#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 0.71 -4.74 1.61 7.64 -1.26 -5.05 113.62 112.53 2elj n SER 2 Ca 0.00 0.20 -0.42 0.00 1.01 0.00 0.00 58.87 59.67 2elj n SER 2 Cb 0.00 -0.14 -0.02 0.00 -1.01 0.00 0.00 64.21 63.04 2elj n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2elj s SER 3 N -5.67 6.45 0.00 6.43 0.01 -1.26 -4.44 113.70 115.21 2elj s SER 3 Ca 0.00 2.85 0.00 0.00 1.31 0.00 0.00 55.95 60.11 2elj s SER 3 Cb 0.00 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.61 2elj s SER 3 CO 0.00 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.38 2elj n GLY 4 N 2.63 -0.02 0.29 3.44 0.00 -1.26 -5.01 105.19 105.26 2elj n GLY 4 Ca 0.10 0.21 -0.12 0.00 0.00 0.00 0.00 46.02 46.21 2elj n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2elj h SER 5 N 0.00 -0.57 -4.66 1.61 0.87 -2.03 -3.47 113.55 105.30 2elj h SER 5 Ca 0.00 -0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.46 2elj h SER 5 Cb 0.00 0.15 -0.20 0.00 -0.44 0.00 0.00 62.40 61.91 2elj h SER 5 CO 0.00 -0.16 0.08 -0.44 -0.53 0.00 0.00 176.83 175.78 2elj s SER 6 N -4.79 -0.60 0.00 6.23 0.01 -1.26 -5.17 113.70 108.11 2elj s SER 6 Ca -0.12 0.83 0.00 0.00 1.31 0.00 0.00 55.95 57.97 2elj s SER 6 Cb 0.01 0.77 0.00 0.00 0.21 0.00 0.00 66.02 67.01 2elj s SER 6 CO 0.38 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 174.18 2elj n GLY 7 N 1.55 2.80 3.77 3.44 0.00 -1.26 -4.95 105.19 110.54 2elj n GLY 7 Ca -0.18 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 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 2.00 6.78 -0.18 1.61 2.47 -1.26 -5.02 114.94 121.33 2elj s ASN 8 Ca 0.00 2.67 -0.04 0.00 0.42 0.00 0.00 52.86 55.90 2elj s ASN 8 Cb 0.00 -2.65 0.06 0.00 -1.45 0.00 0.00 41.25 37.22 2elj s ASN 8 CO 0.00 -0.54 0.08 -0.32 -3.72 0.00 0.00 177.10 172.60 2elj s MET 9 N -1.62 0.20 0.23 0.43 -2.45 -1.26 -5.13 119.30 109.70 2elj s MET 9 Ca 0.50 -0.19 -0.30 0.00 -1.25 0.00 0.00 55.69 54.45 2elj s MET 9 Cb -0.40 -1.85 -0.09 0.00 1.25 0.00 0.00 34.83 33.75 2elj s MET 9 CO 0.51 -0.69 1.18 0.95 1.05 0.00 0.00 175.02 178.02 2elj s THR 10 N 2.07 3.44 0.30 10.11 -4.23 -1.26 -4.92 115.64 121.16 2elj s THR 10 Ca 0.02 1.32 0.05 0.00 -1.18 0.00 0.00 61.69 61.90 2elj s THR 10 Cb -0.16 -3.84 0.30 0.00 1.34 0.00 0.00 72.50 70.14 2elj s THR 10 CO -0.11 0.26 1.69 0.40 -0.54 0.00 0.00 174.62 176.32 2elj h ILE 11 N 3.44 0.44 -1.38 2.99 5.03 -1.95 0.26 117.51 126.34 2elj h ILE 11 Ca -0.46 -0.13 0.42 0.00 -0.12 0.00 0.00 64.86 64.57 2elj h ILE 11 Cb 1.21 0.02 -0.10 0.00 -3.03 0.00 0.00 36.82 34.93 2elj h ILE 11 CO 0.71 0.07 0.93 0.77 -0.68 0.00 0.00 178.15 179.95 2elj h SER 12 N 0.38 0.18 -0.97 1.72 4.64 -1.98 0.86 113.55 118.38 2elj h SER 12 Ca 0.59 0.08 0.04 0.00 -0.47 0.00 0.00 61.79 62.03 2elj h SER 12 Cb 1.16 0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 63.25 2elj h SER 12 CO -0.55 -0.07 0.63 -0.78 -0.87 0.00 0.00 176.83 175.19 2elj h ASP 13 N 0.10 1.04 0.74 4.97 1.82 -0.86 -0.28 116.42 123.95 2elj h ASP 13 Ca 0.76 -0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 57.37 2elj h ASP 13 Cb 2.59 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 42.36 2elj h ASP 13 CO -0.25 0.70 -0.14 0.40 -1.61 0.00 0.00 179.24 178.35 2elj h ILE 14 N 1.21 0.42 -0.05 2.25 2.04 0.62 -2.04 117.51 121.95 2elj h ILE 14 Ca 0.40 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2elj h ILE 14 Cb 0.04 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2elj h ILE 14 CO -0.14 0.14 0.00 0.00 0.00 0.00 0.00 178.15 178.15 2elj n GLN 15 N -3.38 1.95 -0.38 2.37 6.02 -0.22 -3.93 117.38 119.81 2elj n GLN 15 Ca -0.00 -1.39 0.07 0.00 -0.01 0.00 0.00 57.00 55.66 2elj n GLN 15 Cb 0.33 -1.47 0.19 0.00 1.02 0.00 0.00 30.24 30.31 2elj n GLN 15 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2elj n HIS 16 N 0.68 0.29 -3.55 1.08 -0.00 -0.59 -5.03 115.22 108.10 2elj n HIS 16 Ca 0.17 -1.21 -0.35 0.00 0.46 0.00 0.00 57.72 56.79 2elj n HIS 16 Cb 0.45 -0.25 -0.06 0.00 -0.12 0.00 0.00 29.99 30.02 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 -3.03 3.71 0.28 1.57 0.00 -1.20 -4.99 121.76 118.10 2elj s ALA 17 Ca 0.37 -0.34 0.16 0.00 0.00 0.00 0.00 51.96 52.15 2elj s ALA 17 Cb 0.33 -2.30 0.73 0.00 0.00 0.00 0.00 23.12 21.88 2elj s ALA 17 CO 0.01 0.55 1.79 -1.00 0.00 0.00 0.00 175.76 177.10 2elj h PRO 18 N 3.81 0.00 -0.55 0.00 0.13 -1.95 -2.77 132.00 130.68 2elj h PRO 18 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2elj h PRO 18 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2elj h PRO 18 CO 0.66 0.38 0.00 -0.40 -0.23 0.00 0.00 178.00 178.41 2elj n ASP 19 N -3.78 4.89 0.09 1.44 5.75 -1.26 -4.56 116.55 119.13 2elj n ASP 19 Ca -0.01 -2.68 -0.05 0.00 -0.01 0.00 0.00 54.79 52.04 2elj n ASP 19 Cb 0.46 -0.59 -0.02 0.00 -1.03 0.00 0.00 41.12 39.93 2elj n ASP 19 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 2elj h TYR 20 N 3.62 -0.28 -0.91 2.11 3.20 -1.81 -3.33 116.97 119.57 2elj h TYR 20 Ca 0.00 -0.01 0.23 0.00 3.14 0.00 0.00 58.73 62.09 2elj h TYR 20 Cb 1.60 0.09 -0.17 0.00 1.54 0.00 0.00 36.73 39.80 2elj h TYR 20 CO 0.82 -0.18 -0.06 0.00 -1.64 0.00 0.00 178.16 177.10 2elj n ALA 21 N -2.61 0.39 -0.34 1.82 0.00 -1.26 -0.56 120.51 117.95 2elj n ALA 21 Ca -0.04 0.98 -0.07 0.00 0.00 0.00 0.00 53.44 54.32 2elj n ALA 21 Cb 0.12 -0.68 -0.05 0.00 0.00 0.00 0.00 19.45 18.85 2elj n ALA 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2elj n LEU 22 N -5.37 -0.77 -4.19 0.00 4.77 -1.25 -4.50 117.00 105.69 2elj n LEU 22 Ca 0.19 1.45 -0.35 0.00 -0.03 0.00 0.00 56.01 57.27 2elj n LEU 22 Cb 0.62 -0.23 0.07 0.00 -2.33 0.00 0.00 43.42 41.55 2elj n LEU 22 CO -0.08 -1.22 -0.78 0.18 -1.33 0.00 0.00 177.39 174.16 2elj n LEU 23 N -5.08 -3.48 0.00 2.23 4.77 0.28 -4.99 117.00 110.73 2elj n LEU 23 Ca 0.04 0.28 -0.14 0.00 -0.03 0.00 0.00 56.01 56.16 2elj n LEU 23 Cb 0.25 -0.95 0.08 0.00 -2.33 0.00 0.00 43.42 40.47 2elj n LEU 23 CO -0.13 -4.97 0.37 -1.20 -1.33 0.00 0.00 177.39 170.14 2elj n SER 24 N 1.55 0.59 0.24 -1.43 7.64 -1.26 -4.85 113.62 116.10 2elj n SER 24 Ca 0.02 -1.56 -0.15 0.00 1.01 0.00 0.00 58.87 58.20 2elj n SER 24 Cb 0.54 -0.43 -0.08 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 -0.52 -0.51 -0.43 6.43 2.35 -1.94 -0.80 115.58 120.17 2elj h ASN 25 Ca -0.21 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.46 2elj h ASN 25 Cb 0.70 0.13 -0.02 0.00 0.05 0.00 0.00 38.32 39.18 2elj h ASN 25 CO 0.20 -0.21 0.23 0.44 -1.65 0.00 0.00 177.43 176.43 2elj h ASP 26 N -0.80 0.54 -0.68 5.81 5.19 -2.01 -2.60 116.42 121.87 2elj h ASP 26 Ca -0.06 -0.10 0.06 0.00 -0.62 0.00 0.00 57.03 56.31 2elj h ASP 26 Cb 0.55 -0.14 -0.05 0.00 0.18 0.00 0.00 39.33 39.87 2elj h ASP 26 CO 0.10 0.49 0.39 -0.33 -3.12 0.00 0.00 179.24 176.77 2elj h GLU 27 N 0.56 0.70 0.04 3.56 5.08 -1.94 -2.61 114.58 119.97 2elj h GLU 27 Ca 0.15 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2elj h GLU 27 Cb 0.07 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2elj h GLU 27 CO -0.02 0.46 -0.13 1.96 -1.00 0.00 0.00 179.01 180.28 2elj h GLN 28 N 0.72 -0.23 -0.73 2.33 4.20 -0.85 -2.82 115.11 117.73 2elj h GLN 28 Ca 0.30 0.02 0.10 0.00 0.06 0.00 0.00 58.65 59.13 2elj h GLN 28 Cb 0.17 0.05 -0.12 0.00 0.30 0.00 0.00 27.48 27.88 2elj h GLN 28 CO -0.17 -0.15 -0.44 1.96 -0.67 0.00 0.00 178.83 179.36 2elj h GLN 29 N -0.23 -0.14 -0.02 1.46 1.08 -1.09 -1.79 115.11 114.37 2elj h GLN 29 Ca 0.03 0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.26 2elj h GLN 29 Cb 0.27 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.69 2elj h GLN 29 CO -0.10 -0.09 -0.36 1.25 -0.95 0.00 0.00 178.83 178.58 2elj h LEU 30 N -0.14 -1.13 -0.88 1.46 5.85 -1.39 -1.04 115.31 118.04 2elj h LEU 30 Ca 0.22 0.13 0.10 0.00 0.84 0.00 0.00 57.88 59.17 2elj h LEU 30 Cb 0.55 0.43 -0.12 0.00 0.37 0.00 0.00 40.66 41.89 2elj h LEU 30 CO -0.79 -0.35 -0.45 0.00 -0.34 0.00 0.00 178.44 176.51 2elj h ILE 32 N 0.00 0.84 0.81 0.00 2.04 -0.94 0.82 117.51 121.08 2elj h ILE 32 Ca 0.20 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 2elj h ILE 32 Cb 0.42 0.13 0.01 0.00 -0.74 0.00 0.00 36.82 36.64 2elj h ILE 32 CO -0.84 0.12 -0.39 1.56 0.00 0.00 0.00 178.15 178.60 2elj h GLN 33 N 0.66 -1.04 0.00 2.37 1.08 0.20 -2.52 115.11 115.85 2elj h GLN 33 Ca 0.38 0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.65 2elj h GLN 33 Cb 0.41 0.24 0.00 0.00 -0.05 0.00 0.00 27.48 28.08 2elj h GLN 33 CO -0.28 -0.68 0.00 1.28 -0.95 0.00 0.00 178.83 178.20 2elj n LEU 34 N -5.52 0.00 -4.26 1.46 4.77 0.67 -4.86 117.00 109.26 2elj n LEU 34 Ca -0.14 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.48 2elj n LEU 34 Cb 0.44 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 