#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 2.89 -0.52 2.12 1.03 -1.26 -4.11 118.70 118.85 2oqs s GLU 2 Ca 0.00 -0.94 -0.17 0.00 0.03 0.00 0.00 54.97 53.89 2oqs s GLU 2 Cb 0.00 -2.92 0.08 0.00 -0.80 0.00 0.00 34.13 30.49 2oqs s GLU 2 CO 0.00 -0.36 0.55 0.42 -1.33 0.00 0.00 175.26 174.55 2oqs s ILE 3 N 1.33 5.02 -0.76 1.83 1.09 -0.88 -5.01 121.20 123.82 2oqs s ILE 3 Ca 0.01 -0.93 -0.13 0.00 -1.10 0.00 0.00 60.65 58.50 2oqs s ILE 3 Cb -0.16 -4.30 0.20 0.00 -1.06 0.00 0.00 42.46 37.14 2oqs s ILE 3 CO -0.06 -0.82 0.68 -0.75 -0.10 0.00 0.00 174.94 173.90 2oqs s LYS 4 N 2.18 3.37 -0.09 2.79 2.20 -1.26 -1.40 119.74 127.54 2oqs s LYS 4 Ca 0.09 -2.38 -0.20 0.00 -0.36 0.00 0.00 55.97 53.12 2oqs s LYS 4 Cb -0.24 -4.31 -0.04 0.00 -1.51 0.00 0.00 37.83 31.74 2oqs s LYS 4 CO 0.08 -1.28 0.58 -0.51 -0.36 0.00 0.00 175.35 173.86 2oqs s LEU 5 N 0.31 4.31 -0.16 5.43 1.43 -0.97 -4.93 118.68 124.09 2oqs s LEU 5 Ca 0.16 1.00 -0.21 0.00 -1.03 0.00 0.00 54.13 54.05 2oqs s LEU 5 Cb -0.14 -2.87 -0.03 0.00 0.03 0.00 0.00 46.19 43.18 2oqs s LEU 5 CO -0.07 -0.04 0.61 -0.51 0.23 0.00 0.00 176.35 176.58 2oqs s ILE 6 N 0.62 5.06 -0.05 -0.59 2.07 -1.26 -1.37 121.20 125.67 2oqs s ILE 6 Ca 0.31 1.18 -0.32 0.00 -1.41 0.00 0.00 60.65 60.42 2oqs s ILE 6 Cb -0.16 -3.94 -0.10 0.00 0.13 0.00 0.00 42.46 38.39 2oqs s ILE 6 CO 0.14 0.18 1.97 1.17 -1.91 0.00 0.00 174.94 176.49 2oqs n LYS 7 N 4.52 2.44 -2.27 3.50 3.00 -0.24 -4.95 118.16 124.16 2oqs n LYS 7 Ca -0.03 0.87 -0.03 0.00 -0.00 0.00 0.00 58.31 59.13 2oqs n LYS 7 Cb 0.50 -2.86 -0.01 0.00 0.00 0.00 0.00 35.03 32.66 2oqs n LYS 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2oqs n GLY 8 N 4.68 4.11 0.33 3.14 0.00 -1.26 -4.96 105.19 111.22 2oqs n GLY 8 Ca 0.23 -2.16 0.05 0.00 0.00 0.00 0.00 46.02 44.14 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 0.64 0.00 1.61 0.11 -2.03 -3.26 132.00 129.07 2oqs h PRO 9 Ca -0.04 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2oqs h PRO 9 Cb 0.13 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.09 2oqs h PRO 9 CO 0.07 0.43 -0.02 -0.22 -0.21 0.00 0.00 178.00 178.04 2oqs h LYS 10 N 0.66 0.00 0.00 1.05 3.64 -1.97 -3.51 116.57 116.44 2oqs h LYS 10 Ca 0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2oqs h LYS 10 Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2oqs h LYS 10 CO -0.06 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.53 2oqs n GLY 11 N 1.88 0.59 0.08 5.01 0.00 -1.23 -4.82 105.19 106.70 2oqs n GLY 11 Ca -0.00 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 2oqs n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2oqs h LEU 12 N 0.00 0.00 -0.37 0.99 3.38 -1.94 -3.38 115.31 114.00 2oqs h LEU 12 Ca 0.00 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2oqs h LEU 12 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2oqs h LEU 12 CO 0.00 1.05 0.00 0.61 0.09 0.00 0.00 178.44 180.19 2oqs n GLY 13 N 