#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 1.30 -0.01 0.03 1.03 -1.26 -0.35 118.70 119.44 2oqs s GLU 2 Ca 0.00 -1.55 -0.01 0.00 0.03 0.00 0.00 54.97 53.44 2oqs s GLU 2 Cb 0.00 -1.10 -0.00 0.00 -0.80 0.00 0.00 34.13 32.23 2oqs s GLU 2 CO 0.00 0.19 0.02 0.42 -1.33 0.00 0.00 175.26 174.56 2oqs s ILE 3 N -2.87 0.02 -0.80 1.83 1.09 -0.76 -5.01 121.20 114.70 2oqs s ILE 3 Ca 0.21 -0.13 -0.15 0.00 -1.10 0.00 0.00 60.65 59.48 2oqs s ILE 3 Cb -0.01 -0.08 0.19 0.00 -1.06 0.00 0.00 42.46 41.49 2oqs s ILE 3 CO 0.06 -0.07 0.80 -0.75 -0.10 0.00 0.00 174.94 174.88 2oqs s LYS 4 N -0.20 3.50 -0.17 2.79 2.47 -1.26 -2.60 119.74 124.27 2oqs s LYS 4 Ca -0.02 -2.17 -0.22 0.00 -1.56 0.00 0.00 55.97 52.00 2oqs s LYS 4 Cb -0.02 -4.49 -0.03 0.00 -1.46 0.00 0.00 37.83 31.83 2oqs s LYS 4 CO -0.00 -1.40 0.66 -0.51 0.16 0.00 0.00 175.35 174.25 2oqs s LEU 5 N 0.96 4.18 -0.33 5.43 1.43 -0.66 -4.98 118.68 124.71 2oqs s LEU 5 Ca 0.19 0.93 -0.23 0.00 -1.03 0.00 0.00 54.13 53.99 2oqs s LEU 5 Cb -0.12 -2.95 0.00 0.00 0.03 0.00 0.00 46.19 43.15 2oqs s LEU 5 CO -0.07 -0.25 0.75 -0.63 0.23 0.00 0.00 176.35 176.38 2oqs s ILE 6 N 1.70 4.81 -0.06 -0.59 1.09 -1.26 -0.69 121.20 126.19 2oqs s ILE 6 Ca 0.31 0.97 -0.29 0.00 -1.10 0.00 0.00 60.65 60.54 2oqs s ILE 6 Cb -0.16 -4.14 -0.07 0.00 -1.06 0.00 0.00 42.46 37.03 2oqs s ILE 6 CO 0.12 -0.30 1.95 -0.75 -0.10 0.00 0.00 174.94 175.85 2oqs s LYS 7 N 2.92 3.88 0.45 2.79 2.47 -0.96 -4.96 119.74 126.33 2oqs s LYS 7 Ca 0.30 2.32 0.07 0.00 -1.56 0.00 0.00 55.97 57.10 2oqs s LYS 7 Cb -0.14 -4.17 -0.02 0.00 -1.46 0.00 0.00 37.83 32.04 2oqs s LYS 7 CO 0.14 -1.24 0.29 0.20 0.16 0.00 0.00 175.35 174.90 2oqs s GLY 8 N 5.14 2.33 0.37 5.54 0.00 -1.26 -4.92 107.32 114.52 2oqs s GLY 8 Ca 0.87 -1.74 0.09 0.00 0.00 0.00 0.00 44.72 43.95 2oqs s GLY 8 CO 0.37 -1.88 1.89 -2.55 0.00 0.00 0.00 173.10 170.93 2oqs h PRO 9 N 1.13 0.64 0.08 2.90 0.11 -2.00 -3.10 132.00 131.77 2oqs h PRO 9 Ca -0.41 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 2oqs h PRO 9 Cb 1.27 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2oqs h PRO 9 CO 0.63 0.43 -0.04 0.87 -0.21 0.00 0.00 178.00 179.68 2oqs h LYS 10 N 0.66 -0.11 0.00 1.05 1.79 -1.98 -3.50 116.57 114.49 2oqs h LYS 10 Ca 0.42 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.89 2oqs h LYS 10 Cb 0.67 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 2oqs h LYS 10 CO -0.18 -0.07 0.00 0.41 -1.08 0.00 0.00 179.45 178.53 2oqs n GLY 11 N -0.30 0.54 0.09 3.86 0.00 -1.17 -4.90 105.19 103.31 2oqs n GLY 11 Ca -0.01 -0.98 -0.16 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.55 0.99 3.38 -1.92 -3.37 115.31 113.84 2oqs h LEU 12 Ca 0.00 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.49 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 1.20 0.00 0.61 0.09 0.00 0.00 178.44 180.34 2oqs n GLY 13 N 1.52 0.76 1.75 0.83 0.00 -1.26 0.63 105.19 109.42 2oqs n GLY 13 Ca -0.21 -0.72 -0.04 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.95 -1.61 -4.44 1.61 1.16 -1.26 0.85 117.46 110.82 2oqs n PHE 14 Ca 0.00 -0.85 -0.21 0.00 -1.87 0.00 0.00 57.45 54.51 2oqs n PHE 14 Cb 0.47 0.43 -0.10 0.00 -1.61 0.00 0.00 39.48 38.67 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 -1.97 2.21 0.25 5.98 1.04 0.13 -4.88 113.70 116.46 2oqs s SER 15 Ca 0.07 -1.44 -0.16 0.00 0.48 0.00 0.00 55.95 54.90 2oqs s SER 15 Cb -0.02 0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.20 2oqs s SER 15 CO 0.05 -0.70 0.56 0.27 0.98 0.00 0.00 173.24 174.40 2oqs s ILE 16 N -3.38 0.01 0.16 -1.02 -0.00 -1.26 -2.40 121.20 113.31 2oqs s ILE 16 Ca 0.34 -1.15 0.02 0.00 -0.00 0.00 0.00 60.65 59.85 2oqs s ILE 16 Cb 0.07 -2.01 -0.05 0.00 -0.00 0.00 0.00 42.46 40.47 2oqs s ILE 16 CO 0.15 -0.03 -0.01 0.00 -0.00 0.00 0.00 174.94 175.06 2oqs s ALA 17 N -3.96 1.29 0.00 2.27 0.00 0.14 -4.75 121.76 116.75 2oqs s ALA 17 Ca 0.16 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.57 2oqs s ALA 17 Cb -0.02 0.51 0.00 0.00 0.00 0.00 0.00 23.12 23.60 2oqs s ALA 17 CO 0.06 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.92 2oqs n GLY 18 N -0.21 2.86 0.00 0.00 0.00 -1.09 -1.68 105.19 105.07 2oqs n GLY 18 Ca -0.07 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.27 2.43 3.77 -0.02 0.00 -0.95 0.45 105.19 110.60 2oqs n GLY 19 Ca 0.00 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 2oqs n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oqs s VAL 20 N -2.95 2.52 0.00 1.61 0.11 -1.26 -0.20 120.40 120.22 2oqs s VAL 20 Ca 0.00 0.52 0.00 0.00 -2.93 0.00 0.00 61.98 59.57 2oqs s VAL 20 Cb 0.00 -3.33 0.00 0.00 -1.53 0.00 0.00 36.38 31.52 2oqs s VAL 20 CO 0.00 0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.50 2oqs n GLY 21 N 0.69 2.95 0.60 6.54 0.00 -1.26 -4.66 105.19 110.05 2oqs n GLY 21 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 0.54 -4.71 1.61 0.23 -0.93 -5.11 115.26 106.88 2oqs n ASN 22 Ca 0.00 -2.21 -0.40 0.00 -0.53 0.00 0.00 54.58 51.43 2oqs n ASN 22 Cb 0.00 -0.26 0.02 0.00 -2.08 0.00 0.00 39.78 37.46 2oqs n ASN 22 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2oqs n GLN 23 N -0.16 1.94 -0.02 -3.83 3.00 0.72 -2.67 117.38 116.36 2oqs n GLN 23 Ca 0.04 0.69 -0.08 0.00 -0.01 0.00 0.00 57.00 57.64 2oqs n GLN 23 Cb 0.76 -2.43 -0.14 