#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 6.96 -0.16 1.61 1.04 -1.26 -4.94 113.70 116.95 2elj s SER 2 Ca 0.00 2.08 -0.16 0.00 0.48 0.00 0.00 55.95 58.36 2elj s SER 2 Cb 0.00 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.50 2elj s SER 2 CO 0.00 -0.59 -0.30 -0.24 0.98 0.00 0.00 173.24 173.09 2elj n SER 3 N 4.47 1.82 0.00 7.02 2.88 -1.26 -5.07 113.62 123.48 2elj n SER 3 Ca 0.11 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 2elj n SER 3 Cb 0.45 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 2elj n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2elj n GLY 4 N 1.49 0.05 2.75 0.46 0.00 -1.26 -5.14 105.19 103.54 2elj n GLY 4 Ca -0.12 0.08 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 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 1.15 0.49 0.06 1.61 0.15 -1.26 -5.15 113.70 110.75 2elj s SER 5 Ca 0.00 0.04 0.09 0.00 0.70 0.00 0.00 55.95 56.78 2elj s SER 5 Cb 0.00 -0.13 -0.03 0.00 -1.71 0.00 0.00 66.02 64.15 2elj s SER 5 CO 0.00 -0.16 -0.26 -0.55 1.20 0.00 0.00 173.24 173.47 2elj s SER 6 N 1.42 3.11 0.00 5.45 0.15 -1.26 -5.05 113.70 117.53 2elj s SER 6 Ca -0.05 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 55.99 2elj s SER 6 Cb -0.13 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.92 2elj s SER 6 CO -0.03 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.25 2elj n GLY 7 N 1.63 -1.23 3.47 9.45 0.00 -1.26 -4.96 105.19 112.30 2elj n GLY 7 Ca -0.17 -2.23 -0.43 0.00 0.00 0.00 0.00 46.02 43.19 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 0.00 0.33 -4.69 1.61 3.02 -1.26 -4.82 115.26 109.45 2elj n ASN 8 Ca 0.00 0.22 -0.42 0.00 -0.03 0.00 0.00 54.58 54.35 2elj n ASN 8 Cb 0.00 -0.92 -0.03 0.00 -0.61 0.00 0.00 39.78 38.23 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 8.72 4.35 -0.05 3.52 -2.45 -1.26 -5.03 119.30 127.10 2elj s MET 9 Ca 1.34 1.66 0.05 0.00 -1.25 0.00 0.00 55.69 57.49 2elj s MET 9 Cb -1.28 -3.56 -0.01 0.00 1.25 0.00 0.00 34.83 31.23 2elj s MET 9 CO 0.50 -0.45 -0.20 0.95 1.05 0.00 0.00 175.02 176.87 2elj s THR 10 N 2.25 1.67 0.37 10.11 -4.23 -1.26 -5.02 115.64 119.53 2elj s THR 10 Ca 0.55 -0.85 0.15 0.00 -1.18 0.00 0.00 61.69 60.36 2elj s THR 10 Cb -0.24 -1.42 0.36 0.00 1.34 0.00 0.00 72.50 72.54 2elj s THR 10 CO 0.21 0.47 1.76 0.40 -0.54 0.00 0.00 174.62 176.93 2elj h ILE 11 N 5.12 0.54 -0.93 2.99 1.08 -1.96 -0.60 117.51 123.74 2elj h ILE 11 Ca -0.33 -0.16 0.26 0.00 -0.39 0.00 0.00 64.86 64.24 2elj h ILE 11 Cb 1.17 0.03 -0.17 0.00 -3.07 0.00 0.00 36.82 34.78 2elj h ILE 11 CO 0.48 0.09 0.09 -1.28 -0.69 0.00 0.00 178.15 176.83 2elj h SER 12 N 0.47 -0.32 0.25 1.72 0.87 -2.00 0.19 113.55 114.73 2elj h SER 12 Ca 0.61 0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 61.41 2elj h SER 12 Cb 1.40 0.41 0.00 0.00 -0.44 0.00 0.00 62.40 63.77 2elj h SER 12 CO -0.35 -0.29 -0.12 0.44 -0.53 0.00 