1.56 0.78 1.87 0.83 0.00 -1.26 0.45 105.19 109.42 2oqs n GLY 13 Ca -0.17 -0.67 -0.05 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.90 -1.67 -4.43 1.61 1.16 -1.26 0.77 117.46 110.74 2oqs n PHE 14 Ca 0.00 -0.94 -0.22 0.00 -1.87 0.00 0.00 57.45 54.43 2oqs n PHE 14 Cb 0.42 0.46 -0.10 0.00 -1.61 0.00 0.00 39.48 38.65 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 -2.04 2.19 0.23 5.98 1.04 0.18 -4.88 113.70 116.41 2oqs s SER 15 Ca 0.08 -1.49 -0.16 0.00 0.48 0.00 0.00 55.95 54.86 2oqs s SER 15 Cb -0.02 0.20 0.01 0.00 0.10 0.00 0.00 66.02 66.31 2oqs s SER 15 CO 0.06 -0.76 0.53 0.27 0.98 0.00 0.00 173.24 174.32 2oqs s ILE 16 N -3.39 0.01 0.16 -1.02 -0.00 -1.26 -2.44 121.20 113.27 2oqs s ILE 16 Ca 0.33 -1.09 0.03 0.00 -0.00 0.00 0.00 60.65 59.91 2oqs s ILE 16 Cb 0.06 -1.91 -0.05 0.00 -0.00 0.00 0.00 42.46 40.57 2oqs s ILE 16 CO 0.15 -0.06 -0.05 0.00 -0.00 0.00 0.00 174.94 174.98 2oqs s ALA 17 N -3.94 1.43 0.00 2.27 0.00 0.19 -4.72 121.76 116.99 2oqs s ALA 17 Ca 0.15 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.55 2oqs s ALA 17 Cb -0.02 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.39 2oqs s ALA 17 CO 0.04 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.00 2oqs n GLY 18 N -0.23 2.82 0.00 0.00 0.00 -0.83 -1.57 105.19 105.38 2oqs n GLY 18 Ca -0.08 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.22 2.63 3.76 -0.02 0.00 -0.86 0.16 105.19 110.63 2oqs n GLY 19 Ca 0.00 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.85 2.71 0.00 1.61 1.01 -1.26 0.11 120.40 121.73 2oqs s VAL 20 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.63 2oqs s VAL 20 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.97 2oqs s VAL 20 CO 0.00 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.84 2oqs n GLY 21 N 1.46 2.95 1.15 4.51 0.00 -1.26 -4.63 105.19 109.37 2oqs n GLY 21 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.08 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 0.62 -4.81 1.61 0.23 -0.96 -5.12 115.26 106.83 2oqs n ASN 22 Ca 0.00 -1.99 -0.32 0.00 -0.53 0.00 0.00 54.58 51.74 2oqs n ASN 22 Cb 0.00 -0.25 0.03 0.00 -2.08 0.00 0.00 39.78 37.48 2oqs n ASN 22 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2oqs s GLN 23 N 0.00 3.11 -0.14 -3.83 -2.07 0.30 -1.96 119.66 115.07 2oqs s GLN 23 Ca 0.22 1.10 0.08 0.00 -1.82 0.00 0.00 55.36 54.94 2oqs s GLN 23 Cb 0.25 -2.01 -0.23 0.00 -1.09 0.00 0.00 33.01 29.93 2oqs s GLN 23 CO -0.11 -0.97 0.28 1.58 -1.32 0.00 0.00 175.29 174.75 2oqs n HIS 24 N -2.55 0.60 -4.50 9.60 -0.00 -1.26 -4.73 115.22 112.38 2oqs n HIS 24 Ca 0.08 0.18 -0.23 0.00 -0.00 0.00 0.00 57.72 57.75 2oqs n HIS 24 Cb 0.53 -1.10 -0.16 0.00 -0.00 0.00 0.00 29.99 29.26 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 -2.55 1.00 0.08 3.57 -1.09 -1.25 -5.08 121.20 115.88 2oqs s ILE 25 Ca -0.15 -0.41 -0.31 0.00 -2.23 0.00 0.00 60.65 57.55 2oqs s ILE 25 Cb 0.07 -0.93 -0.11 0.00 -1.58 0.00 0.00 42.46 39.92 2oqs s ILE 25 CO 0.78 0.32 1.87 -0.81 -1.23 0.00 0.00 174.94 175.87 2oqs n PRO 26 N 3.81 2.71 0.00 2.79 -0.04 -1.26 -2.37 135.00 140.65 2oqs n PRO 26 Ca -0.23 0.99 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 2oqs n PRO 26 Cb 0.52 -2.89 0.00 0.00 -0.04 0.00 0.00 33.50 31.09 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 4.30 2.74 3.37 0.55 0.00 -1.26 -4.96 105.19 109.94 2oqs n GLY 27 Ca 0.19 -0.67 -0.45 0.00 0.00 0.00 0.00 46.02 45.10 2oqs n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2oqs s ASP 28 N 0.00 6.19 -0.03 1.61 2.15 -1.00 -4.92 116.67 120.67 2oqs s ASP 28 Ca 0.00 -1.43 0.01 0.00 0.43 0.00 0.00 52.55 51.56 2oqs s ASP 28 Cb 0.00 -2.29 0.07 0.00 -0.30 0.00 0.00 42.92 40.40 2oqs s ASP 28 CO 0.00 -1.05 0.82 0.59 -0.17 0.00 0.00 175.17 175.36 2oqs n ASN 29 N 6.15 2.14 -3.39 -0.34 3.02 -1.26 -3.91 115.26 117.67 2oqs n ASN 29 Ca -0.10 -2.11 -0.26 0.00 -0.03 0.00 0.00 54.58 52.08 2oqs n ASN 29 Cb 0.42 -0.52 0.22 0.00 -0.61 0.00 0.00 39.78 39.29 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 0.18 -2.06 -4.34 6.41 7.64 -1.25 -2.03 113.62 118.17 2oqs n SER 30 Ca 0.04 -1.05 -0.41 0.00 1.01 0.00 0.00 58.87 58.46 2oqs n SER 30 Cb 0.45 -0.86 -0.10 0.00 -1.01 0.00 0.00 64.21 62.69 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 -2.64 4.53 0.04 0.44 -1.09 -0.67 -4.08 121.20 117.72 2oqs s ILE 31 Ca 0.60 -1.04 0.01 0.00 -2.23 0.00 0.00 60.65 57.99 2oqs s ILE 31 Cb -0.06 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 2oqs s ILE 31 CO 0.47 -0.35 0.11 -0.31 -1.23 0.00 0.00 174.94 173.63 2oqs s TYR 32 N 1.52 3.32 -0.10 3.97 1.51 -0.61 -0.01 117.35 126.96 2oqs s TYR 32 Ca 0.02 0.19 -0.30 0.00 -1.01 0.00 0.00 57.07 55.97 2oqs s TYR 32 Cb -0.21 -1.71 -0.01 0.00 -0.11 0.00 0.00 41.96 39.92 2oqs s TYR 32 CO 0.05 0.56 1.03 0.08 -1.11 0.00 0.00 175.55 176.16 2oqs s VAL 33 N -1.33 4.72 -0.14 0.71 1.01 -1.21 0.54 120.40 124.71 2oqs s VAL 33 Ca 0.28 1.99 0.18 0.00 0.00 0.00 0.00 61.98 64.42 2oqs s VAL 33 Cb -0.12 -4.28 -0.24 0.00 0.00 0.00 0.00 36.38 31.73 2oqs s VAL 33 CO 0.20 0.00 0.35 0.35 0.00 0.00 0.00 175.10 176.00 2oqs n THR 34 N 4.55 1.13 -3.62 3.92 -2.24 -1.02 -3.85 114.28 113.15 2oqs n THR 34 Ca 0.09 -0.76 -0.03 0.00 -2.27 0.00 0.00 64.05 61.09 2oqs n THR 34 Cb 0.48 -0.49 -0.05 0.00 -2.10 0.00 0.00 70.33 68.17 2oqs n THR 34 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2oqs s LYS 35 N -2.77 0.57 -0.26 -0.78 1.02 -1.26 -4.97 119.74 111.29 2oqs s LYS 35 Ca -0.08 1.24 -0.10 0.00 0.02 0.00 0.00 55.97 57.05 2oqs s LYS 35 Cb 0.08 0.54 -0.05 0.00 -0.52 0.00 0.00 37.83 37.88 2oqs s LYS 35 CO 0.84 -0.16 0.17 0.42 -0.92 0.00 0.00 175.35 175.69 2oqs s ILE 36 N 2.33 5.21 0.43 2.17 1.01 -1.26 0.51 121.20 131.60 2oqs s ILE 36 Ca -0.07 0.13 -0.23 0.00 0.00 0.00 0.00 60.65 60.49 2oqs s ILE 36 Cb -0.08 -3.46 -0.09 0.00 0.01 0.00 0.00 42.46 38.84 2oqs