#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqs s GLU 2 N 0.00 1.22 -0.54 0.03 1.03 -1.26 -4.46 118.70 114.72 2oqs s GLU 2 Ca 0.00 -0.22 -0.18 0.00 0.03 0.00 0.00 54.97 54.61 2oqs s GLU 2 Cb 0.00 -1.17 0.10 0.00 -0.80 0.00 0.00 34.13 32.26 2oqs s GLU 2 CO 0.00 -0.10 0.59 0.42 -1.33 0.00 0.00 175.26 174.85 2oqs s ILE 3 N 1.06 4.99 -0.77 1.83 1.01 -0.98 -5.00 121.20 123.34 2oqs s ILE 3 Ca -0.08 -1.03 -0.13 0.00 0.00 0.00 0.00 60.65 59.41 2oqs s ILE 3 Cb -0.14 -4.36 0.20 0.00 0.01 0.00 0.00 42.46 38.17 2oqs s ILE 3 CO -0.01 -0.92 0.69 -0.75 0.00 0.00 0.00 174.94 173.96 2oqs s LYS 4 N 2.25 3.40 -0.06 2.79 2.20 -1.26 -1.54 119.74 127.51 2oqs s LYS 4 Ca 0.09 -2.37 -0.20 0.00 -0.36 0.00 0.00 55.97 53.12 2oqs s LYS 4 Cb -0.25 -4.33 -0.04 0.00 -1.51 0.00 0.00 37.83 31.70 2oqs s LYS 4 CO 0.07 -1.28 0.58 -0.51 -0.36 0.00 0.00 175.35 173.84 2oqs s LEU 5 N 0.32 4.34 -0.18 5.43 1.02 -0.98 -4.91 118.68 123.71 2oqs s LEU 5 Ca 0.16 1.04 -0.21 0.00 0.02 0.00 0.00 54.13 55.14 2oqs s LEU 5 Cb -0.14 -2.88 -0.03 0.00 0.02 0.00 0.00 46.19 43.17 2oqs s LEU 5 CO -0.07 0.01 0.62 -0.51 0.02 0.00 0.00 176.35 176.42 2oqs s ILE 6 N 0.37 5.03 -0.11 -0.59 2.07 -1.26 -1.31 121.20 125.41 2oqs s ILE 6 Ca 0.31 1.19 -0.29 0.00 -1.41 0.00 0.00 60.65 60.45 2oqs s ILE 6 Cb -0.17 -3.94 -0.06 0.00 0.13 0.00 0.00 42.46 38.42 2oqs s ILE 6 CO 0.15 0.14 1.99 -0.75 -1.91 0.00 0.00 174.94 174.56 2oqs s LYS 7 N 1.74 3.70 0.00 3.50 2.47 0.18 -4.89 119.74 126.45 2oqs s LYS 7 Ca 0.29 2.22 0.00 0.00 -1.56 0.00 0.00 55.97 56.92 2oqs s LYS 7 Cb -0.16 -4.21 0.00 0.00 -1.46 0.00 0.00 37.83 32.00 2oqs s LYS 7 CO 0.11 -1.44 0.00 0.41 0.16 0.00 0.00 175.35 174.59 2oqs n GLY 8 N 5.01 6.90 0.35 5.54 0.00 -1.26 -4.94 105.19 116.79 2oqs n GLY 8 Ca 0.23 -2.07 -0.02 0.00 0.00 0.00 0.00 46.02 44.16 2oqs n GLY 8 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2oqs h PRO 9 N 0.00 1.11 0.00 1.61 0.11 -2.01 -3.31 132.00 129.50 2oqs h PRO 9 Ca 0.00 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 2oqs h PRO 9 Cb 0.00 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 30.88 2oqs h PRO 9 CO 0.00 0.79 -0.49 0.87 -0.21 0.00 0.00 178.00 178.96 2oqs h LYS 10 N 1.12 0.00 0.00 1.05 1.57 -1.96 -3.51 116.57 114.84 2oqs h LYS 10 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 2oqs h LYS 10 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2oqs h LYS 10 CO -0.05 0.04 0.00 0.41 -0.57 0.00 0.00 179.45 179.28 2oqs n GLY 11 N 1.63 -0.49 0.25 3.86 0.00 -1.25 -4.62 105.19 104.56 2oqs n GLY 11 Ca -0.07 -1.87 -0.07 0.00 0.00 0.00 0.00 46.02 44.01 2oqs n GLY 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2oqs n LEU 12 N 0.00 -0.64 -2.41 0.99 4.32 -1.26 -1.08 117.00 116.92 2oqs n LEU 12 Ca 0.00 1.29 -0.11 0.00 -0.02 0.00 0.00 56.01 57.17 2oqs n LEU 12 Cb 0.00 -0.25 0.05 0.00 -1.62 0.00 0.00 43.42 41.60 2oqs n LEU 12 CO 0.00 -0.98 0.08 0.61 -1.22 0.00 0.00 177.39 175.88 2oqs n GLY 13 N -1.15 -0.01 1.34 -0.72 0.00 -1.26 0.14 105.19 103.53 2oqs n