0.00 -0.56 -4.94 121.76 119.77 2elj s ALA 17 Ca -0.08 1.44 -0.13 0.00 0.00 0.00 0.00 51.96 53.20 2elj s ALA 17 Cb 0.24 -3.56 -0.06 0.00 0.00 0.00 0.00 23.12 19.74 2elj s ALA 17 CO 0.79 -0.94 1.45 -1.00 0.00 0.00 0.00 175.76 176.06 2elj h PRO 18 N 2.98 0.83 -0.03 0.00 0.13 -1.87 -3.02 132.00 131.02 2elj h PRO 18 Ca -0.50 -0.44 0.01 0.00 -0.87 0.00 0.00 66.00 64.20 2elj h PRO 18 Cb 1.24 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 2elj h PRO 18 CO 0.64 1.08 0.02 -0.44 -0.23 0.00 0.00 178.00 179.07 2elj h ASP 19 N 0.62 0.00 0.00 1.44 3.32 -1.92 -1.63 116.42 118.25 2elj h ASP 19 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2elj h ASP 19 Cb 0.93 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.48 2elj h ASP 19 CO 0.08 0.00 0.38 0.22 -1.72 0.00 0.00 179.24 178.20 2elj h TYR 20 N 0.00 0.00 0.06 4.55 3.20 -1.76 0.38 116.97 123.40 2elj h TYR 20 Ca 0.01 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.61 2elj h TYR 20 Cb 0.06 0.00 0.02 0.00 1.54 0.00 0.00 36.73 38.35 2elj h TYR 20 CO 0.00 0.00 -1.12 0.00 -1.64 0.00 0.00 178.16 175.40 2elj h ALA 21 N 1.13 0.14 -0.35 1.82 0.00 -1.49 -3.31 119.26 117.20 2elj h ALA 21 Ca 0.00 -0.75 0.07 0.00 0.00 0.00 0.00 54.91 54.23 2elj h ALA 21 Cb 0.76 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 2elj h ALA 21 CO 0.00 0.75 -0.11 -0.07 0.00 0.00 0.00 179.25 179.82 2elj h LEU 22 N 0.27 -0.38 -9.43 0.00 -0.00 -0.42 -3.42 115.31 101.93 2elj h LEU 22 Ca -0.14 0.11 -0.62 0.00 -0.00 0.00 0.00 57.88 57.23 2elj h LEU 22 Cb 1.78 0.24 0.09 0.00 -0.00 0.00 0.00 40.66 42.77 2elj h LEU 22 CO 0.21 -0.14 0.34 0.18 -0.00 0.00 0.00 178.44 179.03 2elj n LEU 23 N -5.30 2.04 -4.68 1.67 4.77 -1.24 -4.96 117.00 109.31 2elj n LEU 23 Ca 0.01 1.15 -0.30 0.00 -0.03 0.00 0.00 56.01 56.84 2elj n LEU 23 Cb 0.21 -1.29 0.22 0.00 -2.33 0.00 0.00 43.42 40.23 2elj n LEU 23 CO 0.16 -1.08 0.69 -0.55 -1.33 0.00 0.00 177.39 175.28 2elj s SER 24 N -0.02 1.58 0.15 -1.43 0.15 -1.26 -4.63 113.70 108.23 2elj s SER 24 Ca 0.69 0.58 -0.17 0.00 0.70 0.00 0.00 55.95 57.75 2elj s SER 24 Cb -0.77 -0.80 0.04 0.00 -1.71 0.00 0.00 66.02 62.78 2elj s SER 24 CO 0.53 -3.71 1.74 -0.55 1.20 0.00 0.00 173.24 172.45 2elj h ASN 25 N -2.30 0.06 -0.04 5.45 7.08 -1.95 0.12 115.58 124.01 2elj h ASN 25 Ca -0.45 0.04 -0.00 0.00 -3.08 0.00 0.00 56.30 52.81 2elj h ASN 25 Cb 1.28 0.05 -0.00 0.00 -2.08 0.00 0.00 38.32 37.57 2elj h ASN 25 CO 0.37 0.07 0.02 0.44 -2.08 0.00 0.00 177.43 176.25 2elj h ASP 26 N 0.21 0.05 -0.10 6.14 3.32 -2.01 -2.80 116.42 121.22 2elj h ASP 26 Ca 0.15 -0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.14 2elj h ASP 26 Cb 0.14 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2elj h ASP 26 CO -0.17 0.11 