s ILE 36 CO -0.19 0.29 1.04 -0.63 0.00 0.00 0.00 174.94 175.45 2oqs s ILE 37 N 1.53 3.78 0.54 2.92 1.09 0.23 -4.94 121.20 126.35 2oqs s ILE 37 Ca 0.07 1.26 -0.21 0.00 -1.10 0.00 0.00 60.65 60.66 2oqs s ILE 37 Cb -0.15 -3.60 -0.05 0.00 -1.06 0.00 0.00 42.46 37.60 2oqs s ILE 37 CO 0.08 -0.09 1.31 -1.61 -0.10 0.00 0.00 174.94 174.53 2oqs s GLU 38 N -2.79 3.20 -1.55 2.79 8.01 -1.26 -2.42 118.70 124.69 2oqs s GLU 38 Ca 0.61 2.11 0.00 0.00 0.01 0.00 0.00 54.97 57.71 2oqs s GLU 38 Cb -0.19 -2.24 0.00 0.00 -4.31 0.00 0.00 34.13 27.39 2oqs s GLU 38 CO 0.24 -1.10 0.00 0.41 0.01 0.00 0.00 175.26 174.82 2oqs n GLY 39 N 0.67 1.40 3.93 -1.39 0.00 -1.26 -4.97 105.19 103.57 2oqs n GLY 39 Ca 0.10 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.56 1.64 0.15 -0.02 0.00 -1.01 -4.81 107.32 100.72 2oqs s GLY 40 Ca 0.00 -0.87 -0.27 0.00 0.00 0.00 0.00 44.72 43.58 2oqs s GLY 40 CO 0.00 -0.58 1.57 0.00 0.00 0.00 0.00 173.10 174.09 2oqs h ALA 41 N -0.16 -0.44 -0.02 3.20 0.00 -0.18 0.30 119.26 121.96 2oqs h ALA 41 Ca -0.45 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2oqs h ALA 41 Cb 1.27 0.92 -0.00 0.00 0.00 0.00 0.00 17.79 19.98 2oqs h ALA 41 CO 0.59 -0.87 -0.01 0.00 0.00 0.00 0.00 179.25 178.96 2oqs h ALA 42 N 0.43 0.03 -0.72 0.00 0.00 -1.85 -1.21 119.26 115.94 2oqs h ALA 42 Ca 0.14 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 54.99 2oqs h ALA 42 Cb 0.58 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.26 2oqs h ALA 42 CO -0.60 -0.26 0.17 1.25 0.00 0.00 0.00 179.25 179.82 2oqs h HIS 43 N -0.35 0.26 -0.04 0.00 6.17 -1.70 0.13 115.15 119.63 2oqs h HIS 43 Ca 0.00 0.04 -0.21 0.00 0.71 0.00 0.00 60.37 60.91 2oqs h HIS 43 Cb 0.42 -0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.35 2oqs h HIS 43 CO 0.07 -0.08 -0.86 0.87 0.71 0.00 0.00 177.93 178.64 2oqs h LYS 44 N 0.27 0.45 0.18 5.26 1.57 -0.42 -3.31 116.57 120.56 2oqs h LYS 44 Ca 0.40 -0.43 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2oqs h LYS 44 Cb 0.67 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2oqs h LYS 44 CO -0.49 1.08 -0.09 0.22 -0.57 0.00 0.00 179.45 179.60 2oqs h ASP 45 N 0.28 -0.20 0.00 0.86 1.82 0.04 -3.47 116.42 115.74 2oqs h ASP 45 Ca -0.06 -0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.46 2oqs h ASP 45 Cb 1.48 0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.54 2oqs h ASP 45 CO 0.15 -0.01 0.00 0.61 -1.61 0.00 0.00 179.24 178.38 2oqs n GLY 46 N -0.77 2.86 0.13 -0.78 0.00 0.35 -4.89 105.19 102.09 2oqs n GLY 46 Ca -0.09 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 -0.07 -5.94 1.61 3.64 -1.92 -3.39 116.57 110.50 2oqs h LYS 47 Ca 0.00 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.80 2oqs h LYS 47 Cb 0.00 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.76 2oqs h LYS 47 CO 0.00 -0.04 0.65 -1.17 -2.27 0.00 0.00 179.45 176.61 2oqs s LEU 48 N -10.37 4.09 0.05 5.20 0.20 -1.26 -5.03 118.68 111.55 