GLY 13 Ca 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 2oqs n GLY 13 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2oqs n PHE 14 N -3.12 -1.27 -4.40 1.61 1.16 -1.26 0.46 117.46 110.64 2oqs n PHE 14 Ca -0.13 -0.59 -0.20 0.00 -1.87 0.00 0.00 57.45 54.67 2oqs n PHE 14 Cb 0.59 0.29 -0.10 0.00 -1.61 0.00 0.00 39.48 38.64 2oqs n PHE 14 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 2oqs s SER 15 N -1.78 1.96 0.24 5.98 1.04 0.15 -4.87 113.70 116.43 2oqs s SER 15 Ca 0.06 -1.37 -0.16 0.00 0.48 0.00 0.00 55.95 54.97 2oqs s SER 15 Cb -0.01 0.00 0.01 0.00 0.10 0.00 0.00 66.02 66.11 2oqs s SER 15 CO 0.03 -0.64 0.55 0.27 0.98 0.00 0.00 173.24 174.44 2oqs s ILE 16 N -3.45 0.01 0.20 -1.02 -0.00 -1.26 -2.78 121.20 112.91 2oqs s ILE 16 Ca 0.36 -1.16 0.01 0.00 -0.00 0.00 0.00 60.65 59.87 2oqs s ILE 16 Cb 0.08 -2.01 -0.05 0.00 -0.00 0.00 0.00 42.46 40.49 2oqs s ILE 16 CO 0.14 -0.03 0.05 0.00 -0.00 0.00 0.00 174.94 175.10 2oqs s ALA 17 N -3.96 1.45 0.00 2.27 0.00 0.19 -4.79 121.76 116.92 2oqs s ALA 17 Ca 0.16 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.43 2oqs s ALA 17 Cb -0.02 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.90 2oqs s ALA 17 CO 0.06 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.83 2oqs n GLY 18 N -0.32 2.28 0.00 0.00 0.00 -1.26 -1.60 105.19 104.29 2oqs n GLY 18 Ca -0.03 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2oqs n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oqs n GLY 19 N 0.00 2.93 3.76 -0.02 0.00 -0.66 0.23 105.19 111.44 2oqs n GLY 19 Ca 0.00 -1.85 -0.36 0.00 0.00 0.00 0.00 46.02 43.81 2oqs n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oqs s VAL 20 N -2.48 2.80 0.00 1.61 1.01 -1.26 -0.40 120.40 121.68 2oqs s VAL 20 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.51 2oqs s VAL 20 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.15 2oqs s VAL 20 CO 0.00 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.63 2oqs n GLY 21 N 0.43 2.98 0.43 4.51 0.00 -1.26 -4.58 105.19 107.70 2oqs n GLY 21 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.14 2oqs n GLY 21 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2oqs n ASN 22 N 0.00 0.13 -4.54 1.61 6.94 -1.06 -5.12 115.26 113.22 2oqs n ASN 22 Ca 0.00 -1.97 -0.47 0.00 -0.02 0.00 0.00 54.58 52.13 2oqs n ASN 22 Cb 0.00 -0.19 -0.03 0.00 -2.36 0.00 0.00 39.78 37.20 2oqs n ASN 22 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 2oqs n GLN 23 N -0.08 0.95 -0.07 -3.83 7.27 0.47 -4.12 117.38 117.97 2oqs n GLN 23 Ca 0.01 0.33 -0.11 0.00 0.07 0.00 0.00 57.00 57.30 2oqs n GLN 23 Cb 0.68 -1.64 -0.15 0.00 2.41 0.00 0.00 30.24 31.53 2oqs n GLN 23 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 2oqs n HIS 24 N 0.47 0.45 -4.34 3.69 -0.00 -1.26 -4.92 115.22 109.30 2oqs n HIS 24 Ca 0.13 0.15 -0.23 0.00 -0.00 0.00 0.00 57.72 57.77 2oqs n HIS 24 Cb 0.28 -1.08 -0.17 0.00 -0.00 0.00 0.00 29.99 29.03 2oqs n HIS 24 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2oqs