2elj n LEU 34 CO 0.36 0.00 -0.12 2.29 -1.33 0.00 0.00 177.39 178.60 2elj n LYS 35 N -0.56 -2.54 -3.98 3.23 2.85 0.26 -4.93 118.16 112.49 2elj n LYS 35 Ca 0.02 0.31 -0.29 0.00 -1.05 0.00 0.00 58.31 57.30 2elj n LYS 35 Cb 0.01 -4.83 -0.05 0.00 -0.65 0.00 0.00 35.03 29.52 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 -3.46 5.04 0.28 0.58 1.01 0.36 -4.99 121.20 120.02 2elj s ILE 36 Ca 0.60 -0.63 -0.07 0.00 0.00 0.00 0.00 60.65 60.55 2elj s ILE 36 Cb -0.33 -3.49 -0.06 0.00 0.01 0.00 0.00 42.46 38.58 2elj s ILE 36 CO 0.95 0.06 0.57 -0.76 0.00 0.00 0.00 174.94 175.77 2elj s LEU 37 N -2.68 4.07 0.46 2.97 1.43 -1.26 -4.56 118.68 119.11 2elj s LEU 37 Ca 0.33 0.83 0.25 0.00 -1.03 0.00 0.00 54.13 54.51 2elj s LEU 37 Cb -0.12 -3.63 1.05 0.00 0.03 0.00 0.00 46.19 43.52 2elj s LEU 37 CO 0.26 -0.17 1.89 1.55 0.23 0.00 0.00 176.35 180.10 2elj h PRO 38 N 1.94 0.00 0.86 1.29 0.13 -1.89 -1.97 132.00 132.36 2elj h PRO 38 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 2elj h PRO 38 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 2elj h PRO 38 CO 0.67 0.21 -0.41 -0.22 -0.23 0.00 0.00 178.00 178.01 2elj h LYS 39 N 0.00 -1.11 -0.16 0.86 1.63 -1.94 -2.52 116.57 113.33 2elj h LYS 39 Ca -0.00 0.08 -0.07 0.00 -0.85 0.00 0.00 60.65 59.81 2elj h LYS 39 Cb 0.65 0.25 -0.00 0.00 -0.60 0.00 0.00 32.23 32.53 2elj h LYS 39 CO 0.03 -0.74 -0.16 -1.00 -3.45 0.00 0.00 179.45 174.13 2elj h PRO 40 N -1.31 0.39 -0.95 1.90 0.13 -1.99 -3.02 132.00 127.15 2elj h PRO 40 Ca -0.12 -0.21 0.23 0.00 -0.87 0.00 0.00 66.00 65.04 2elj h PRO 40 Cb 0.88 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.95 2elj h PRO 40 CO 0.19 0.76 0.63 -0.92 -0.23 0.00 0.00 178.00 178.44 2elj h TYR 41 N 0.03 0.51 -0.18 1.56 5.03 -1.45 0.81 116.97 123.28 2elj h TYR 41 Ca 0.03 0.02 -0.17 0.00 2.58 0.00 0.00 58.73 61.18 2elj h TYR 41 Cb 0.69 -0.15 0.01 0.00 1.55 0.00 0.00 36.73 38.83 2elj h TYR 41 CO 0.08 0.11 -0.56 -0.07 -1.32 0.00 0.00 178.16 176.40 2elj h LEU 42 N 0.36 0.80 -0.37 2.82 3.38 -1.39 -0.18 115.31 120.73 2elj h LEU 42 Ca 0.50 -0.59 0.02 0.00 0.09 0.00 0.00 57.88 57.90 2elj h LEU 42 Cb 1.35 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 2elj h LEU 42 CO -0.19 1.25 0.20 0.58 0.09 0.00 0.00 178.44 180.38 2elj h VAL 43 N 0.38 1.02 -0.16 1.22 2.07 -0.75 -1.15 116.25 118.88 2elj h VAL 43 Ca -0.02 -0.14 -0.22 0.00 0.82 0.00 0.00 66.70 67.14 2elj h VAL 43 Cb 1.18 0.57 0.01 0.00 -1.52 0.00 0.00 31.29 31.53 2elj h VAL 43 CO 0.12 0.08 -0.76 0.17 0.02 0.00 0.00 177.57 177.20 2elj h LEU 44 N 0.42 0.94 -0.42 2.57 8.10 -1.34 -3.20 115.31 122.39 2elj h LEU 44 Ca 0.15 -0.62 0.07 0.00 0.11 0.00 0.00 57.88 57.58 2elj h LEU 44 Cb 0.02 -0.28 -0.06 0.00 -0.44 0.00 0.00 40.66 39.91 2elj h LEU 44 CO -0.08 1.41 0.08 0.50 -4.11 0.00 0.00 178.44 176.24 2elj h LYS 45 N 0.53 0.20 0.36 0.17 3.64 -0.78 -2.87 116.57 117.83 2elj h