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.09 2elj h GLU 27 N -0.02 -0.03 -0.55 3.56 5.08 -1.83 -2.85 114.58 117.93 2elj h GLU 27 Ca 0.01 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.47 2elj h GLU 27 Cb 0.08 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.23 2elj h GLU 27 CO -0.00 -0.02 -0.36 1.96 -1.00 0.00 0.00 179.01 179.58 2elj h GLN 28 N -0.03 -0.19 -0.98 2.33 4.20 -0.66 -1.01 115.11 118.76 2elj h GLN 28 Ca 0.06 0.01 0.15 0.00 0.06 0.00 0.00 58.65 58.93 2elj h GLN 28 Cb 0.12 0.04 -0.16 0.00 0.30 0.00 0.00 27.48 27.78 2elj h GLN 28 CO -0.12 -0.13 -0.41 1.96 -0.67 0.00 0.00 178.83 179.46 2elj h GLN 29 N -0.20 -0.01 0.26 1.46 1.08 -1.25 -0.92 115.11 115.53 2elj h GLN 29 Ca 0.21 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.40 2elj h GLN 29 Cb 0.56 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.96 2elj h GLN 29 CO -0.66 -0.00 -0.39 1.25 -0.95 0.00 0.00 178.83 178.08 2elj h LEU 30 N -0.01 -1.12 -0.87 1.46 5.85 -1.20 -0.71 115.31 118.70 2elj h LEU 30 Ca 0.33 0.10 0.35 0.00 0.84 0.00 0.00 57.88 59.49 2elj h LEU 30 Cb 0.58 0.39 -0.16 0.00 0.37 0.00 0.00 40.66 41.84 2elj h LEU 30 CO -0.98 -0.47 0.39 0.00 -0.34 0.00 0.00 178.44 177.05 2elj h ILE 32 N 0.00 1.45 0.40 0.00 2.04 -0.64 0.81 117.51 121.56 2elj h ILE 32 Ca 0.71 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 2elj h ILE 32 Cb 1.81 2.33 -0.01 0.00 -0.74 0.00 0.00 36.82 40.21 2elj h ILE 32 CO -0.70 0.36 -0.31 1.56 0.00 0.00 0.00 178.15 179.06 2elj h GLN 33 N -0.50 -0.68 -0.57 2.37 1.08 0.19 -1.92 115.11 115.09 2elj h GLN 33 Ca 0.00 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2elj h GLN 33 Cb 0.60 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.19 2elj h GLN 33 CO 0.01 -0.45 0.00 1.28 -0.95 0.00 0.00 178.83 178.72 2elj n LEU 34 N -5.43 2.05 -3.99 1.46 4.77 0.62 -4.90 117.00 111.58 2elj n LEU 34 Ca -0.10 -1.03 -0.26 0.00 -0.03 0.00 0.00 56.01 54.58 2elj n LEU 34 Cb 0.33 -0.38 -0.08 0.00 -2.33 0.00 0.00 43.42 40.97 2elj n LEU 34 CO 0.31 0.37 -0.38 0.29 -1.33 0.00 0.00 177.39 176.65 2elj n LYS 35 N 0.24 -0.92 -4.05 3.23 4.01 0.45 -4.90 118.16 116.22 2elj n LYS 35 Ca 0.09 0.07 -0.26 0.00 -0.51 0.00 0.00 58.31 57.70 2elj n LYS 35 Cb 0.41 -2.88 -0.05 0.00 -0.51 0.00 0.00 35.03 32.00 2elj n LYS 35 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2elj s ILE 36 N -4.12 4.71 0.23 -0.18 1.01 0.25 -4.98 121.20 118.12 2elj s ILE 36 Ca 0.02 -0.99 -0.03 0.00 0.00 0.00 0.00 60.65 59.64 2elj s ILE 36 Cb -0.01 -3.42 -0.05 0.00 0.01 0.00 0.00 42.46 38.99 2elj s ILE 36 CO 0.82 -0.12 0.46 -0.76 0.00 0.00 0.00 174.94 175.34 2elj s LEU 37 N -3.18 4.16 0.38 2.97 1.43 -1.26 -4.63 118.68 118.55 2elj s LEU 37 Ca 0.32 0.58 0.17 0.00 -1.03 0.00 0.00 54.13 54.17 2elj s LEU 37 Cb -0.10 -3.36 0.76 0.00 0.03 0.00 0.00 46.19 43.52 2elj s LEU 37 CO 0.25 -0.09 1.79 1.55 0.23 0.00 0.00 176.35 180.08 2elj h PRO 38 N 2.00 0.00 0.95 1.29 0.13 -1.93 -1.72 132.00 132.73 2elj h PRO 38 Ca -0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 2elj h PRO 38 Cb 1.