s ILE 25 N -2.54 0.86 -0.17 3.57 -1.09 -1.25 -5.09 121.20 115.49 2oqs s ILE 25 Ca -0.11 -0.30 -0.31 0.00 -2.23 0.00 0.00 60.65 57.69 2oqs s ILE 25 Cb 0.07 -0.83 -0.09 0.00 -1.58 0.00 0.00 42.46 40.03 2oqs s ILE 25 CO 0.81 0.30 2.09 -0.81 -1.23 0.00 0.00 174.94 176.10 2oqs n PRO 26 N 4.02 2.01 0.00 2.79 -0.04 -1.26 -2.16 135.00 140.36 2oqs n PRO 26 Ca -0.23 0.64 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 2oqs n PRO 26 Cb 0.51 -2.91 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 2oqs n PRO 26 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2oqs n GLY 27 N 5.37 3.07 3.41 0.55 0.00 -1.26 -5.01 105.19 111.33 2oqs n GLY 27 Ca 0.29 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 2oqs n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2oqs s ASP 28 N 0.00 6.00 -0.06 1.61 1.11 -0.92 -4.94 116.67 119.47 2oqs s ASP 28 Ca 0.00 -1.06 0.03 0.00 0.18 0.00 0.00 52.55 51.70 2oqs s ASP 28 Cb 0.00 -2.12 0.17 0.00 1.07 0.00 0.00 42.92 42.04 2oqs s ASP 28 CO 0.00 -0.49 0.83 0.59 1.18 0.00 0.00 175.17 177.29 2oqs n ASN 29 N 5.12 2.19 -3.43 0.27 3.02 -1.26 -3.87 115.26 117.30 2oqs n ASN 29 Ca -0.11 -2.22 -0.29 0.00 -0.03 0.00 0.00 54.58 51.93 2oqs n ASN 29 Cb 0.46 -0.55 0.25 0.00 -0.61 0.00 0.00 39.78 39.33 2oqs n ASN 29 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2oqs n SER 30 N 0.14 -2.61 -4.46 6.41 7.64 -1.26 -1.65 113.62 117.83 2oqs n SER 30 Ca 0.07 -1.06 -0.43 0.00 1.01 0.00 0.00 58.87 58.46 2oqs n SER 30 Cb 0.50 -0.96 -0.09 0.00 -1.01 0.00 0.00 64.21 62.65 2oqs n SER 30 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2oqs s ILE 31 N -2.67 5.20 0.03 0.44 -1.09 -0.70 -3.98 121.20 118.43 2oqs s ILE 31 Ca 0.67 -0.60 0.03 0.00 -2.23 0.00 0.00 60.65 58.53 2oqs s ILE 31 Cb -0.08 -3.99 -0.04 0.00 -1.58 0.00 0.00 42.46 36.78 2oqs s ILE 31 CO 0.53 -0.37 -0.03 -0.31 -1.23 0.00 0.00 174.94 173.52 2oqs s TYR 32 N 1.83 2.97 -0.14 3.97 1.51 -0.63 0.72 117.35 127.58 2oqs s TYR 32 Ca 0.07 -0.00 -0.25 0.00 -1.01 0.00 0.00 57.07 55.88 2oqs s TYR 32 Cb -0.19 -1.60 -0.02 0.00 -0.11 0.00 0.00 41.96 40.04 2oqs s TYR 32 CO 0.11 0.43 0.80 0.08 -1.11 0.00 0.00 175.55 175.87 2oqs s VAL 33 N -1.12 4.92 -0.13 0.71 1.01 -1.21 0.57 120.40 125.15 2oqs s VAL 33 Ca 0.20 1.60 0.20 0.00 0.00 0.00 0.00 61.98 63.98 2oqs s VAL 33 Cb -0.11 -4.12 -0.29 0.00 0.00 0.00 0.00 36.38 31.86 2oqs s VAL 33 CO 0.12 0.09 0.25 1.07 0.00 0.00 0.00 175.10 176.62 2oqs n THR 34 N 4.48 0.79 -3.64 3.92 5.66 -1.12 -3.03 114.28 121.35 2oqs n THR 34 Ca 0.03 -0.70 -0.03 0.00 -3.05 0.00 0.00 64.05 60.30 2oqs n THR 34 Cb 0.49 -0.26 -0.06 0.00 -1.55 0.00 0.00 70.33 68.96 2oqs n THR 34 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2oqs s LYS 35 N -2.93 0.50 -0.26 1.09 1.02 -1.26 -4.98 119.74 112.91 2oqs s LYS 35 Ca -0.09 1.32 -0.12 0.00 0.02 0.00 0.00 55.97 57.10 2oqs s LYS 35 Cb 0.09 0.70 -0.05 0.00 -0.52 0.00 0.00 37.83 38.06 2oqs s LYS 35 CO 0.86 -0.23 0.23 0.42 -0.92 0.00 0.00 175.35 175.71 2oqs s ILE 36 N 2.81 