LYS 45 Ca -0.05 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2elj h LYS 45 Cb 1.39 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.14 2elj h LYS 45 CO 0.16 0.13 -0.43 1.49 -2.27 0.00 0.00 179.45 178.53 2elj h GLU 46 N 0.21 -0.78 -0.38 1.90 4.81 -1.26 -2.99 114.58 116.09 2elj h GLU 46 Ca 0.20 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.52 2elj h GLU 46 Cb 0.25 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.76 2elj h GLU 46 CO -0.27 -0.52 -0.23 0.28 -0.73 0.00 0.00 179.01 177.54 2elj n VAL 47 N -5.01 -0.26 -0.32 0.32 0.31 -1.11 -0.05 118.33 112.21 2elj n VAL 47 Ca -0.10 1.65 0.02 0.00 -0.01 0.00 0.00 64.34 65.90 2elj n VAL 47 Cb 0.38 -2.11 0.08 0.00 -0.91 0.00 0.00 33.84 31.28 2elj n VAL 47 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 2elj n MET 48 N -3.85 -0.14 -0.25 5.55 2.81 -1.10 0.15 117.12 120.29 2elj n MET 48 Ca 0.01 1.35 -0.07 0.00 -1.81 0.00 0.00 57.70 57.18 2elj n MET 48 Cb 0.10 -2.01 0.05 0.00 -0.71 0.00 0.00 33.22 30.64 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 1.13 0.00 2.03 0.04 -0.32 0.48 116.94 120.30 2elj h PHE 49 Ca 0.36 -0.11 -0.02 0.00 2.80 0.00 0.00 57.97 61.00 2elj h PHE 49 Cb 0.58 -0.33 -0.00 0.00 2.20 0.00 0.00 35.95 38.40 2elj h PHE 49 CO -0.72 0.90 -0.10 -0.09 -0.60 0.00 0.00 178.31 177.70 2elj h ARG 50 N 1.04 0.00 0.00 1.51 9.65 0.41 -0.01 114.38 126.98 2elj h ARG 50 Ca 0.23 0.00 -0.16 0.00 -1.10 0.00 0.00 59.98 58.95 2elj h ARG 50 Cb 0.29 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.84 2elj h ARG 50 CO -0.01 0.10 -1.93 -1.91 2.80 0.00 0.00 179.97 179.02 2elj n GLU 51 N -3.61 0.66 0.02 0.20 4.07 0.82 -3.45 120.64 119.34 2elj n GLU 51 Ca -0.02 -0.02 -0.18 0.00 -0.06 0.00 0.00 57.16 56.88 2elj n GLU 51 Cb 0.22 -1.61 -0.12 0.00 -0.06 0.00 0.00 31.44 29.87 2elj n GLU 51 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2elj h LEU 52 N 0.00 0.47 -0.28 4.31 3.38 0.43 -2.50 115.31 121.12 2elj h LEU 52 Ca -0.22 -0.84 -0.19 0.00 0.09 0.00 0.00 57.88 56.72 2elj h LEU 52 Cb 1.55 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.15 2elj h LEU 52 CO 0.02 1.26 -0.56 0.17 0.09 0.00 0.00 178.44 179.42 2elj h LEU 53 N -0.26 0.98 -0.04 1.67 8.10 -1.22 0.64 115.31 125.19 2elj h LEU 53 Ca -0.10 -0.54 -0.00 0.00 0.11 0.00 0.00 57.88 57.35 2elj h LEU 53 Cb 1.41 -0.28 -0.00 0.00 -0.44 0.00 0.00 40.66 41.35 2elj h LEU 53 CO 0.12 1.34 0.02 0.50 -4.11 0.00 0.00 178.44 176.31 2elj h LYS 54 N 0.66 0.06 0.00 0.17 3.64 -1.67 -3.01 116.57 116.42 2elj h LYS 54 Ca 0.01 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.24 2elj h LYS 54 Cb 1.17 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 2elj h LYS 54 CO 0.13 0.20 -0.64 1.79 -2.27 0.00 0.00 179.45 178.66 2elj h THR 55 N -0.09 1.19 -0.04 1.00 1.35 -1.49 -3.48 112.91 111.35 2elj h THR 55 Ca 0.01 -2.41 0.00 0.00 -0.55 0.00 0.00 66.41 63.46 2elj h THR 55 Cb 0.16 2.