0.00 176.83 175.98 2elj h ASP 13 N 0.06 -0.29 -0.67 6.23 5.19 -1.53 -0.31 116.42 125.11 2elj h ASP 13 Ca 0.57 -0.01 0.13 0.00 -0.62 0.00 0.00 57.03 57.10 2elj h ASP 13 Cb 1.18 0.07 -0.13 0.00 0.18 0.00 0.00 39.33 40.64 2elj h ASP 13 CO -0.82 -0.18 -0.24 0.40 -3.12 0.00 0.00 179.24 175.28 2elj h ILE 14 N -0.37 0.24 -0.25 0.35 2.04 -0.72 -0.37 117.51 118.43 2elj h ILE 14 Ca -0.03 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 2elj h ILE 14 Cb 0.28 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2elj h ILE 14 CO 0.06 0.00 0.05 1.56 0.00 0.00 0.00 178.15 179.81 2elj h GLN 15 N -0.06 0.42 -0.76 2.37 4.20 -1.25 -3.07 115.11 116.96 2elj h GLN 15 Ca 0.30 -0.11 0.17 0.00 0.06 0.00 0.00 58.65 59.07 2elj h GLN 15 Cb 0.53 -0.05 -0.13 0.00 0.30 0.00 0.00 27.48 28.13 2elj h GLN 15 CO -0.71 0.54 -0.04 1.25 -0.67 0.00 0.00 178.83 179.20 2elj h HIS 16 N 0.23 -0.12 -2.14 2.96 2.76 0.58 -3.42 115.15 115.99 2elj h HIS 16 Ca 0.08 0.06 -0.62 0.00 -2.20 0.00 0.00 60.37 57.69 2elj h HIS 16 Cb 0.32 0.17 0.13 0.00 1.55 0.00 0.00 27.41 29.59 2elj h HIS 16 CO 0.02 -0.26 -0.34 0.00 -1.30 0.00 0.00 177.93 176.04 2elj n ALA 17 N -3.01 -1.52 0.09 5.26 0.00 -0.57 -4.87 120.51 115.89 2elj n ALA 17 Ca 0.13 0.24 -0.03 0.00 0.00 0.00 0.00 53.44 53.79 2elj n ALA 17 Cb 0.46 -1.78 0.19 0.00 0.00 0.00 0.00 19.45 18.32 2elj n ALA 17 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2elj h PRO 18 N 1.04 0.25 -0.34 0.00 0.13 -1.88 -3.18 132.00 128.02 2elj h PRO 18 Ca -0.38 -0.13 -0.01 0.00 -0.87 0.00 0.00 66.00 64.60 2elj h PRO 18 Cb 1.40 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.51 2elj h PRO 18 CO 0.54 0.66 0.15 -0.44 -0.23 0.00 0.00 178.00 178.68 2elj h ASP 19 N 0.20 0.45 -0.84 1.44 5.19 -1.92 -3.05 116.42 117.89 2elj h ASP 19 Ca 0.01 -0.14 0.16 0.00 -0.62 0.00 0.00 57.03 56.44 2elj h ASP 19 Cb 0.89 -0.12 -0.15 0.00 0.18 0.00 0.00 39.33 40.14 2elj h ASP 19 CO 0.07 0.46 -0.25 0.00 -3.12 0.00 0.00 179.24 176.40 2elj n TYR 20 N -4.73 0.21 -0.24 4.55 9.36 -1.20 0.12 117.16 125.23 2elj n TYR 20 Ca -0.01 1.03 0.04 0.00 3.32 0.00 0.00 57.90 62.28 2elj n TYR 20 Cb 0.12 -0.93 0.15 0.00 -0.63 0.00 0.00 39.34 38.04 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 1.51 0.75 -0.81 2.98 0.00 -1.69 -0.32 119.26 121.68 2elj h ALA 21 Ca 0.37 0.22 0.17 0.00 0.00 0.00 0.00 54.91 55.67 2elj h ALA 21 Cb 0.58 0.38 -0.15 0.00 0.00 0.00 0.00 17.79 18.60 2elj h ALA 21 CO -0.86 -0.41 -0.15 -0.07 0.00 0.00 0.00 179.25 177.76 2elj h LEU 22 N 0.12 -0.67-10.16 0.00 3.38 0.77 -3.41 115.31 105.35 2elj h LEU 22 Ca 0.39 0.24 -0.53 0.00 0.09 0.00 0.00 57.88 58.07 2elj h LEU 22 Cb 0.67 0.47 0.20 0.00 0.09 0.00 0.00 40.66 42.09 2elj h LEU 22 CO -0.62 -0.26 0.13 0.18 0.09 0.00 0.00 178.44 177.96 2elj n LEU 23 N -5.49 3.10 0.00 1.67 4.77 -0.13 -5.03 117.00 115.88 2elj n LEU 23 Ca 0.13 0.46 -0.18 0.00 -0.03 0.00 