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.33 2elj h PRO 38 CO 0.68 0.37 -0.46 -0.22 -0.23 0.00 0.00 178.00 178.14 2elj h LYS 39 N 0.00 -1.23 -0.27 0.86 1.63 -1.94 -2.37 116.57 113.25 2elj h LYS 39 Ca -0.00 0.08 -0.11 0.00 -0.85 0.00 0.00 60.65 59.77 2elj h LYS 39 Cb 0.77 0.28 -0.00 0.00 -0.60 0.00 0.00 32.23 32.68 2elj h LYS 39 CO 0.05 -0.82 -0.26 -1.00 -3.45 0.00 0.00 179.45 173.97 2elj h PRO 40 N -1.33 0.64 -0.74 1.90 0.13 -1.99 -2.94 132.00 127.68 2elj h PRO 40 Ca -0.13 -0.34 0.20 0.00 -0.87 0.00 0.00 66.00 64.86 2elj h PRO 40 Cb 0.98 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.09 2elj h PRO 40 CO 0.21 0.94 0.52 -0.92 -0.23 0.00 0.00 178.00 178.52 2elj h TYR 41 N 0.37 0.13 0.00 1.56 5.03 -1.37 0.36 116.97 123.05 2elj h TYR 41 Ca 0.04 0.00 -0.16 0.00 2.58 0.00 0.00 58.73 61.20 2elj h TYR 41 Cb 0.82 -0.04 -0.02 0.00 1.55 0.00 0.00 36.73 39.04 2elj h TYR 41 CO 0.07 0.04 -0.84 -0.07 -1.32 0.00 0.00 178.16 176.04 2elj h LEU 42 N 0.11 0.00 -0.12 2.82 3.38 -1.32 -2.40 115.31 117.77 2elj h LEU 42 Ca 0.36 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.09 2elj h LEU 42 Cb 1.26 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.02 2elj h LEU 42 CO -0.04 0.70 -0.98 0.58 0.09 0.00 0.00 178.44 178.79 2elj h VAL 43 N 0.00 1.38 0.00 1.22 2.07 -0.21 -2.43 116.25 118.28 2elj h VAL 43 Ca -0.04 -2.43 -0.11 0.00 0.82 0.00 0.00 66.70 64.94 2elj h VAL 43 Cb 1.57 2.43 -0.02 0.00 -1.52 0.00 0.00 31.29 33.76 2elj h VAL 43 CO 0.08 0.73 -0.67 0.17 0.02 0.00 0.00 177.57 177.91 2elj h LEU 44 N 0.26 0.00 -0.02 2.57 8.10 -1.09 -3.32 115.31 121.81 2elj h LEU 44 Ca -0.09 0.00 -0.15 0.00 0.11 0.00 0.00 57.88 57.75 2elj h LEU 44 Cb 1.62 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.85 2elj h LEU 44 CO 0.17 0.48 -0.57 0.50 -4.11 0.00 0.00 178.44 174.91 2elj h LYS 45 N 0.00 0.42 -0.05 0.17 3.64 -1.45 -3.13 116.57 116.16 2elj h LYS 45 Ca -0.03 -0.43 0.02 0.00 -1.27 0.00 0.00 60.65 58.93 2elj h LYS 45 Cb 1.40 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 33.33 2elj h LYS 45 CO 0.06 1.09 0.16 1.05 -2.27 0.00 0.00 179.45 179.53 2elj h GLU 46 N -0.08 0.00 0.02 1.90 4.11 -1.54 -2.86 114.58 116.13 2elj h GLU 46 Ca -0.07 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.36 2elj h GLU 46 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2elj h GLU 46 CO 0.11 0.00 -0.01 0.28 0.07 0.00 0.00 179.01 179.47 2elj h VAL 