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 2elj h THR 55 CO -0.00 0.62 0.00 0.61 -0.25 0.00 0.00 175.52 176.50 2elj n GLY 56 N 0.92 1.24 0.86 5.82 0.00 0.15 -4.61 105.19 109.57 2elj n GLY 56 Ca 0.01 -0.39 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 -0.93 0.81 2.01 -0.02 0.00 0.18 -4.99 105.19 102.24 2elj n GLY 57 Ca 0.00 -0.50 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.82 4.39 -4.60 1.61 4.13 -1.26 -5.04 115.26 113.67 2elj n ASN 58 Ca 0.00 -3.59 -0.30 0.00 1.68 0.00 0.00 54.58 52.37 2elj n ASN 58 Cb 0.29 -0.36 -0.10 0.00 -1.54 0.00 0.00 39.78 38.07 2elj n ASN 58 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2elj s LEU 59 N -3.57 3.12 0.04 3.41 2.96 -1.26 -5.05 118.68 118.33 2elj s LEU 59 Ca 0.48 -0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 54.01 2elj s LEU 59 Cb 0.40 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 45.19 2elj s LEU 59 CO 0.02 0.19 0.09 -0.44 -1.32 0.00 0.00 176.35 174.89 2elj s SER 60 N -2.13 0.20 0.57 3.68 0.01 -1.26 -4.99 113.70 109.79 2elj s SER 60 Ca 0.22 -0.58 0.40 0.00 1.31 0.00 0.00 55.95 57.30 2elj s SER 60 Cb -0.11 0.23 1.47 0.00 0.21 0.00 0.00 66.02 67.81 2elj s SER 60 CO 0.14 -0.52 1.58 0.50 0.41 0.00 0.00 173.24 175.35 2elj h LYS 61 N 3.60 0.00 0.11 12.44 3.11 -1.99 0.19 116.57 134.04 2elj h LYS 61 Ca -0.33 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.51 2elj h LYS 61 Cb 1.18 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.41 2elj h LYS 61 CO 0.52 0.00 -0.05 1.03 -2.81 0.00 0.00 179.45 178.13 2elj h SER 62 N 0.00 -0.13 -0.24 4.20 0.87 -2.01 -3.31 113.55 112.93 2elj h SER 62 Ca 0.68 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 61.30 2elj h SER 62 Cb 3.02 0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 64.96 2elj h SER 62 CO -0.01 0.33 -0.09 0.00 -0.53 0.00 0.00 176.83 176.53 2elj h ALA 63 N -1.09 0.11 -0.76 6.23 0.00 -1.38 -2.88 119.26 119.50 2elj h ALA 63 Ca -0.02 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.06 2elj h ALA 63 Cb 0.11 0.24 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 2elj h ALA 63 CO 0.03 -0.50 -0.45 0.00 0.00 0.00 0.00 179.25 178.32 2elj h ARG 65 N 0.00 0.03 0.41 0.00 3.08 -1.59 0.41 114.38 116.71 2elj h ARG 65 Ca 0.12 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 2elj h ARG 65 Cb 0.31 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2elj h ARG 65 CO -0.71 0.02 -0.19 1.49 -1.07 0.00 0.00 179.97 179.50 2elj h GLU 66 N 0.03 -0.52 -0.82 0.04 4.81 0.13 -3.23 114.58 115.02 2elj h GLU 66 Ca 0.57 0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.98 2elj h GLU 66 Cb 1.14 0.12 -0.15 0.00 0.63 0.00 0.00 28.75 30.49 2elj h GLU 66 CO -0.88 -0.22 -0.30 1.25 -0.73 0.00 0.00 179.01 178.13 2elj h LEU 67 N -0.85 -1.08 -9.41 1.64 5.85 0.10 -3.37 115.31 108.19 2elj h LEU 67 Ca -0.06 0.26 -0.55 0.00 0.84 0.00 0.00 57.88 58.38 2elj