5.29 0.43 2.17 1.01 -1.26 0.31 121.20 131.97 2oqs s ILE 36 Ca -0.04 0.27 -0.22 0.00 0.00 0.00 0.00 60.65 60.66 2oqs s ILE 36 Cb -0.12 -3.56 -0.09 0.00 0.01 0.00 0.00 42.46 38.70 2oqs s ILE 36 CO -0.17 0.26 1.05 -0.63 0.00 0.00 0.00 174.94 175.44 2oqs s ILE 37 N 1.63 3.73 0.48 2.92 1.09 0.17 -4.94 121.20 126.28 2oqs s ILE 37 Ca 0.09 1.22 -0.24 0.00 -1.10 0.00 0.00 60.65 60.63 2oqs s ILE 37 Cb -0.15 -3.58 -0.07 0.00 -1.06 0.00 0.00 42.46 37.60 2oqs s ILE 37 CO 0.09 -0.09 1.36 -1.61 -0.10 0.00 0.00 174.94 174.59 2oqs s GLU 38 N -2.79 3.52 -1.65 2.79 2.02 -1.26 -2.43 118.70 118.90 2oqs s GLU 38 Ca 0.62 2.24 0.00 0.00 0.02 0.00 0.00 54.97 57.85 2oqs s GLU 38 Cb -0.20 -2.49 0.00 0.00 0.10 0.00 0.00 34.13 31.54 2oqs s GLU 38 CO 0.25 -0.89 0.00 0.41 0.02 0.00 0.00 175.26 175.05 2oqs n GLY 39 N 0.64 1.54 3.95 -1.39 0.00 -1.26 -4.98 105.19 103.68 2oqs n GLY 39 Ca 0.07 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 2oqs n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2oqs s GLY 40 N -2.70 1.67 0.18 -0.02 0.00 -1.02 -4.79 107.32 100.64 2oqs s GLY 40 Ca 0.00 -1.06 -0.22 0.00 0.00 0.00 0.00 44.72 43.45 2oqs s GLY 40 CO 0.00 -0.80 1.59 0.00 0.00 0.00 0.00 173.10 173.88 2oqs h ALA 41 N 0.08 -0.11 -0.01 3.20 0.00 0.13 0.41 119.26 122.96 2oqs h ALA 41 Ca -0.45 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2oqs h ALA 41 Cb 1.27 0.79 -0.00 0.00 0.00 0.00 0.00 17.79 19.86 2oqs h ALA 41 CO 0.57 -0.71 -0.00 0.00 0.00 0.00 0.00 179.25 179.11 2oqs h ALA 42 N 0.90 0.01 -0.31 0.00 0.00 -1.80 -1.40 119.26 116.66 2oqs h ALA 42 Ca 0.21 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.01 2oqs h ALA 42 Cb 0.55 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 2oqs h ALA 42 CO -0.65 -0.30 -0.11 1.25 0.00 0.00 0.00 179.25 179.43 2oqs h HIS 43 N -0.33 -0.26 -0.61 0.00 6.17 -1.65 0.11 115.15 118.57 2oqs h HIS 43 Ca 0.00 0.03 -0.10 0.00 0.71 0.00 0.00 60.37 61.02 2oqs h HIS 43 Cb 0.36 0.16 -0.02 0.00 2.52 0.00 0.00 27.41 30.44 2oqs h HIS 43 CO 0.05 -0.18 -0.00 0.87 0.71 0.00 0.00 177.93 179.38 2oqs h LYS 44 N -0.05 1.07 -0.07 5.26 1.57 -0.25 -3.15 116.57 120.95 2oqs h LYS 44 Ca 0.16 -0.34 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 2oqs h LYS 44 Cb 0.29 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 2oqs h LYS 44 CO -0.35 1.05 0.03 0.22 -0.57 0.00 0.00 179.45 179.83 2oqs h ASP 45 N 0.98 0.09 0.00 0.86 3.58 -0.65 -3.47 116.42 117.81 2oqs h ASP 45 Ca 0.17 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2oqs h ASP 45 Cb 0.57 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.59 2oqs h ASP 45 CO 0.03 0.17 0.00 0.61 -2.88 0.00 0.00 179.24 177.18 2oqs n GLY 46 N -0.81 2.96 0.17 -0.78 0.00 0.31 -4.87 105.19 102.16 2oqs n GLY 46 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 2oqs n GLY 46 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2oqs h LYS 47 N 0.66 0.50 -6.00 1.61 1.63 -1.91 -3.41 116.57 109.65 2oqs h LYS 47 Ca 0.00 -0.07 -0.58 0.00 -0.85 0.00 0.00 60.65 59.15 