2oqs s LEU 48 Ca -0.14 1.22 0.04 0.00 0.69 0.00 0.00 54.13 55.95 2oqs s LEU 48 Cb 0.10 -3.38 -0.02 0.00 -0.43 0.00 0.00 46.19 42.46 2oqs s LEU 48 CO 0.68 -0.60 -0.12 0.00 -0.29 0.00 0.00 176.35 176.02 2oqs s GLN 49 N 3.02 0.79 0.20 1.98 0.00 -1.26 -4.67 119.66 119.71 2oqs s GLN 49 Ca 0.40 -0.79 -0.29 0.00 -0.00 0.00 0.00 55.36 54.68 2oqs s GLN 49 Cb -0.15 -0.75 -0.17 0.00 0.00 0.00 0.00 33.01 31.94 2oqs s GLN 49 CO 0.07 0.17 0.63 0.44 0.00 0.00 0.00 175.29 176.60 2oqs n ILE 50 N 1.68 1.83 0.00 3.63 -5.35 -1.26 -2.33 119.36 117.56 2oqs n ILE 50 Ca -0.20 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 61.83 2oqs n ILE 50 Cb 0.55 -0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.31 2oqs n ILE 50 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2oqs n GLY 51 N 1.88 3.38 3.80 3.28 0.00 -1.25 -5.05 105.19 111.22 2oqs n GLY 51 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.03 5.90 0.07 1.61 1.47 -0.98 -4.93 116.67 118.79 2oqs s ASP 52 Ca 0.00 1.90 0.05 0.00 1.18 0.00 0.00 52.55 55.68 2oqs s ASP 52 Cb 0.00 -2.55 -0.04 0.00 -0.34 0.00 0.00 42.92 39.99 2oqs s ASP 52 CO 0.00 -1.08 -0.04 -1.59 0.68 0.00 0.00 175.17 173.14 2oqs s LYS 53 N -3.72 2.46 -0.39 2.11 0.00 -1.26 -3.32 119.74 115.62 2oqs s LYS 53 Ca 0.66 -0.85 -0.20 0.00 0.00 0.00 0.00 55.97 55.58 2oqs s LYS 53 Cb -0.17 -2.48 0.01 0.00 0.00 0.00 0.00 37.83 35.18 2oqs s LYS 53 CO 0.31 0.55 0.60 -0.51 0.00 0.00 0.00 175.35 176.30 2oqs s LEU 54 N -2.08 4.41 -0.08 2.77 1.43 0.99 -1.08 118.68 125.04 2oqs s LEU 54 Ca 0.23 -0.14 -0.24 0.00 -1.03 0.00 0.00 54.13 52.94 2oqs s LEU 54 Cb -0.11 -2.69 -0.20 0.00 0.03 0.00 0.00 46.19 43.21 2oqs s LEU 54 CO 0.15 -0.64 0.89 0.25 0.23 0.00 0.00 176.35 177.23 2oqs h LEU 55 N 9.42 -0.05 -7.08 1.79 6.46 -0.08 -3.30 115.31 122.47 2oqs h LEU 55 Ca -0.26 -0.62 -0.03 0.00 -0.12 0.00 0.00 57.88 56.84 2oqs h LEU 55 Cb 1.11 0.01 -0.13 0.00 -0.73 0.00 0.00 40.66 40.92 2oqs h LEU 55 CO 0.84 0.66 0.15 0.00 -0.62 0.00 0.00 178.44 179.46 2oqs s ALA 56 N -3.21 -1.48 -0.16 1.25 0.00 -0.54 -0.75 121.76 116.87 2oqs s ALA 56 Ca -0.15 0.49 -0.04 0.00 0.00 0.00 0.00 51.96 52.25 2oqs s ALA 56 Cb -0.01 0.73 0.08 0.00 0.00 0.00 0.00 23.12 23.92 2oqs s ALA 56 CO 0.59 -0.69 0.22 0.14 0.00 0.00 0.00 175.76 176.02 2oqs s VAL 57 N -3.40 -0.34 -0.94 0.00 -7.23 0.32 0.92 120.40 109.74 2oqs s VAL 57 Ca -0.00 0.08 -0.05 0.00 -1.81 0.00 0.00 61.98 60.20 2oqs s VAL 57 Cb -0.00 -0.54 0.01 0.00 0.56 0.00 0.00 36.38 36.40 2oqs s VAL 57 CO -0.10 -0.05 0.82 0.59 -0.31 0.00 0.00 175.10 176.05 2oqs n ASN 58 N 5.33 -4.60 0.00 4.85 3.02 -0.89 -2.69 115.26 120.28 2oqs n ASN 58 Ca -0.05 -0.39 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 2oqs n ASN 58 Cb 0.50 -3.72 0.00 0.00 -0.61 0.00 0.00 39.78 35.95 2oqs n ASN 58 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2oqs n ASN 59 N -1.83 0.00 -4.87 6.41 5.15 -1.26 -5.02 115.26 113.84 2oqs