0.00 56.01 56.39 2elj n LEU 23 Cb 0.44 -1.44 0.07 0.00 -2.33 0.00 0.00 43.42 40.16 2elj n LEU 23 CO -0.02 -2.25 0.37 -1.20 -1.33 0.00 0.00 177.39 172.96 2elj n SER 24 N -3.43 1.72 -0.00 -1.43 7.64 -1.26 -4.84 113.62 112.01 2elj n SER 24 Ca 0.12 -2.29 -0.08 0.00 1.01 0.00 0.00 58.87 57.63 2elj n SER 24 Cb 0.52 -0.43 -0.05 0.00 -1.01 0.00 0.00 64.21 63.23 2elj n SER 24 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 2elj h ASN 25 N -0.06 -0.94 -0.13 6.43 2.35 -1.96 0.95 115.58 122.22 2elj h ASN 25 Ca -0.25 0.11 0.04 0.00 -0.55 0.00 0.00 56.30 55.64 2elj h ASN 25 Cb 1.11 0.36 -0.07 0.00 0.05 0.00 0.00 38.32 39.78 2elj h ASN 25 CO 0.34 -0.27 -0.49 0.44 -1.65 0.00 0.00 177.43 175.80 2elj h ASP 26 N -0.32 -1.54 -0.71 5.81 5.19 -2.01 -1.71 116.42 121.13 2elj h ASP 26 Ca 0.02 0.19 0.14 0.00 -0.62 0.00 0.00 57.03 56.75 2elj h ASP 26 Cb 0.37 0.61 -0.13 0.00 0.18 0.00 0.00 39.33 40.36 2elj h ASP 26 CO -0.23 -0.46 -0.25 -0.33 -3.12 0.00 0.00 179.24 174.85 2elj h GLU 27 N -0.55 -0.05 -0.04 3.56 4.39 -1.87 -1.23 114.58 118.79 2elj h GLU 27 Ca 0.05 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.79 2elj h GLU 27 Cb 0.66 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.27 2elj h GLU 27 CO -0.42 -0.03 -0.47 1.96 -1.16 0.00 0.00 179.01 178.88 2elj h GLN 28 N -0.05 -0.57 -0.68 2.33 4.20 0.06 -2.58 115.11 117.82 2elj h GLN 28 Ca 0.32 0.04 0.06 0.00 0.06 0.00 0.00 58.65 59.13 2elj h GLN 28 Cb 0.55 0.13 -0.08 0.00 0.30 0.00 0.00 27.48 28.38 2elj h GLN 28 CO -0.76 -0.38 -0.40 1.04 -0.67 0.00 0.00 178.83 177.66 2elj n GLN 29 N -5.45 -0.30 -0.13 1.46 1.13 -0.48 -1.19 117.38 112.42 2elj n GLN 29 Ca -0.06 1.26 -0.10 0.00 -1.94 0.00 0.00 57.00 56.16 2elj n GLN 29 Cb 0.38 -1.86 -0.08 0.00 0.11 0.00 0.00 30.24 28.80 2elj n GLN 29 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2elj h LEU 30 N 0.00 -1.46 -0.97 1.08 5.85 -1.28 0.12 115.31 118.65 2elj h LEU 30 Ca 0.11 0.20 0.31 0.00 0.84 0.00 0.00 57.88 59.34 2elj h LEU 30 Cb 0.28 0.60 -0.17 0.00 0.37 0.00 0.00 40.66 41.75 2elj h LEU 30 CO -0.64 -0.30 0.31 0.00 -0.34 0.00 0.00 178.44 177.48 2elj h ILE 32 N 0.10 0.00 -0.95 0.00 2.04 0.40 2.07 117.51 121.17 2elj h ILE 32 Ca 0.68 -0.12 0.26 0.00 1.00 0.00 0.00 64.86 66.68 2elj h ILE 32 Cb 1.57 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.51 2elj h ILE 32 CO -0.76 0.00 0.46 0.06 0.00 0.00 0.00 178.15 177.91 2elj h GLN 33 N -0.75 0.37 -0.00 2.37 3.07 0.01 1.02 115.11 121.19 2elj h GLN 33 Ca -0.06 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.65 2elj h GLN 33 Cb 0.48 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 27.96 2elj h GLN 33 CO 0.11 0.24 -0.45 1.28 0.09 0.00 0.00 178.83 180.10 2elj n LEU 34 N -5.05 0.55 -3.53 0.06 4.77 0.38 -4.95 117.00 109.23 2elj n LEU 34 Ca 0.26 -0.02 -0.26 0.00 -0.03 0.00 0.00 56.01 55.96 2elj n LEU 34 Cb 0.78 -0.24 0.04 0.00 -2.33 