h LEU 67 Cb 0.55 0.61 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 2elj h LEU 67 CO 0.09 -0.29 0.18 -0.76 -0.34 0.00 0.00 178.44 177.33 2elj s LEU 68 N -10.95 4.36 -0.21 2.25 1.43 -0.35 -4.94 118.68 110.27 2elj s LEU 68 Ca -0.14 1.38 -0.00 0.00 -1.03 0.00 0.00 54.13 54.33 2elj s LEU 68 Cb 0.21 -3.25 0.18 0.00 0.03 0.00 0.00 46.19 43.35 2elj s LEU 68 CO 0.73 -0.13 1.80 0.59 0.23 0.00 0.00 176.35 179.57 2elj n ASN 69 N 3.62 5.29 -4.76 2.29 3.02 -1.26 -4.80 115.26 118.66 2elj n ASN 69 Ca 0.01 -2.79 -0.23 0.00 -0.03 0.00 0.00 54.58 51.53 2elj n ASN 69 Cb 0.51 -0.94 0.02 0.00 -0.61 0.00 0.00 39.78 38.76 2elj n ASN 69 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2elj n ILE 70 N 0.43 0.00 -1.75 2.41 -5.35 -1.26 -5.09 119.36 108.75 2elj n ILE 70 Ca 0.22 -2.03 -0.37 0.00 -0.27 0.00 0.00 62.75 60.30 2elj n ILE 70 Cb 0.66 -0.20 0.07 0.00 -1.74 0.00 0.00 39.64 38.44 2elj n ILE 70 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 2elj s ASP 71 N -4.22 4.62 0.39 7.28 1.11 -1.26 -4.88 116.67 119.70 2elj s ASP 71 Ca 0.39 2.62 0.18 0.00 0.18 0.00 0.00 52.55 55.92 2elj s ASP 71 Cb -0.03 -2.62 0.78 0.00 1.07 0.00 0.00 42.92 42.12 2elj s ASP 71 CO 0.25 -1.99 1.80 1.55 1.18 0.00 0.00 175.17 177.95 2elj h PRO 72 N 0.56 0.00 0.00 8.23 0.13 -1.96 -2.09 132.00 136.87 2elj h PRO 72 Ca -0.51 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.39 2elj h PRO 72 Cb 1.34 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.43 2elj h PRO 72 CO 0.53 0.36 -1.17 0.82 -0.23 0.00 0.00 178.00 178.31 2elj h ILE 73 N 0.00 1.50 0.02 -3.56 2.04 -2.01 -3.21 117.51 112.30 2elj h ILE 73 Ca -0.00 -3.25 -0.25 0.00 1.00 0.00 0.00 64.86 62.36 2elj h ILE 73 Cb 0.77 2.74 0.01 0.00 -0.74 0.00 0.00 36.82 39.60 2elj h ILE 73 CO 0.05 0.86 -1.03 0.11 0.00 0.00 0.00 178.15 178.13 2elj h LYS 74 N 0.00 0.54 0.00 2.37 1.79 -1.90 -3.17 116.57 116.21 2elj h LYS 74 Ca -0.08 -0.61 -0.03 0.00 -2.18 0.00 0.00 60.65 57.75 2elj h LYS 74 Cb 1.82 0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 32.65 2elj h LYS 74 CO 0.12 1.23 -0.13 0.00 -1.08 0.00 0.00 179.45 179.58 2elj h ALA 75 N 0.55 1.15 -0.36 3.86 0.00 -1.48 -1.23 119.26 121.74 2elj h ALA 75 Ca -0.11 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 2elj h ALA 75 Cb 1.68 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 2elj h ALA 75 CO 0.19 0.17 -0.14 -0.91 0.00 0.00 0.00 179.25 178.56 2elj h ASN 76 N 0.00 0.64 0.01 0.00 2.35 -1.54 -1.45 115.58 115.59 2elj h ASN 76 Ca -0.00 -0.19 -0.19 0.00 -0.55 0.00 0.00 56.30 55.37 2elj h ASN 76 Cb 0.47 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 2elj h ASN 76 CO 0.02 0.80 -1.04 -0.09 -1.65 0.00 0.00 177.43 175.47 2elj h ARG 77 N 0.59 0.02 -0.88 0.81 9.65 -1.57 -3.23 114.38 119.77 2elj h ARG 77 Ca 0.10 -0.03 0.13 0.00 -1.10 0.00 0.00 59.98 59.09 2elj h ARG 77 Cb 0.58 0.01 -0.09 0.00 -1.39 0.00 0.00 29.97 