n ASN 59 Ca -0.03 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.61 2oqs n ASN 59 Cb 0.56 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.75 2oqs n ASN 59 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2oqs s VAL 60 N -1.87 5.07 0.08 3.44 -7.23 -1.09 -5.07 120.40 113.74 2oqs s VAL 60 Ca 0.00 0.43 -0.28 0.00 -1.81 0.00 0.00 61.98 60.33 2oqs s VAL 60 Cb 0.00 -3.65 -0.06 0.00 0.56 0.00 0.00 36.38 33.24 2oqs s VAL 60 CO 0.00 0.23 0.88 0.00 -0.31 0.00 0.00 175.10 175.90 2oqs n LEU 62 N 2.81 5.85 -0.01 0.00 7.94 0.07 -4.39 117.00 129.27 2oqs n LEU 62 Ca 0.00 -3.48 0.03 0.00 -1.11 0.00 0.00 56.01 51.45 2oqs n LEU 62 Cb 0.50 -0.75 -0.07 0.00 0.53 0.00 0.00 43.42 43.63 2oqs n LEU 62 CO 0.49 0.99 -0.63 -0.62 -1.11 0.00 0.00 177.39 176.51 2oqs n GLU 63 N -0.78 0.71 -2.58 1.96 1.02 -1.24 -1.67 120.64 118.05 2oqs n GLU 63 Ca 0.46 -0.07 -0.25 0.00 -0.02 0.00 0.00 57.16 57.28 2oqs n GLU 63 Cb 1.41 -1.21 -0.00 0.00 -0.02 0.00 0.00 31.44 31.62 2oqs n GLU 63 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2oqs n GLU 64 N -1.90 3.13 -3.94 3.49 0.28 -1.26 -3.94 120.64 116.50 2oqs n GLU 64 Ca -0.04 -4.42 -0.09 0.00 -0.16 0.00 0.00 57.16 52.45 2oqs n GLU 64 Cb 0.33 -2.14 -0.09 0.00 1.43 0.00 0.00 31.44 30.97 2oqs n GLU 64 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2oqs s VAL 65 N -5.07 0.13 1.25 3.84 -7.23 -1.26 -5.10 120.40 106.96 2oqs s VAL 65 Ca 0.46 -1.11 -0.21 0.00 -1.81 0.00 0.00 61.98 59.31 2oqs s VAL 65 Cb 0.39 -0.87 0.31 0.00 0.56 0.00 0.00 36.38 36.77 2oqs s VAL 65 CO -0.16 -0.61 1.05 0.35 -0.31 0.00 0.00 175.10 175.42 2oqs n THR 66 N 0.81 0.00 -0.20 5.32 -2.24 -1.26 -3.36 114.28 113.35 2oqs n THR 66 Ca -0.19 -0.40 -0.09 0.00 -2.27 0.00 0.00 64.05 61.10 2oqs n THR 66 Cb 0.58 -1.20 0.02 0.00 -2.10 0.00 0.00 70.33 67.63 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 -2.86 1.01 -0.29 4.78 2.76 -0.60 -2.73 115.15 117.22 2oqs h HIS 67 Ca -0.40 -0.14 0.06 0.00 -2.20 0.00 0.00 60.37 57.69 2oqs h HIS 67 Cb 1.25 -0.28 -0.08 0.00 1.55 0.00 0.00 27.41 29.86 2oqs h HIS 67 CO 0.00 0.88 -0.35 0.93 -1.30 0.00 0.00 177.93 178.09 2oqs h GLU 68 N 0.84 -0.32 -0.39 5.26 5.08 -1.92 0.14 114.58 123.26 2oqs h GLU 68 Ca 0.17 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.60 2oqs h GLU 68 Cb 0.42 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2oqs h GLU 68 CO 0.01 -0.21 0.26 1.49 -1.00 0.00 0.00 179.01 179.56 2oqs h GLU 69 N -0.33 0.31 -0.46 2.33 4.22 -1.90 0.46 114.58 119.21 2oqs h GLU 69 Ca 0.13 -0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.52 2oqs h GLU 69 Cb 0.56 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2oqs h GLU 69 CO -0.47 0.20 0.16 0.00 -2.18 0.00 0.00 179.01 176.72 2oqs h ALA 70 N 1.79 0.60 0.14 2.92 0.00 -0.48 0.86 119.26 125.09 2oqs h ALA 70 Ca 0.17 -0.17 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 2oqs h ALA 70 Cb 0.27 -0.18 0.03 0.00 0.00 0.00 0.00 17.79 17.91 2oqs h ALA 70 CO -0.04 0.24 -1.25 0.28 0.00 0.00 0.00 179.25 178.48 2oqs h VAL 71 N 0.61 1.29 -0.35 0.00 2.07 -0.24 -2.87 116.25 116.76 2oqs h VAL 71 Ca 0.15 -2.48 -0.05 0.00 0.82 0.00 0.00 66.70 65.13 2oqs h VAL 71 Cb 0.24 2.