47 N 0.00 0.00 -0.84 -1.06 2.07 -1.64 -2.70 116.25 112.08 2elj h VAL 47 Ca 0.03 -0.16 0.29 0.00 0.82 0.00 0.00 66.70 67.68 2elj h VAL 47 Cb 0.34 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.95 2elj h VAL 47 CO -0.00 0.00 0.24 0.23 0.02 0.00 0.00 177.57 178.06 2elj n MET 48 N -2.51 -0.06 0.09 1.57 2.81 -1.14 0.67 117.12 118.55 2elj n MET 48 Ca -0.00 1.21 -0.13 0.00 -1.81 0.00 0.00 57.70 56.96 2elj n MET 48 Cb 0.01 -2.04 -0.08 0.00 -0.71 0.00 0.00 33.22 30.40 2elj n MET 48 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 2elj h PHE 49 N 0.00 -0.23 -0.21 2.03 0.04 -1.64 0.34 116.94 117.27 2elj h PHE 49 Ca 0.61 -0.01 0.06 0.00 2.80 0.00 0.00 57.97 61.44 2elj h PHE 49 Cb 1.47 0.07 -0.01 0.00 2.20 0.00 0.00 35.95 39.69 2elj h PHE 49 CO -0.21 0.12 0.22 -0.09 -0.60 0.00 0.00 178.31 177.75 2elj h ARG 50 N -0.61 0.00 0.10 1.51 2.43 0.59 -1.11 114.38 117.29 2elj h ARG 50 Ca -0.02 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.81 2elj h ARG 50 Cb 0.45 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 2elj h ARG 50 CO 0.04 0.00 -1.83 1.49 -1.51 0.00 0.00 179.97 178.16 2elj h GLU 51 N 0.00 0.21 -0.43 0.20 4.57 -0.52 -3.33 114.58 115.28 2elj h GLU 51 Ca 0.10 -0.36 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 2elj h GLU 51 Cb 0.53 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.24 2elj h GLU 51 CO -0.00 1.03 0.29 -0.07 -1.18 0.00 0.00 179.01 179.08 2elj h LEU 52 N 0.06 0.50 -1.12 1.64 3.38 0.88 0.15 115.31 120.79 2elj h LEU 52 Ca -0.35 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.66 2elj h LEU 52 Cb 2.03 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 42.60 2elj h LEU 52 CO 0.11 0.36 0.60 0.17 0.09 0.00 0.00 178.44 179.77 2elj h LEU 53 N 0.59 0.95 -0.08 1.67 8.10 -1.47 0.51 115.31 125.57 2elj h LEU 53 Ca 0.16 -0.00 -0.13 0.00 0.11 0.00 0.00 57.88 58.01 2elj h LEU 53 Cb -0.07 -0.21 0.01 0.00 -0.44 0.00 0.00 40.66 39.95 2elj h LEU 53 CO -0.03 0.63 -0.47 0.50 -4.11 0.00 0.00 178.44 174.95 2elj h LYS 54 N 1.09 0.46 -0.59 0.17 3.64 -1.54 -3.08 116.57 116.72 2elj h LYS 54 Ca 0.38 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2elj h LYS 54 Cb 0.12 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2elj h LYS 54 CO -0.13 1.03 0.00 0.25 -2.27 0.00 0.00 179.45 178.32 2elj n THR 55 N -4.28 0.24 -2.29 1.00 -2.24 0.47 -4.85 114.28 102.34 2elj n THR 55 Ca -0.08 -0.15 -0.10 0.00 -2.27 0.00 0.00 64.05 61.45 2elj n THR 55 Cb 0.59 -0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 68.56 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 0.31 -0.30 1.62 3.38 0.00 0.09 -1.09 105.19 109.20 2elj n GLY 56 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.66 0.34 1.49 -0.02 0.00 0.16 -4.99 