0.00 0.00 0.00 0.00 30.24 28.44 2oqs n GLN 23 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 2oqs n HIS 24 N -0.31 0.91 -3.81 1.08 -0.00 -1.26 -4.83 115.22 106.99 2oqs n HIS 24 Ca 0.07 0.33 -0.18 0.00 0.46 0.00 0.00 57.72 58.40 2oqs n HIS 24 Cb 0.40 -1.16 -0.17 0.00 -0.12 0.00 0.00 29.99 28.95 2oqs n HIS 24 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 2oqs s ILE 25 N -2.63 0.06 0.12 3.57 -1.09 -1.26 -5.07 121.20 114.90 2oqs s ILE 25 Ca -0.05 0.20 -0.32 0.00 -2.23 0.00 0.00 60.65 58.25 2oqs s ILE 25 Cb 0.08 -0.21 -0.11 0.00 -1.58 0.00 0.00 42.46 40.63 2oqs s ILE 25 CO 0.82 0.15 1.79 -0.81 -1.23 0.00 0.00 174.94 175.67 2oqs n PRO 26 N 4.49 2.64 0.00 2.79 -0.04 -1.26 -2.50 135.00 141.12 2oqs n PRO 26 Ca -0.20 0.96 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 2oqs n PRO 26 Cb 0.50 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.13 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 4.11 3.10 3.27 0.55 0.00 -1.26 -5.02 105.19 109.95 2oqs n GLY 27 Ca 0.18 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 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 4.73 -0.03 1.61 1.01 -1.04 -4.97 116.67 117.97 2oqs s ASP 28 Ca 0.00 -0.78 0.02 0.00 0.71 0.00 0.00 52.55 52.49 2oqs s ASP 28 Cb 0.00 -1.77 0.10 0.00 1.01 0.00 0.00 42.92 42.26 2oqs s ASP 28 CO 0.00 -0.16 0.70 0.59 0.21 0.00 0.00 175.17 176.52 2oqs n ASN 29 N 4.77 1.75 -3.49 0.27 4.13 -1.26 -4.24 115.26 117.18 2oqs n ASN 29 Ca -0.15 -2.13 -0.29 0.00 1.68 0.00 0.00 54.58 53.69 2oqs n ASN 29 Cb 0.48 -0.53 0.24 0.00 -1.54 0.00 0.00 39.78 38.43 2oqs n ASN 29 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2oqs n SER 30 N 0.10 -2.13 -4.38 6.41 7.64 -1.26 -2.24 113.62 117.77 2oqs n SER 30 Ca 0.04 -1.13 -0.41 0.00 1.01 0.00 0.00 58.87 58.38 2oqs n SER 30 Cb 0.40 -0.96 -0.11 0.00 -1.01 0.00 0.00 64.21 62.54 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 -2.86 4.71 0.02 0.44 -1.09 -0.52 -4.08 121.20 117.83 2oqs s ILE 31 Ca 0.68 -0.91 0.01 0.00 -2.23 0.00 0.00 60.65 58.20 2oqs s ILE 31 Cb -0.07 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 2oqs s ILE 31 CO 0.52 -0.31 0.05 -0.31 -1.23 0.00 0.00 174.94 173.66 2oqs s TYR 32 N 1.57 3.19 -0.04 3.97 1.51 -0.68 0.63 117.35 127.50 2oqs s TYR 32 Ca 0.03 0.14 -0.30 0.00 -1.01 0.00 0.00 57.07 55.92 2oqs s TYR 32 Cb -0.20 -1.69 -0.02 0.00 -0.11 0.00 0.00 41.96 39.94 2oqs s TYR 32 CO 0.07 0.52 1.01 0.08 -1.11 0.00 0.00 175.55 176.12 2oqs s VAL 33 N -1.20 4.76 -0.18 0.71 1.01 -1.21 0.27 120.40 124.57 2oqs s VAL 33 Ca 0.23 2.00 0.19 0.00 0.00 0.00 0.00 61.98 64.40 2oqs s VAL 33 Cb -0.12 -4.28 -0.26 0.00 