0.00 0.00 43.42 41.67 2elj n LEU 34 CO 0.11 0.13 0.10 0.29 -1.33 0.00 0.00 177.39 176.69 2elj n LYS 35 N -1.38 -5.73 -3.84 3.23 4.01 0.64 -4.97 118.16 110.13 2elj n LYS 35 Ca 0.07 0.72 -0.34 0.00 -0.51 0.00 0.00 58.31 58.25 2elj n LYS 35 Cb 0.34 -5.63 -0.05 0.00 -0.51 0.00 0.00 35.03 29.18 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 -3.22 5.37 0.60 -0.18 1.01 0.19 -4.98 121.20 120.00 2elj s ILE 36 Ca 0.52 -0.04 -0.13 0.00 0.00 0.00 0.00 60.65 61.00 2elj s ILE 36 Cb -0.25 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 2elj s ILE 36 CO 0.64 0.32 1.03 -0.76 0.00 0.00 0.00 174.94 176.17 2elj s LEU 37 N -1.93 3.38 0.00 2.97 1.43 -1.26 -4.65 118.68 118.62 2elj s LEU 37 Ca 0.28 1.57 -0.24 0.00 -1.03 0.00 0.00 54.13 54.72 2elj s LEU 37 Cb -0.13 -4.50 -0.18 0.00 0.03 0.00 0.00 46.19 41.42 2elj s LEU 37 CO 0.18 -0.95 1.30 1.55 0.23 0.00 0.00 176.35 178.66 2elj h PRO 38 N 0.11 0.14 -0.79 1.29 0.13 -1.95 -1.25 132.00 129.69 2elj h PRO 38 Ca -0.45 -0.08 0.07 0.00 -0.87 0.00 0.00 66.00 64.68 2elj h PRO 38 Cb 1.20 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.22 2elj h PRO 38 CO 0.60 0.59 -0.58 -0.22 -0.23 0.00 0.00 178.00 178.17 2elj h LYS 39 N -0.30 -0.14 -0.12 0.86 1.63 -1.94 0.68 116.57 117.24 2elj h LYS 39 Ca 0.01 0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.77 2elj h LYS 39 Cb 0.57 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.22 2elj h LYS 39 CO 0.01 -0.09 -0.12 -1.00 -3.45 0.00 0.00 179.45 174.81 2elj h PRO 40 N -0.14 0.29 -0.19 1.90 0.13 -1.98 -1.89 132.00 130.12 2elj h PRO 40 Ca 0.13 -0.15 0.06 0.00 -0.87 0.00 0.00 66.00 65.16 2elj h PRO 40 Cb 0.47 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 2elj h PRO 40 CO -0.81 0.69 0.22 -0.92 -0.23 0.00 0.00 178.00 176.95 2elj h TYR 41 N -0.10 0.00 0.13 1.56 5.03 -0.57 0.09 116.97 123.11 2elj h TYR 41 Ca 0.02 0.00 -0.29 0.00 2.58 0.00 0.00 58.73 61.04 2elj h TYR 41 Cb 0.64 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.92 2elj h TYR 41 CO 0.09 0.00 -1.51 -0.07 -1.32 0.00 0.00 178.16 175.35 2elj h LEU 42 N 0.00 0.41 0.42 2.82 3.38 0.47 -3.10 115.31 119.71 2elj h LEU 42 Ca 0.09 -0.87 -0.02 0.00 0.09 0.00 0.00 57.88 57.17 2elj h LEU 42 Cb 0.53 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2elj h LEU 42 CO -0.00 1.66 -0.20 0.58 0.09 0.00 0.00 178.44 180.57 2elj h VAL 43 N -0.23 0.59 -0.39 1.22 2.07 -0.47 -2.83 116.25 116.21 2elj h VAL 43 Ca -0.32 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2elj h VAL 43 Cb 1.83 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 2elj h VAL 43 CO 0.07 0.04 0.26 0.17 0.02 0.00 0.00 177.57 178.13 2elj h LEU 44 N -0.68 0.45 -1.65 2.57 8.10 -1.21 -1.49 115.31 121.41 2elj h LEU 44 Ca -0.06 -0.01 0.04 0.00 0.11 0.00 0.00 57.88 57.96 2elj h LEU 44 Cb 0.49 -0.11 -0.02 0.00 -0.44 0.00 0.00 40.66 40.58 2elj h LEU 44 CO 0.09 0.33 0.30 0.50 -4.11 