105.19 101.51 2elj n GLY 57 Ca -0.11 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 2elj n GLY 57 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2elj n ASN 58 N -1.07 3.59 -4.78 1.61 3.02 -0.25 -5.06 115.26 112.33 2elj n ASN 58 Ca -0.05 -3.76 -0.36 0.00 -0.03 0.00 0.00 54.58 50.39 2elj n ASN 58 Cb 0.53 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 39.27 2elj n ASN 58 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2elj s LEU 59 N -3.42 3.91 0.02 3.41 2.96 -1.26 -5.06 118.68 119.23 2elj s LEU 59 Ca 0.45 2.12 0.03 0.00 -0.22 0.00 0.00 54.13 56.52 2elj s LEU 59 Cb 0.39 -4.42 -0.02 0.00 0.50 0.00 0.00 46.19 42.64 2elj s LEU 59 CO -0.01 -0.91 -0.09 -0.44 -1.32 0.00 0.00 176.35 173.58 2elj s SER 60 N -1.68 1.07 0.18 3.68 0.01 -1.26 -5.05 113.70 110.64 2elj s SER 60 Ca 0.67 -0.34 -0.21 0.00 1.31 0.00 0.00 55.95 57.37 2elj s SER 60 Cb -0.23 -0.06 0.10 0.00 0.21 0.00 0.00 66.02 66.05 2elj s SER 60 CO 0.27 -0.01 1.60 0.50 0.41 0.00 0.00 173.24 176.00 2elj h LYS 61 N 5.24 -0.18 -1.05 12.44 1.63 -1.98 0.20 116.57 132.87 2elj h LYS 61 Ca -0.34 0.01 0.39 0.00 -0.85 0.00 0.00 60.65 59.87 2elj h LYS 61 Cb 1.19 0.04 -0.16 0.00 -0.60 0.00 0.00 32.23 32.70 2elj h LYS 61 CO 0.45 -0.12 0.59 1.03 -3.45 0.00 0.00 179.45 177.96 2elj h SER 62 N -0.19 0.37 0.00 4.20 0.87 -2.02 0.10 113.55 116.89 2elj h SER 62 Ca 0.21 0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.97 2elj h SER 62 Cb 0.53 0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.70 2elj h SER 62 CO -0.61 -0.31 -0.10 0.00 -0.53 0.00 0.00 176.83 175.29 2elj h ALA 63 N 1.90 0.02 -0.86 6.23 0.00 -1.14 -3.36 119.26 122.05 2elj h ALA 63 Ca 0.81 -0.45 0.17 0.00 0.00 0.00 0.00 54.91 55.44 2elj h ALA 63 Cb 2.11 0.06 -0.16 0.00 0.00 0.00 0.00 17.79 19.80 2elj h ALA 63 CO -0.67 0.06 -0.23 0.00 0.00 0.00 0.00 179.25 178.41 2elj h ARG 65 N 0.00 -0.01 -0.88 0.00 2.47 -1.50 0.29 114.38 114.74 2elj h ARG 65 Ca 0.40 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 59.10 2elj h ARG 65 Cb 0.61 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.90 2elj h ARG 65 CO -0.88 -0.01 0.46 1.49 0.56 0.00 0.00 179.97 181.60 2elj h GLU 66 N -0.01 1.24 -0.97 0.04 4.57 -1.24 -2.42 114.58 115.79 2elj h GLU 66 Ca 0.05 -0.16 0.19 0.00 -1.18 0.00 0.00 59.36 58.25 2elj h GLU 66 Cb 0.13 -0.24 -0.09 0.00 -0.16 0.00 0.00 28.75 28.39 2elj h GLU 66 CO -0.27 0.92 0.61 1.25 -1.18 0.00 0.00 179.01 180.34 2elj h LEU 67 N 1.24 0.67 -7.92 1.64 5.85 0.11 -3.32 115.31 113.58 2elj h LEU 67 Ca 0.31 0.07 -0.71 0.00 0.84 0.00 0.00 57.88 58.39 2elj h LEU 67 Cb 0.06 -0.05 -0.32 0.00 0.37 0.00 0.00 40.66 40.72 2elj h LEU 67 CO -0.05 0.26 -0.49 -0.76 -0.34 0.00 0.00 178.44 177.07 2elj s LEU 68 N -9.97 5.33 0.60 