2oqs h LYS 47 Cb 0.00 -0.09 -0.06 0.00 -0.60 0.00 0.00 32.23 31.47 2oqs h LYS 47 CO 0.00 0.45 0.52 -1.17 -3.45 0.00 0.00 179.45 175.80 2oqs s LEU 48 N -9.91 4.16 0.03 5.20 0.20 -1.26 -5.04 118.68 112.05 2oqs s LEU 48 Ca -0.13 1.26 0.05 0.00 0.69 0.00 0.00 54.13 55.99 2oqs s LEU 48 Cb 0.10 -3.34 -0.02 0.00 -0.43 0.00 0.00 46.19 42.49 2oqs s LEU 48 CO 0.73 -0.48 -0.14 0.00 -0.29 0.00 0.00 176.35 176.18 2oqs s GLN 49 N 2.44 0.93 -0.20 1.98 0.00 -1.26 -4.65 119.66 118.90 2oqs s GLN 49 Ca 0.41 -0.71 -0.40 0.00 -0.00 0.00 0.00 55.36 54.66 2oqs s GLN 49 Cb -0.16 -0.93 -0.16 0.00 0.00 0.00 0.00 33.01 31.76 2oqs s GLN 49 CO 0.11 0.23 1.63 -0.89 0.00 0.00 0.00 175.29 176.38 2oqs n ILE 50 N 2.02 0.22 0.00 3.63 5.41 -1.26 -2.12 119.36 127.25 2oqs n ILE 50 Ca -0.18 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.54 2oqs n ILE 50 Cb 0.55 -1.07 0.00 0.00 -0.71 0.00 0.00 39.64 38.41 2oqs n ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2oqs n GLY 51 N 3.75 1.59 3.76 7.39 0.00 -1.17 -5.05 105.19 115.46 2oqs n GLY 51 Ca 0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 2oqs n GLY 51 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2oqs s ASP 52 N -1.60 4.85 0.08 1.61 1.47 -0.90 -4.87 116.67 117.31 2oqs s ASP 52 Ca 0.00 2.09 0.06 0.00 1.18 0.00 0.00 52.55 55.88 2oqs s ASP 52 Cb 0.00 -2.56 -0.04 0.00 -0.34 0.00 0.00 42.92 39.98 2oqs s ASP 52 CO 0.00 -1.81 -0.08 -1.59 0.68 0.00 0.00 175.17 172.37 2oqs s LYS 53 N -4.05 2.27 -0.35 2.11 0.00 -1.26 -3.29 119.74 115.17 2oqs s LYS 53 Ca 0.69 -0.94 -0.15 0.00 0.00 0.00 0.00 55.97 55.57 2oqs s LYS 53 Cb -0.23 -2.37 -0.01 0.00 0.00 0.00 0.00 37.83 35.22 2oqs s LYS 53 CO 0.42 0.53 0.34 -0.51 0.00 0.00 0.00 175.35 176.14 2oqs s LEU 54 N -2.03 4.54 -0.09 2.77 1.43 0.22 -3.05 118.68 122.46 2oqs s LEU 54 Ca 0.21 -0.35 -0.24 0.00 -1.03 0.00 0.00 54.13 52.72 2oqs s LEU 54 Cb -0.11 -2.30 -0.20 0.00 0.03 0.00 0.00 46.19 43.61 2oqs s LEU 54 CO 0.13 -0.35 0.85 0.25 0.23 0.00 0.00 176.35 177.46 2oqs h LEU 55 N 8.73 -0.04 -7.39 1.79 5.85 0.89 -3.33 115.31 121.80 2oqs h LEU 55 Ca -0.30 -0.65 -0.04 0.00 0.84 0.00 0.00 57.88 57.73 2oqs h LEU 55 Cb 1.14 0.01 -0.12 0.00 0.37 0.00 0.00 40.66 42.06 2oqs h LEU 55 CO 0.69 0.69 -0.02 0.00 -0.34 0.00 0.00 178.44 179.46 2oqs s ALA 56 N -3.07 -1.01 -0.20 1.25 0.00 -0.12 0.11 121.76 118.72 2oqs s ALA 56 Ca -0.15 -0.01 -0.04 0.00 0.00 0.00 0.00 51.96 51.75 2oqs s ALA 56 Cb -0.01 0.74 0.09 0.00 0.00 0.00 0.00 23.12 23.95 2oqs s ALA 56 CO 0.58 -0.68 0.20 0.08 0.00 0.00 0.00 175.76 175.94 2oqs s VAL 57 N -3.81 -0.28 -0.93 0.00 1.01 0.36 0.10 120.40 116.86 2oqs s VAL 57 Ca 0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.86 2oqs s VAL 57 Cb 0.01 -0.68 -0.00 0.00 0.00 0.00 0.00 36.38 35.71 2oqs s VAL 57 CO -0.11 -0.25 0.77 -3.20 0.00 0.00 0.00 175.10 172.32 2oqs n ASN 58 N 5.31 -2.15 0.00 3.32 2.85 -1.16 -2.73 115.26 120.70 2oqs n ASN 58 Ca -0.06 -0.48 0.00 0.00 -0.11 0.00 0.00 54.58 53.93 2oqs n ASN 58 Cb 0.49 -4.09 0.00 