0.00 0.00 178.44 175.55 2elj h LYS 45 N 0.53 0.44 -0.54 0.17 3.64 -1.43 -1.61 116.57 117.78 2elj h LYS 45 Ca 0.14 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.40 2elj h LYS 45 Cb -0.06 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 2elj h LYS 45 CO -0.03 0.29 -0.06 1.49 -2.27 0.00 0.00 179.45 178.87 2elj h GLU 46 N 0.46 0.97 0.57 1.90 4.81 -1.04 -3.19 114.58 119.05 2elj h GLU 46 Ca 0.19 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 2elj h GLU 46 Cb 0.17 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2elj h GLU 46 CO -0.05 0.99 -0.49 0.28 -0.73 0.00 0.00 179.01 179.01 2elj h VAL 47 N 0.88 0.00 -1.00 0.32 2.07 -1.29 -0.70 116.25 116.53 2elj h VAL 47 Ca 0.15 0.00 0.35 0.00 0.82 0.00 0.00 66.70 68.02 2elj h VAL 47 Cb 0.60 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.21 2elj h VAL 47 CO 0.04 0.00 0.53 0.24 0.02 0.00 0.00 177.57 178.40 2elj h MET 48 N -1.04 0.19 0.43 1.57 2.86 -1.56 -0.50 114.93 116.89 2elj h MET 48 Ca -0.07 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 2elj h MET 48 Cb 0.88 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.50 2elj h MET 48 CO -0.02 0.13 -0.21 0.74 1.06 0.00 0.00 176.91 178.61 2elj h PHE 49 N 0.20 -0.54 -1.16 -0.22 0.04 -1.39 -0.55 116.94 113.32 2elj h PHE 49 Ca 0.76 -0.01 0.39 0.00 2.80 0.00 0.00 57.97 61.92 2elj h PHE 49 Cb 1.84 0.18 -0.14 0.00 2.20 0.00 0.00 35.95 40.03 2elj h PHE 49 CO -0.03 -0.33 0.71 -0.09 -0.60 0.00 0.00 178.31 177.96 2elj h ARG 50 N -0.88 0.14 0.04 1.51 2.43 0.05 1.25 114.38 118.93 2elj h ARG 50 Ca -0.06 -0.01 -0.23 0.00 -0.81 0.00 0.00 59.98 58.87 2elj h ARG 50 Cb 0.44 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2elj h ARG 50 CO 0.10 0.09 -1.02 1.49 -1.51 0.00 0.00 179.97 179.12 2elj h GLU 51 N 0.15 0.29 -0.32 0.20 4.57 -1.12 -0.73 114.58 117.61 2elj h GLU 51 Ca 0.79 -0.37 -0.08 0.00 -1.18 0.00 0.00 59.36 58.53 2elj h GLU 51 Cb 2.22 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 30.92 2elj h GLU 51 CO -0.53 1.09 -0.10 -0.07 -1.18 0.00 0.00 179.01 178.22 2elj h LEU 52 N 0.14 0.65 -0.11 1.64 3.38 0.31 -1.27 115.31 120.05 2elj h LEU 52 Ca -0.08 -0.38 -0.22 0.00 0.09 0.00 0.00 57.88 57.29 2elj h LEU 52 Cb 1.69 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 2elj h LEU 52 CO 0.17 0.88 -1.00 0.17 0.09 0.00 0.00 178.44 178.75 2elj h LEU 53 N 0.42 0.24 -0.02 1.67 8.10 -0.76 0.30 115.31 125.26 2elj h LEU 53 Ca 0.08 -0.22 -0.00 0.00 0.11 0.00 0.00 57.88 57.84 2elj h LEU 53 Cb 0.61 -0.08 -0.00 0.00 -0.44 0.00 0.00 40.66 40.76 2elj h LEU 53 CO 0.04 1.10 0.00 0.50 -4.11 0.00 0.00 178.44 175.97 2elj h LYS 54 N 0.07 0.04 0.00 0.17 3.64 -1.09 -3.23 116.57 116.18 2elj h LYS 54 Ca -0.06 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.09 2elj h LYS 54 Cb 1.69 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.47 2elj h LYS 54 CO 0.15 0.30 -1.20 1.79 -2.27 0.00 0.00 179.45 178.22 2elj h THR 55 N -0.23 1.21 0.00 1.00 1.35 -1.32 -3.48 112.91 111.44 2elj h THR 55 Ca 0.01 -2.90 0.00 0.00 -0.55 0.00 0.00 66.41 62.97 2elj h THR 55 Cb 0.28 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 2elj h THR 55 CO 0.00 0.69 0.00 0.61 -0.25 0.00 0.00 175.52 176.57 2elj n GLY 56 N 1.40 2.21 0.00 5.82 0.00 0.99 -4.67 105.19 110.94 2elj n GLY 56 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.45 0.00 2.47 -0.02 0.00 -0.74 -4.80 105.19 101.65 2elj n GLY 57 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 5.71 -4.81 1.61 2.85 -1.26 -5.02 115.26 114.33 2elj n ASN 58 Ca 0.00 -3.76 -0.32 0.00 -0.11 0.00 0.00 54.58 50.39 2elj n ASN 58 Cb 0.00 -0.63 -0.06 0.00 1.24 0.00 0.00 39.78 40.33 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 -3.71 3.97 0.13 1.20 2.96 -1.26 -5.06 118.68 116.91 2elj s LEU 59 Ca 0.51 0.14 -0.02 0.00 -0.22 0.00 0.00 54.13 54.55 2elj s LEU 59 Cb 0.42 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 2elj s LEU 59 CO -0.18 0.24 0.08 -0.55 -1.32 0.00 0.00 176.35 174.62 2elj s SER 60 N -1.98 0.28 0.54 3.68 0.15 -1.26 -5.01 113.70 110.10 2elj s SER 60 Ca 0.26 -1.18 0.21 0.00 0.70 0.00 0.00 55.95 55.94 2elj s SER 60 Cb -0.12 0.31 1.47 0.00 -1.71 0.00 0.00 66.02 65.97 2elj s SER 60 CO 0.18 -0.75 2.19 0.11 1.20 0.00 0.00 173.24 176.17 2elj h LYS 61 N 2.83 0.00 0.00 5.44 1.79 -1.99 0.18 116.57 124.82 2elj h LYS 61 Ca -0.35 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.12 2elj h LYS 61 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 2elj h LYS 61 CO 0.58 0.00 -0.01 0.77 -1.08 0.00 0.00 179.45 179.71 2elj h SER 62 N 0.00 0.01 -0.19 0.86 0.02 -2.00 -3.24 113.55 109.00 2elj h SER 62 Ca 0.00 -0.82 -0.02 0.00 -0.84 0.00 0.00 61.79 60.11 2elj h SER 62 Cb 0.00 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2elj h SER 62 CO -0.00 0.82 0.03 0.00 -1.14 0.00 0.00 176.83 176.55 2elj h ALA 63 N 0.18 0.25 -0.88 3.77 0.00 -1.88 -3.03 119.26 117.67 2elj h ALA 63 Ca -0.00 -0.17 0.24 0.00 0.00 0.00 0.00 54.91 54.98 2elj h ALA 63 Cb 0.82 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.40 2elj h ALA 63 CO 0.00 -0.08 0.22 0.00 0.00 0.00 0.00 179.25 179.39 2elj h ARG 65 N 0.19 -0.06 -0.16 0.00 3.08 -1.55 -0.03 114.38 115.84 2elj h ARG 65 Ca 0.55 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.46 2elj h ARG 65 Cb 1.12 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2elj h ARG 65 CO -0.67 -0.04 -0.49 1.49 -1.07 0.00 0.00 179.97 179.19 2elj h GLU 66 N -0.06 0.62 -0.51 0.04 4.57 -0.90 -3.27 114.58 115.06 2elj h GLU 66 Ca 0.24 -0.45 0.10 0.00 -1.18 0.00 0.00 59.36 58.07 2elj h GLU 66 Cb 0.43 0.07 -0.10 0.00 -0.16 0.00 0.00 28.75 28.99 2elj h GLU 66 CO -0.55 1.07 -0.16 1.25 -1.18 0.00 0.00 179.01 179.44 2elj h LEU 67 N 0.28 -0.58 -9.75 1.64 5.85 0.06 -3.40 115.31 109.42 2elj h LEU 67 Ca -0.01 0.17 -0.59 0.00 0.84 0.00 0.00 57.88 58.28 2elj h LEU 67 Cb 1.11 0.36 -0.05 0.00 0.37 0.00 0.00 40.66 42.45 2elj h LEU 67 CO 0.10 -0.20 -0.16 -0.76 -0.34 0.00 0.00 178.44 177.09 2elj s LEU 68 N -10.74 4.43 -0.17 2.25 1.43 -0.10 -4.97 118.68 110.81 2elj s LEU 68 Ca -0.14 1.00 -0.01 0.00 -1.03 0.00 0.00 54.13 53.95 2elj s LEU 68 Cb 0.17 -2.87 0.10 0.00 0.03 0.00 0.00 46.19 43.62 2elj s LEU 68 CO 0.72 0.24 2.05 -3.20 0.23 0.00 0.00 176.35 176.39 2elj n ASN 69 N 1.38 5.93 -4.55 2.29 2.85 -1.26 -4.80 115.26 117.10 2elj n ASN 69 Ca -0.10 -2.75 -0.25 0.00 -0.11 0.00 0.00 54.58 51.36 2elj n ASN 69 Cb 0.52 -1.10 -0.11 0.00 1.24 0.00 0.00 39.78 40.33 2elj n ASN 69 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 2elj s ILE 70 N -1.16 1.79 0.86 -1.44 -4.36 -1.26 -5.12 121.20 110.51 2elj s ILE 70 Ca 0.18 -2.04 -0.14 0.00 -0.26 0.00 0.00 60.65 58.38 2elj s ILE 70 Cb 0.13 -2.84 0.02 0.00 1.25 0.00 0.00 42.46 41.02 2elj s ILE 70 CO -0.01 -0.06 0.52 0.47 0.24 0.00 0.00 174.94 176.11 2elj n ASP 71 N -0.83 -1.50 -0.03 4.36 8.00 -1.26 -4.83 116.55 120.46 2elj n ASP 71 Ca -0.04 0.44 -0.13 0.00 0.71 0.00 0.00 54.79 55.76 2elj n ASP 71 Cb 0.66 -1.24 -0.09 0.00 -0.02 0.00 0.00 41.12 40.43 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 -1.12 0.13 -0.94 -0.24 0.13 -1.96 -2.58 132.00 125.42 2elj h PRO 72 Ca -0.44 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 2elj h PRO 72 Cb 1.30 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.39 2elj h PRO 72 CO 0.38 0.58 0.56 0.82 -0.23 0.00 0.00 178.00 180.11 2elj h ILE 73 N -0.31 1.26 -0.46 -3.56 5.03 -2.00 -2.63 117.51 114.84 2elj h ILE 73 Ca 0.01 -0.58 -0.02 0.00 -0.12 0.00 0.00 64.86 64.15 2elj h ILE 73 Cb 0.55 -0.06 -0.02 0.00 -3.03 0.00 0.00 36.82 34.27 2elj h ILE 73 CO 0.01 0.28 0.21 0.11 -0.68 0.00 0.00 178.15 178.08 2elj h LYS 74 N 1.30 0.66 -0.95 2.37 1.79 -1.93 -2.66 116.57 117.16 2elj h LYS 74 Ca 0.34 -0.10 0.12 0.00 -2.18 0.00 0.00 60.65 58.82 2elj h LYS 74 Cb -0.04 -0.12 -0.08 0.00 -1.58 0.00 0.00 32.23 30.42 2elj h LYS 74 CO -0.06 0.57 0.61 0.00 -1.08 0.00 0.00 179.45 179.49 2elj h ALA 75 N 1.05 1.62 -0.94 3.86 0.00 -1.10 -0.77 119.26 122.98 2elj h ALA 75 Ca 0.16 0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.22 2elj h ALA 75 Cb 0.14 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.66 2elj h ALA 75 CO -0.02 0.16 0.60 -0.91 0.00 0.00 0.00 179.25 179.08 2elj h ASN 76 N 0.91 0.76 0.46 0.00 -0.26 -1.22 0.04 115.58 116.26 2elj h ASN 76 Ca 0.46 0.05 -0.02 0.00 -0.56 0.00 0.00 56.30 56.23 2elj h ASN 76 Cb 0.51 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 2elj h ASN 76 CO -0.23 0.38 -0.22 0.03 -1.06 0.00 0.00 177.43 176.34 2elj h ARG 77 N 0.80 -0.59 -0.38 0.81 -0.00 -1.17 -2.81 114.38 111.04 2elj h ARG 77 Ca 0.48 0.04 0.08 0.00 -0.50 0.00 0.00 59.98 60.08 2elj h ARG 77 Cb 0.66 0.13 -0.08 0.00 0.00 0.00 0.00 