2.25 1.43 0.82 -4.94 118.68 114.20 2elj s LEU 68 Ca -0.10 -1.88 0.27 0.00 -1.03 0.00 0.00 54.13 51.39 2elj s LEU 68 Cb 0.24 -1.91 1.10 0.00 0.03 0.00 0.00 46.19 45.65 2elj s LEU 68 CO 0.80 -0.58 1.49 0.78 0.23 0.00 0.00 176.35 179.07 2elj h ASN 69 N 8.24 0.00 -2.76 2.29 4.21 -1.74 -3.42 115.58 122.40 2elj h ASN 69 Ca -0.18 0.00 -0.51 0.00 1.21 0.00 0.00 56.30 56.83 2elj h ASN 69 Cb 1.06 0.00 0.23 0.00 -1.12 0.00 0.00 38.32 38.49 2elj h ASN 69 CO 0.76 0.00 -1.01 2.30 -1.29 0.00 0.00 177.43 178.19 2elj n ILE 70 N -3.37 0.00 -0.91 2.81 -5.35 -1.26 -4.90 119.36 106.37 2elj n ILE 70 Ca 0.18 -0.25 -0.33 0.00 -0.27 0.00 0.00 62.75 62.09 2elj n ILE 70 Cb 1.25 -0.51 0.14 0.00 -1.74 0.00 0.00 39.64 38.78 2elj n ILE 70 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2elj n ASP 71 N -0.63 0.24 -0.03 7.28 8.00 -1.26 -4.84 116.55 125.31 2elj n ASP 71 Ca 0.03 0.49 -0.09 0.00 0.71 0.00 0.00 54.79 55.94 2elj n ASP 71 Cb 0.58 -1.44 0.08 0.00 -0.02 0.00 0.00 41.12 40.31 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 -1.33 0.63 0.00 -0.24 0.13 -1.91 -2.30 132.00 126.98 2elj h PRO 72 Ca -0.45 -0.33 -0.03 0.00 -0.87 0.00 0.00 66.00 64.33 2elj h PRO 72 Cb 1.29 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 2elj h PRO 72 CO 0.42 0.93 -0.12 0.82 -0.23 0.00 0.00 178.00 179.82 2elj h ILE 73 N 0.51 0.26 0.19 -3.56 2.04 -2.00 -1.79 117.51 113.17 2elj h ILE 73 Ca 0.04 -1.00 -0.33 0.00 1.00 0.00 0.00 64.86 64.58 2elj h ILE 73 Cb 0.94 1.80 0.02 0.00 -0.74 0.00 0.00 36.82 38.84 2elj h ILE 73 CO 0.09 0.12 -1.54 0.11 0.00 0.00 0.00 178.15 176.93 2elj h LYS 74 N 0.00 0.40 0.02 2.37 1.79 -1.88 -3.35 116.57 115.92 2elj h LYS 74 Ca -0.00 -0.68 -0.00 0.00 -2.18 0.00 0.00 60.65 57.79 2elj h LYS 74 Cb 0.79 0.25 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 2elj h LYS 74 CO 0.02 1.30 -0.01 0.00 -1.08 0.00 0.00 179.45 179.68 2elj h ALA 75 N 0.28 -0.03 -1.92 3.86 0.00 -1.38 -2.95 119.26 117.12 2elj h ALA 75 Ca -0.26 -0.33 0.56 0.00 0.00 0.00 0.00 54.91 54.88 2elj h ALA 75 Cb 2.09 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.81 2elj h ALA 75 CO 0.21 -0.17 1.38 -2.95 0.00 0.00 0.00 179.25 177.72 2elj h ASN 76 N -0.73 0.02 0.07 0.00 -1.07 -1.49 0.77 115.58 113.14 2elj h ASN 76 Ca -0.00 0.01 -0.20 0.00 0.07 0.00 0.00 56.30 56.18 2elj h ASN 76 Cb 0.67 0.01 -0.01 0.00 -2.07 0.00 0.00 38.32 36.93 2elj h ASN 76 CO 0.01 -0.02 -1.01 -0.09 0.07 0.00 0.00 177.43 176.39 2elj h ARG 77 N 0.00 0.15 0.35 4.14 9.65 -1.69 -3.37 114.38 123.61 2elj h ARG 77 Ca 0.93 -0.26 -0.01 0.00 -1.10 0.00 0.00 59.98 59.55 2elj h ARG 77 Cb 3.69 0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 32.36 2elj h ARG 77 CO -0.05 1.12 -0.26 0.82 2.80 0.00 0.00 179.97 184.40 