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 2oqs h VAL 71 CO -0.01 0.75 -0.01 0.74 0.02 0.00 0.00 177.57 179.06 2oqs h THR 72 N 0.22 1.21 -0.15 2.57 2.02 -0.08 0.30 112.91 119.00 2oqs h THR 72 Ca -0.20 -0.83 -0.21 0.00 0.77 0.00 0.00 66.41 65.95 2oqs h THR 72 Cb 1.93 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 2oqs h THR 72 CO 0.24 0.28 -0.74 0.00 0.37 0.00 0.00 175.52 175.68 2oqs h ALA 73 N 1.47 0.42 -0.14 6.16 0.00 -0.89 0.08 119.26 126.36 2oqs h ALA 73 Ca 0.11 -0.59 -0.17 0.00 0.00 0.00 0.00 54.91 54.26 2oqs h ALA 73 Cb 0.36 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2oqs h ALA 73 CO 0.01 0.71 -0.64 -0.07 0.00 0.00 0.00 179.25 179.26 2oqs h LEU 74 N 0.47 0.58 -0.71 0.00 -0.00 -1.25 -3.10 115.31 111.30 2oqs h LEU 74 Ca -0.04 -0.34 -0.12 0.00 -0.00 0.00 0.00 57.88 57.38 2oqs h LEU 74 Cb 1.34 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 41.82 2oqs h LEU 74 CO 0.15 1.07 -0.55 0.50 -0.00 0.00 0.00 178.44 179.60 2oqs h LYS 75 N 0.37 0.00 -4.37 1.13 3.64 -0.35 -3.38 116.57 113.60 2oqs h LYS 75 Ca -0.01 0.00 -0.63 0.00 -1.27 0.00 0.00 60.65 58.73 2oqs h LYS 75 Cb 1.20 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 33.07 2oqs h LYS 75 CO 0.12 0.55 2.36 -1.71 -2.27 0.00 0.00 179.45 178.50 2oqs n ASN 76 N -3.61 2.76 -4.15 4.20 5.15 0.01 -4.86 115.26 114.76 2oqs n ASN 76 Ca -0.00 -2.66 -0.26 0.00 -0.60 0.00 0.00 54.58 51.06 2oqs n ASN 76 Cb 0.61 -1.13 -0.16 0.00 -0.53 0.00 0.00 39.78 38.57 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 4.79 1.42 0.00 -0.44 -4.23 -1.26 -5.00 115.64 110.92 2oqs s THR 77 Ca 0.55 -0.73 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 2oqs s THR 77 Cb 0.14 -1.20 0.00 0.00 1.34 0.00 0.00 72.50 72.78 2oqs s THR 77 CO 0.10 0.41 0.00 -1.20 -0.54 0.00 0.00 174.62 173.38 2oqs n SER 78 N 2.97 0.00 -0.12 3.99 7.64 -1.26 -4.99 113.62 121.85 2oqs n SER 78 Ca -0.17 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.45 2oqs n SER 78 Cb 0.53 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.63 2oqs n SER 78 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2oqs n ASP 79 N -0.85 1.94 -4.38 6.43 2.03 -1.26 -4.72 116.55 115.74 2oqs n ASP 79 Ca 0.00 0.32 -0.20 0.00 0.52 0.00 0.00 54.79 55.43 2oqs n ASP 79 Cb 0.00 -0.83 -0.10 0.00 -0.72 0.00 0.00 41.12 39.47 2oqs n ASP 79 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2oqs s PHE 80 N -2.47 1.79 -0.07 -0.67 5.36 -1.26 -1.08 117.98 119.57 2oqs s PHE 80 Ca -0.35 -1.06 -0.03 0.00 -0.96 0.00 0.00 56.93 54.53 2oqs s PHE 80 Cb 0.12 -1.12 0.04 0.00 -0.34 0.00 0.00 43.02 41.72 2oqs s PHE 80 CO 0.54 -0.14 0.13 0.54 -1.46 0.00 0.00 175.22 174.82 2oqs s VAL 