0.00 1.24 0.00 0.00 39.78 37.42 2oqs n ASN 58 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2oqs n ASN 59 N -2.66 0.00 -4.87 1.20 4.13 -1.26 -5.00 115.26 106.80 2oqs n ASN 59 Ca -0.22 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 55.68 2oqs n ASN 59 Cb 0.63 -0.15 -0.06 0.00 -1.54 0.00 0.00 39.78 38.67 2oqs n ASN 59 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2oqs s VAL 60 N -2.23 5.29 0.16 2.41 -7.23 -1.10 -5.07 120.40 112.62 2oqs s VAL 60 Ca 0.00 0.31 -0.30 0.00 -1.81 0.00 0.00 61.98 60.18 2oqs s VAL 60 Cb 0.00 -3.56 -0.07 0.00 0.56 0.00 0.00 36.38 33.31 2oqs s VAL 60 CO 0.00 0.46 0.98 0.00 -0.31 0.00 0.00 175.10 176.23 2oqs n LEU 62 N 2.37 6.20 0.00 0.00 4.32 0.12 -4.33 117.00 125.68 2oqs n LEU 62 Ca 0.01 -3.63 0.00 0.00 -0.02 0.00 0.00 56.01 52.38 2oqs n LEU 62 Cb 0.48 -0.80 0.00 0.00 -1.62 0.00 0.00 43.42 41.49 2oqs n LEU 62 CO 0.51 1.08 -0.44 1.21 -1.22 0.00 0.00 177.39 178.53 2oqs n GLU 63 N -1.10 0.68 -2.06 3.23 0.00 -1.25 -1.72 120.64 118.41 2oqs n GLU 63 Ca 0.54 0.00 -0.27 0.00 0.00 0.00 0.00 57.16 57.43 2oqs n GLU 63 Cb 1.54 -0.94 0.02 0.00 0.00 0.00 0.00 31.44 32.06 2oqs n GLU 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2oqs n GLU 64 N -1.36 3.42 -3.99 5.31 1.02 -1.26 -4.33 120.64 119.45 2oqs n GLU 64 Ca 0.00 -4.13 -0.08 0.00 -0.02 0.00 0.00 57.16 52.93 2oqs n GLU 64 Cb 0.00 -2.27 -0.09 0.00 -0.02 0.00 0.00 31.44 29.06 2oqs n GLU 64 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2oqs s VAL 65 N -4.90 0.19 0.34 2.62 -7.23 -1.26 -5.10 120.40 105.05 2oqs s VAL 65 Ca 0.52 -1.52 -0.06 0.00 -1.81 0.00 0.00 61.98 59.11 2oqs s VAL 65 Cb 0.42 -1.40 0.08 0.00 0.56 0.00 0.00 36.38 36.04 2oqs s VAL 65 CO -0.05 -0.84 0.32 0.35 -0.31 0.00 0.00 175.10 174.56 2oqs n THR 66 N 0.10 0.00 -0.09 5.32 -2.24 -1.26 -3.13 114.28 112.98 2oqs n THR 66 Ca -0.15 -0.15 -0.14 0.00 -2.27 0.00 0.00 64.05 61.34 2oqs n THR 66 Cb 0.61 -1.14 -0.04 0.00 -2.10 0.00 0.00 70.33 67.66 2oqs n THR 66 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2oqs h HIS 67 N -1.79 0.94 -0.94 4.78 2.76 -0.53 -2.78 115.15 117.59 2oqs h HIS 67 Ca -0.12 -0.31 0.13 0.00 -2.20 0.00 0.00 60.37 57.88 2oqs h HIS 67 Cb 0.35 -0.19 -0.09 0.00 1.55 0.00 0.00 27.41 29.04 2oqs h HIS 67 CO 0.00 1.09 0.56 1.05 -1.30 0.00 0.00 177.93 179.33 2oqs h GLU 68 N 0.52 0.82 -0.40 5.26 9.09 -1.93 0.10 114.58 128.04 2oqs h GLU 68 Ca 0.03 -0.05 -0.12 0.00 0.05 0.00 0.00 59.36 59.28 2oqs h GLU 68 Cb 0.97 -0.18 -0.01 0.00 -1.65 0.00 0.00 28.75 27.87 2oqs h GLU 68 CO 0.09 0.54 -0.22 0.93 0.05 0.00 0.00 179.01 180.40 2oqs h GLU 69 N 0.84 0.79 -0.13 1.06 3.07 -1.90 0.22 114.58 118.54 2oqs h GLU 69 Ca 0.49 -0.32 -0.00 0.00 -0.50 0.00 0.00 59.36 59.03 2oqs h GLU 69 Cb 0.58 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 2oqs h GLU 69 CO -0.30 0.94 0.08 0.00 -1.40 0.00 0.00 179.01 178.32 2oqs h ALA 70 N 1.06 0.16 -0.22 3.43 0.00 -0.77 -0.79 119.26 122.14 2oqs h ALA 70 Ca 0.10 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 