29.08 2elj h ARG 77 CO 0.04 1.01 0.49 0.82 2.80 0.00 0.00 179.97 185.13 2elj h ILE 78 N -0.95 0.80 -0.61 1.20 2.04 -1.30 -0.49 117.51 118.20 2elj h ILE 78 Ca -0.28 -0.25 -0.09 0.00 1.00 0.00 0.00 64.86 65.24 2elj h ILE 78 Cb 1.28 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 2elj h ILE 78 CO -0.15 0.13 0.01 0.22 0.00 0.00 0.00 178.15 178.36 2elj h TYR 79 N 0.73 1.16 -0.62 1.37 3.20 -1.43 -2.91 116.97 118.47 2elj h TYR 79 Ca 0.46 -0.19 -0.03 0.00 3.14 0.00 0.00 58.73 62.11 2elj h TYR 79 Cb 0.58 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 2elj h TYR 79 CO -0.06 1.01 0.27 -0.44 -1.64 0.00 0.00 178.16 177.30 2elj h ASP 80 N 0.98 0.83 -0.91 -2.11 3.32 -1.17 -2.68 116.42 114.68 2elj h ASP 80 Ca 0.18 -0.15 0.06 0.00 0.02 0.00 0.00 57.03 57.14 2elj h ASP 80 Cb 0.54 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.82 2elj h ASP 80 CO 0.03 0.75 0.57 0.15 -1.72 0.00 0.00 179.24 179.02 2elj h PHE 81 N 0.85 1.06 -0.73 4.55 3.57 -1.04 0.17 116.94 125.38 2elj h PHE 81 Ca 0.21 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 2elj h PHE 81 Cb 0.16 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 38.52 2elj h PHE 81 CO 0.01 0.55 0.41 0.74 -2.23 0.00 0.00 178.31 177.78 2elj h PHE 82 N 1.05 0.98 -0.00 0.41 -1.00 -1.29 -2.35 116.94 114.73 2elj h PHE 82 Ca 0.39 -0.01 -0.12 0.00 2.81 0.00 0.00 57.97 61.04 2elj h PHE 82 Cb 0.16 -0.32 0.01 0.00 3.61 0.00 0.00 35.95 39.41 2elj h PHE 82 CO -0.02 0.68 -0.46 1.96 -1.61 0.00 0.00 178.31 178.86 2elj h GLN 83 N 1.01 0.31 -0.19 1.51 4.20 -1.06 -3.09 115.11 117.81 2elj h GLN 83 Ca 0.26 -0.33 0.06 0.00 0.06 0.00 0.00 58.65 58.69 2elj h GLN 83 Cb 0.01 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2elj h GLN 83 CO -0.04 1.03 0.28 1.03 -0.67 0.00 0.00 178.83 180.45 2elj h SER 84 N -0.26 0.00 -0.36 1.46 0.87 -0.52 0.29 113.55 115.03 2elj h SER 84 Ca -0.06 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.43 2elj h SER 84 Cb 1.18 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.10 2elj h SER 84 CO 0.09 0.00 0.10 0.00 -0.53 0.00 0.00 176.83 176.49 2elj n GLN 85 N -3.53 2.64 -4.10 2.24 1.13 -0.90 -4.88 117.38 109.98 2elj n GLN 85 Ca 0.02 -1.62 -0.36 0.00 -1.94 0.00 0.00 57.00 53.11 2elj n GLN 85 Cb 0.40 -1.82 -0.07 0.00 0.11 0.00 0.00 30.24 28.86 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 0.13 -1.60 -0.03 1.08 2.85 0.10 -4.76 115.26 113.04 2elj n ASN 86 Ca 0.19 -0.99 -0.09 0.00 -0.11 0.00 0.00 54.58 53.58 2elj n ASN 86 Cb 0.85 -1.41 -0.14 0.00 1.24 0.00 0.00 39.78 40.32 2elj n ASN 86 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 2elj n TRP 87 N -3.62 0.94 0.74 1.20 8.01 -1.17 -5.08 117.44 118.46 2elj n TRP 87 Ca 0.10 0.34 0.09 0.00 -1.31 0.00 0.00 57.50 56.72 2elj n TRP 87 Cb 0.42 -1.17 0.07 0.00 -2.01 0.00 0.00 31.31 28.62 2elj n TRP 87 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.69 175.35