81 N -3.48 -0.21 -0.60 3.12 0.11 -0.47 -4.85 120.40 114.01 2oqs s VAL 81 Ca 0.37 0.37 -0.18 0.00 -2.93 0.00 0.00 61.98 59.61 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 0.67 -0.47 -3.33 0.00 0.00 175.10 172.27 2oqs s TYR 82 N 2.25 3.10 -0.20 1.54 5.04 -1.26 -2.30 117.35 125.52 2oqs s TYR 82 Ca 0.04 -1.10 -0.16 0.00 -2.44 0.00 0.00 57.07 53.40 2oqs s TYR 82 Cb -0.12 -3.96 -0.04 0.00 0.35 0.00 0.00 41.96 38.19 2oqs s TYR 82 CO -0.05 -1.22 0.42 -1.17 -1.34 0.00 0.00 175.55 172.19 2oqs s LEU 83 N 2.30 4.15 -0.17 6.97 0.20 -0.49 -2.10 118.68 129.53 2oqs s LEU 83 Ca 0.10 0.54 -0.03 0.00 0.69 0.00 0.00 54.13 55.43 2oqs s LEU 83 Cb -0.25 -2.54 -0.02 0.00 -0.43 0.00 0.00 46.19 42.95 2oqs s LEU 83 CO 0.04 -0.09 -0.06 -0.54 -0.29 0.00 0.00 176.35 175.41 2oqs s LYS 84 N 1.35 3.49 -0.07 1.98 -0.14 0.26 -2.07 119.74 124.55 2oqs s LYS 84 Ca 0.20 -0.60 0.05 0.00 -1.36 0.00 0.00 55.97 54.26 2oqs s LYS 84 Cb -0.15 -2.88 -0.01 0.00 -1.68 0.00 0.00 37.83 33.12 2oqs s LYS 84 CO 0.08 0.08 -0.24 0.14 -0.76 0.00 0.00 175.35 174.65 2oqs s VAL 85 N 0.77 2.01 0.34 3.17 -7.23 -1.26 0.63 120.40 118.83 2oqs s VAL 85 Ca -0.02 -1.03 -0.12 0.00 -1.81 0.00 0.00 61.98 59.00 2oqs s VAL 85 Cb -0.15 -1.71 -0.07 0.00 0.56 0.00 0.00 36.38 35.00 2oqs s VAL 85 CO 0.02 0.56 0.71 0.00 -0.31 0.00 0.00 175.10 176.07 2oqs s ALA 86 N -0.02 3.39 -0.17 1.32 0.00 -0.24 -4.66 121.76 121.37 2oqs s ALA 86 Ca -0.08 -0.14 -0.04 0.00 0.00 0.00 0.00 51.96 51.70 2oqs s ALA 86 Cb -0.15 -2.66 -0.03 0.00 0.00 0.00 0.00 23.12 20.28 2oqs s ALA 86 CO 0.05 0.22 -0.02 0.15 0.00 0.00 0.00 175.76 176.16 2oqs s LYS 87 N -3.32 3.67 0.32 0.00 -0.14 -1.26 -4.02 119.74 114.98 2oqs s LYS 87 Ca 0.51 -0.51 -0.29 0.00 -1.36 0.00 0.00 55.97 54.32 2oqs s LYS 87 Cb -0.10 -2.97 -0.11 0.00 -1.68 0.00 0.00 37.83 32.96 2oqs s LYS 87 CO 0.24 0.18 1.46 -1.25 -0.76 0.00 0.00 175.35 175.22 2oqs s PRO 88 N 0.54 4.20 -0.42 -1.68 0.04 -1.26 -5.00 135.00 131.43 2oqs s PRO 88 Ca -0.02 2.43 0.06 0.00 0.04 0.00 0.00 61.00 63.52 2oqs s PRO 88 Cb -0.14 -3.04 0.18 0.00 0.04 0.00 0.00 34.50 31.54 2oqs s PRO 88 CO 0.02 -0.46 0.57 0.99 0.04 0.00 0.00 177.00 178.17 2oqs s THR 89 N -0.60 -0.78 0.18 1.26 2.01 -1.26 -5.15 115.64 111.30 2oqs s THR 89 Ca 0.56 -0.52 -0.30 0.00 0.31 0.00 0.00 61.69 61.74 2oqs s THR 89 Cb -0.44 -0.21 -0.07 0.00 0.01 0.00 0.00 72.50 71.78 2oqs s THR 89 CO 0.53 -0.20 0.94 -0.83 -0.69 0.00 0.00 174.62 174.37 2oqs s GLY 90 N 1.50 3.06 -0.05 4.40 0.00 -1.26 -4.98 107.32 109.99 2oqs s GLY 90 Ca 0.19 0.59 -0.25 0.00 0.00 0.00 0.00 44.72 45.25 2oqs s GLY 90 CO -0.06 1.30 1.04 0.23 0.00 0.00 0.00 173.10 175.62 2oqs h SER 91 N 4.84 0.18 -0.00 1.64 0.87 -2.06 -3.58 113.55 115.45 2oqs h SER 91 Ca -0.44 -0.75 0.00 0.00 -1.23 0.00 0.00 61.79 59.37 2oqs h SER 91 Cb 1.21 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 2oqs h SER 91 CO 0.70 0.91 0.00 1.57 -0.53 0.00 0.00 176.83 179.48