2oqs h ALA 70 Cb 0.74 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2oqs h ALA 70 CO 0.06 -0.33 -0.54 0.28 0.00 0.00 0.00 179.25 178.72 2oqs h VAL 71 N 0.14 1.30 -0.12 0.00 2.07 -1.02 -2.99 116.25 115.63 2oqs h VAL 71 Ca 0.05 -1.75 -0.04 0.00 0.82 0.00 0.00 66.70 65.78 2oqs h VAL 71 Cb 0.03 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 2oqs h VAL 71 CO -0.01 0.55 -0.09 0.74 0.02 0.00 0.00 177.57 178.79 2oqs h THR 72 N 0.48 1.14 -0.08 2.57 2.02 -0.48 -1.39 112.91 117.16 2oqs h THR 72 Ca -0.01 -0.59 -0.18 0.00 0.77 0.00 0.00 66.41 66.40 2oqs h THR 72 Cb 1.15 1.15 0.01 0.00 -1.74 0.00 0.00 68.15 68.72 2oqs h THR 72 CO 0.12 0.19 -0.65 0.00 0.37 0.00 0.00 175.52 175.54 2oqs h ALA 73 N 1.74 0.19 0.00 6.16 0.00 -1.11 -0.31 119.26 125.93 2oqs h ALA 73 Ca 0.04 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.29 2oqs h ALA 73 Cb 0.27 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2oqs h ALA 73 CO 0.01 0.48 -0.47 -0.07 0.00 0.00 0.00 179.25 179.20 2oqs h LEU 74 N 0.20 0.00 0.00 0.00 4.07 -1.37 -3.12 115.31 115.09 2oqs h LEU 74 Ca -0.06 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.78 2oqs h LEU 74 Cb 1.31 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.03 2oqs h LEU 74 CO 0.13 0.47 -0.91 0.07 -1.08 0.00 0.00 178.44 177.13 2oqs h LYS 75 N 0.00 0.00 -4.50 1.13 2.10 -1.26 -3.41 116.57 110.63 2oqs h LYS 75 Ca -0.00 0.00 -0.64 0.00 -2.00 0.00 0.00 60.65 58.00 2oqs h LYS 75 Cb 1.05 0.00 0.04 0.00 -0.90 0.00 0.00 32.23 32.42 2oqs h LYS 75 CO 0.06 0.36 2.30 -1.71 -2.00 0.00 0.00 179.45 178.45 2oqs n ASN 76 N -3.04 2.62 -4.23 7.07 5.15 -0.13 -4.85 115.26 117.86 2oqs n ASN 76 Ca -0.03 -2.69 -0.13 0.00 -0.60 0.00 0.00 54.58 51.13 2oqs n ASN 76 Cb 0.76 -1.17 -0.10 0.00 -0.53 0.00 0.00 39.78 38.74 2oqs n ASN 76 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2oqs s THR 77 N 5.15 0.93 0.00 -0.44 -4.23 -1.26 -4.99 115.64 110.80 2oqs s THR 77 Ca 0.57 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 2oqs s THR 77 Cb 0.14 -1.87 0.00 0.00 1.34 0.00 0.00 72.50 72.10 2oqs s THR 77 CO 0.11 -0.71 0.00 -0.24 -0.54 0.00 0.00 174.62 173.23 2oqs n SER 78 N -0.17 0.00 -0.12 3.99 2.88 -1.26 -5.00 113.62 113.94 2oqs n SER 78 Ca -0.10 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.25 2oqs n SER 78 Cb 0.61 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.97 2oqs n SER 78 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2oqs n ASP 79 N -1.69 2.06 -4.34 -3.46 9.92 -1.26 -4.74 116.55 113.03 2oqs n ASP 79 Ca 0.00 0.02 -0.20 0.00 -0.53 0.00 0.00 54.79 54.08 2oqs n ASP 79 Cb 0.00 -0.48 -0.10 0.00 -0.64 0.00 0.00 41.12 39.90 2oqs n ASP 79 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2oqs s PHE 80 N -2.46 1.76 -0.07 1.24 0.40 -1.26 -0.65 117.98 116.95 2oqs s PHE 80 Ca -0.32 -1.10 -0.03 0.00 -0.60 0.00 0.00 56.93 54.88 2oqs s PHE 80 Cb 0.10 -1.10 0.04 0.00 0.51 0.00 0.00 43.02 42.57 2oqs s PHE 80 CO 0.50 -0.18 0.13 0.54 0.70 0.00 0.00 175.22 176.90 2oqs