2elj h ILE 78 N -0.60 0.45 -0.81 1.20 2.04 0.60 -2.61 117.51 117.78 2elj h ILE 78 Ca -0.23 0.00 0.25 0.00 1.00 0.00 0.00 64.86 65.88 2elj h ILE 78 Cb 1.50 0.45 -0.15 0.00 -0.74 0.00 0.00 36.82 37.88 2elj h ILE 78 CO 0.01 0.00 0.11 0.00 0.00 0.00 0.00 178.15 178.27 2elj n TYR 79 N -5.39 0.61 0.03 1.37 4.19 0.20 0.12 117.16 118.29 2elj n TYR 79 Ca -0.10 0.97 -0.13 0.00 3.31 0.00 0.00 57.90 61.95 2elj n TYR 79 Cb 0.29 -1.17 -0.08 0.00 0.49 0.00 0.00 39.34 38.87 2elj n TYR 79 CO 0.00 0.00 0.00 0.22 0.91 0.00 0.00 176.86 177.99 2elj h ASP 80 N 0.00 -0.04 -0.72 2.98 3.58 -1.63 -3.14 116.42 117.44 2elj h ASP 80 Ca 0.53 -0.22 0.13 0.00 0.42 0.00 0.00 57.03 57.90 2elj h ASP 80 Cb 1.20 0.01 -0.13 0.00 1.72 0.00 0.00 39.33 42.12 2elj h ASP 80 CO -0.73 0.20 -0.27 0.15 -2.88 0.00 0.00 179.24 175.71 2elj h PHE 81 N -0.28 -0.68 -0.71 0.28 3.57 0.11 0.19 116.94 119.42 2elj h PHE 81 Ca -0.01 0.07 0.15 0.00 3.53 0.00 0.00 57.97 61.72 2elj h PHE 81 Cb 0.26 0.41 -0.11 0.00 2.79 0.00 0.00 35.95 39.30 2elj h PHE 81 CO 0.00 -0.36 0.11 0.74 -2.23 0.00 0.00 178.31 176.58 2elj h PHE 82 N -0.06 0.15 -0.63 0.41 -1.00 -1.37 0.22 116.94 114.67 2elj h PHE 82 Ca 0.31 0.04 0.00 0.00 2.81 0.00 0.00 57.97 61.14 2elj h PHE 82 Cb 0.56 0.04 -0.03 0.00 3.61 0.00 0.00 35.95 40.13 2elj h PHE 82 CO -0.65 -0.13 0.39 1.96 -1.61 0.00 0.00 178.31 178.28 2elj h GLN 83 N 0.21 0.84 -0.52 1.51 1.08 -0.64 -2.45 115.11 115.14 2elj h GLN 83 Ca 0.39 -0.06 0.08 0.00 -1.45 0.00 0.00 58.65 57.60 2elj h GLN 83 Cb 0.66 -0.18 -0.06 0.00 -0.05 0.00 0.00 27.48 27.85 2elj h GLN 83 CO -0.53 0.57 0.17 1.03 -0.95 0.00 0.00 178.83 179.12 2elj h SER 84 N 0.86 0.15 -0.12 1.46 0.87 0.22 0.15 113.55 117.13 2elj h SER 84 Ca 0.23 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 2elj h SER 84 Cb -0.06 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2elj h SER 84 CO -0.05 0.11 0.00 0.00 -0.53 0.00 0.00 176.83 176.36 2elj n GLN 85 N -5.02 1.72 -4.47 2.24 1.13 -0.96 -4.86 117.38 107.16 2elj n GLN 85 Ca 0.06 -0.61 -0.40 0.00 -1.94 0.00 0.00 57.00 54.11 2elj n GLN 85 Cb 0.22 -1.59 -0.07 0.00 0.11 0.00 0.00 30.24 28.90 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 0.10 -1.70 0.11 1.08 4.13 0.51 -4.81 115.26 114.68 2elj n ASN 86 Ca 0.05 -1.22 -0.23 0.00 1.68 0.00 0.00 54.58 54.87 2elj n ASN 86 Cb 0.40 -1.78 -0.15 0.00 -1.54 0.00 0.00 39.78 36.71 2elj n ASN 86 CO 0.00 0.00 0.00 -0.50 0.28 0.00 0.00 177.26 177.04 2elj h TRP 87 N -1.08 0.81 0.00 3.10 6.55 -1.67 -3.50 115.95 120.16 2elj h TRP 87 Ca -0.61 -0.59 0.00 0.00 0.95 0.00 0.00 58.89 58.64 2elj h TRP 87 Cb 1.39 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 29.66 2elj h TRP 87 CO 0.67 1.49 0.00 -1.33 -1.05 0.00 0.00 178.44 178.23