29.97 30.69 2elj h ARG 77 CO -0.24 -0.29 -0.13 0.82 0.00 0.00 0.00 179.97 180.13 2elj h ILE 78 N -0.99 0.56 -0.28 2.04 2.04 -1.26 -1.43 117.51 118.18 2elj h ILE 78 Ca -0.06 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.86 2elj h ILE 78 Cb 0.57 0.56 -0.08 0.00 -0.74 0.00 0.00 36.82 37.13 2elj h ILE 78 CO 0.10 0.00 -0.39 0.22 0.00 0.00 0.00 178.15 178.08 2elj h TYR 79 N -0.04 -1.11 -0.40 1.37 5.03 -1.05 -0.79 116.97 119.97 2elj h TYR 79 Ca 0.19 0.06 0.07 0.00 2.58 0.00 0.00 58.73 61.62 2elj h TYR 79 Cb 0.33 0.53 -0.06 0.00 1.55 0.00 0.00 36.73 39.07 2elj h TYR 79 CO -0.37 -0.43 0.01 0.22 -1.32 0.00 0.00 178.16 176.27 2elj h ASP 80 N -0.37 -0.15 -0.56 -2.11 3.58 -1.15 -1.92 116.42 113.74 2elj h ASP 80 Ca 0.12 0.09 0.11 0.00 0.42 0.00 0.00 57.03 57.77 2elj h ASP 80 Cb 0.58 0.16 -0.08 0.00 1.72 0.00 0.00 39.33 41.71 2elj h ASP 80 CO -0.48 -0.04 0.08 0.15 -2.88 0.00 0.00 179.24 176.07 2elj h PHE 81 N 0.12 0.11 -0.97 0.28 3.04 -0.22 -0.23 116.94 119.06 2elj h PHE 81 Ca 0.20 0.04 0.17 0.00 3.98 0.00 0.00 57.97 62.35 2elj h PHE 81 Cb 0.28 0.04 -0.10 0.00 2.56 0.00 0.00 35.95 38.72 2elj h PHE 81 CO -0.26 -0.06 0.58 0.74 -2.02 0.00 0.00 178.31 177.28 2elj h PHE 82 N 0.20 1.02 0.00 0.41 -1.00 -0.38 0.36 116.94 117.55 2elj h PHE 82 Ca 0.29 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 61.07 2elj h PHE 82 Cb 0.43 -0.30 -0.00 0.00 3.61 0.00 0.00 35.95 39.69 2elj h PHE 82 CO -0.27 0.26 -0.15 1.96 -1.61 0.00 0.00 178.31 178.50 2elj h GLN 83 N 0.77 0.00 -0.16 1.51 1.08 -0.83 -2.87 115.11 114.61 2elj h GLN 83 Ca 0.54 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.79 2elj h GLN 83 Cb 0.79 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.15 2elj h GLN 83 CO -0.36 0.15 -0.34 0.77 -0.95 0.00 0.00 178.83 178.09 2elj h SER 84 N 0.00 -1.07 -0.22 1.46 0.02 0.01 0.11 113.55 113.85 2elj h SER 84 Ca -0.00 0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 61.01 2elj h SER 84 Cb 0.33 0.46 -0.06 0.00 0.14 0.00 0.00 62.40 63.27 2elj h SER 84 CO 0.02 -0.37 0.12 0.00 -1.14 0.00 0.00 176.83 175.46 2elj n GLN 85 N -5.42 1.47 -2.46 3.45 6.02 -1.16 -4.82 117.38 114.47 2elj n GLN 85 Ca -0.03 -0.75 -0.00 0.00 -0.01 0.00 0.00 57.00 56.21 2elj n GLN 85 Cb 0.34 -1.39 -0.00 0.00 1.02 0.00 0.00 30.24 30.21 2elj n GLN 85 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2elj n ASN 86 N 0.11 -0.99 -0.17 1.08 3.02 0.37 -4.73 115.26 113.96 2elj n ASN 86 Ca 0.13 0.48 0.03 0.00 -0.03 0.00 0.00 54.58 55.19 2elj n ASN 86 Cb 0.72 -1.00 0.30 0.00 -0.61 0.00 0.00 39.78 39.20 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 0.00 0.83 -0.01 3.10 6.55 -1.72 -3.49 115.95 121.21 2elj h TRP 87 Ca -0.00 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.86 2elj h TRP 87 Cb 0.97 -0.28 0.00 0.00 -0.86 0.00 0.00 29.16 28.99 2elj h TRP 87 CO 0.87 0.50 0.00 0.00 -1.05 0.00 0.00 178.44 178.76