s VAL 81 N -3.48 -0.21 -0.59 -0.44 0.11 -0.43 -4.81 120.40 110.55 2oqs s VAL 81 Ca 0.36 0.37 -0.18 0.00 -2.93 0.00 0.00 61.98 59.60 2oqs s VAL 81 Cb 0.08 -0.25 0.12 0.00 -1.53 0.00 0.00 36.38 34.79 2oqs s VAL 81 CO 0.15 0.15 0.64 -0.47 -3.33 0.00 0.00 175.10 172.24 2oqs s TYR 82 N 2.25 3.12 -0.20 1.54 6.14 -1.26 -2.32 117.35 126.62 2oqs s TYR 82 Ca 0.04 -1.13 -0.18 0.00 0.64 0.00 0.00 57.07 56.44 2oqs s TYR 82 Cb -0.12 -3.94 -0.03 0.00 0.42 0.00 0.00 41.96 38.29 2oqs s TYR 82 CO -0.05 -1.19 0.49 -1.17 0.64 0.00 0.00 175.55 174.28 2oqs s LEU 83 N 2.19 4.14 -0.29 6.97 2.96 -0.59 -2.99 118.68 131.07 2oqs s LEU 83 Ca 0.09 0.64 -0.08 0.00 -0.22 0.00 0.00 54.13 54.56 2oqs s LEU 83 Cb -0.25 -2.67 -0.00 0.00 0.50 0.00 0.00 46.19 43.76 2oqs s LEU 83 CO 0.04 -0.17 0.10 -0.54 -1.32 0.00 0.00 176.35 174.47 2oqs s LYS 84 N 1.61 3.28 -0.07 1.98 -0.14 0.12 -2.33 119.74 124.19 2oqs s LYS 84 Ca 0.23 -0.74 0.03 0.00 -1.36 0.00 0.00 55.97 54.13 2oqs s LYS 84 Cb -0.15 -3.43 0.01 0.00 -1.68 0.00 0.00 37.83 32.57 2oqs s LYS 84 CO 0.09 -0.39 -0.17 0.14 -0.76 0.00 0.00 175.35 174.27 2oqs s VAL 85 N 1.56 1.48 0.17 3.17 -7.23 -1.26 0.14 120.40 118.43 2oqs s VAL 85 Ca 0.04 -0.69 0.02 0.00 -1.81 0.00 0.00 61.98 59.54 2oqs s VAL 85 Cb -0.17 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 2oqs s VAL 85 CO 0.04 0.43 0.32 0.00 -0.31 0.00 0.00 175.10 175.58 2oqs s ALA 86 N 0.46 3.93 -0.15 1.32 0.00 -1.17 -4.81 121.76 121.35 2oqs s ALA 86 Ca -0.14 -0.99 -0.09 0.00 0.00 0.00 0.00 51.96 50.74 2oqs s ALA 86 Cb -0.16 -1.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 2oqs s ALA 86 CO 0.05 0.49 0.15 0.21 0.00 0.00 0.00 175.76 176.66 2oqs s LYS 87 N -3.31 3.74 -0.03 0.00 2.20 -1.26 -4.28 119.74 116.80 2oqs s LYS 87 Ca 0.36 -0.14 -0.30 0.00 -0.36 0.00 0.00 55.97 55.53 2oqs s LYS 87 Cb -0.11 -3.28 -0.05 0.00 -1.51 0.00 0.00 37.83 32.88 2oqs s LYS 87 CO 0.29 0.59 1.40 -1.25 -0.36 0.00 0.00 175.35 176.02 2oqs s PRO 88 N -0.50 4.27 -0.40 4.03 0.04 -1.26 -4.98 135.00 136.20 2oqs s PRO 88 Ca 0.13 1.93 0.03 0.00 0.04 0.00 0.00 61.00 63.13 2oqs s PRO 88 Cb -0.12 -3.65 0.16 0.00 0.04 0.00 0.00 34.50 30.93 2oqs s PRO 88 CO 0.02 -0.62 0.32 0.95 0.04 0.00 0.00 177.00 177.72 2oqs s THR 89 N 2.74 0.18 -0.01 1.26 -4.23 -1.26 -4.93 115.64 109.38 2oqs s THR 89 Ca 0.63 -2.21 0.02 0.00 -1.18 0.00 0.00 61.69 58.95 2oqs s THR 89 Cb -0.30 -1.12 0.03 0.00 1.34 0.00 0.00 72.50 72.45 2oqs s THR 89 CO 0.25 -1.08 0.78 0.61 -0.54 0.00 0.00 174.62 174.65 2oqs n GLY 90 N 3.27 -0.40 0.06 3.99 0.00 -1.26 -4.87 105.19 105.98 2oqs n GLY 90 Ca 0.23 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 2oqs n GLY 90 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2oqs h SER 91 N 0.00 0.04 -0.01 1.61 0.02 -2.04 -3.58 113.55 109.58 2oqs h SER 91 Ca 0.00 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2oqs h SER 91 Cb 1.07 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.60 2oqs h SER 91 CO 0.00 0.39 0.00 1.41 -1.14 0.00 0.00 176.83 177.49