0.00 0.00 0.00 36.38 31.72 2oqs s VAL 33 CO 0.14 0.09 0.13 0.35 0.00 0.00 0.00 175.10 175.81 2oqs n THR 34 N 4.19 1.19 -3.65 3.92 -2.24 -1.01 -3.14 114.28 113.55 2oqs n THR 34 Ca 0.07 -0.81 -0.03 0.00 -2.27 0.00 0.00 64.05 61.02 2oqs n THR 34 Cb 0.50 -0.40 -0.05 0.00 -2.10 0.00 0.00 70.33 68.28 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 -2.63 0.61 -0.27 -0.78 1.02 -1.26 -4.97 119.74 111.46 2oqs s LYS 35 Ca -0.10 1.40 -0.12 0.00 0.02 0.00 0.00 55.97 57.17 2oqs s LYS 35 Cb 0.07 0.69 -0.05 0.00 -0.52 0.00 0.00 37.83 38.03 2oqs s LYS 35 CO 0.84 -0.19 0.25 0.42 -0.92 0.00 0.00 175.35 175.75 2oqs s ILE 36 N 2.58 5.28 0.42 2.17 1.01 -1.26 0.22 121.20 131.62 2oqs s ILE 36 Ca -0.07 0.31 -0.22 0.00 0.00 0.00 0.00 60.65 60.66 2oqs s ILE 36 Cb -0.10 -3.58 -0.09 0.00 0.01 0.00 0.00 42.46 38.69 2oqs s ILE 36 CO -0.19 0.24 1.01 -0.63 0.00 0.00 0.00 174.94 175.37 2oqs s ILE 37 N 1.72 3.94 0.48 2.92 1.09 0.25 -4.94 121.20 126.65 2oqs s ILE 37 Ca 0.10 1.35 -0.24 0.00 -1.10 0.00 0.00 60.65 60.76 2oqs s ILE 37 Cb -0.16 -3.63 -0.07 0.00 -1.06 0.00 0.00 42.46 37.54 2oqs s ILE 37 CO 0.10 -0.12 1.36 -0.70 -0.10 0.00 0.00 174.94 175.48 2oqs s GLU 38 N -2.81 3.54 -1.66 2.79 2.12 -1.26 -2.48 118.70 118.94 2oqs s GLU 38 Ca 0.61 2.26 0.00 0.00 0.36 0.00 0.00 54.97 58.19 2oqs s GLU 38 Cb -0.17 -2.51 0.00 0.00 0.26 0.00 0.00 34.13 31.71 2oqs s GLU 38 CO 0.22 -0.87 0.00 0.41 -0.54 0.00 0.00 175.26 174.47 2oqs n GLY 39 N 0.63 1.56 3.95 -1.50 0.00 -1.26 -4.99 105.19 103.58 2oqs n GLY 39 Ca 0.07 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.74 1.66 0.17 -0.02 0.00 -1.04 -4.82 107.32 100.53 2oqs s GLY 40 Ca 0.00 -1.05 -0.24 0.00 0.00 0.00 0.00 44.72 43.43 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 0.10 -0.22 -0.01 3.20 0.00 0.03 0.35 119.26 122.70 2oqs h ALA 41 Ca -0.45 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2oqs h ALA 41 Cb 1.27 0.78 -0.00 0.00 0.00 0.00 0.00 17.79 19.85 2oqs h ALA 41 CO 0.57 -0.76 -0.00 0.00 0.00 0.00 0.00 179.25 179.06 2oqs h ALA 42 N 0.72 0.02 -0.57 0.00 0.00 -1.85 -1.44 119.26 116.13 2oqs h ALA 42 Ca 0.18 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.03 2oqs h ALA 42 Cb 0.56 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.24 2oqs h ALA 42 CO -0.59 -0.31 -0.01 1.25 0.00 0.00 0.00 179.25 179.59 2oqs h HIS 43 N -0.32 -0.06 -0.30 0.00 6.17 -1.67 0.13 115.15 119.10 2oqs h HIS 43 Ca 0.00 0.04 -0.14 0.00 0.71 0.00 0.00 60.37 60.99 2oqs h HIS 43 Cb 0.35 0.12 -0.01 0.00 2.52 0.00 0.00 27.41 30.38 2oqs h HIS 43 CO 0.04 -0.16 -0.37 0.87 0.71 0.00 0.00 177.93 179.03 2oqs h LYS 44 N 0.11 0.69 0.47 5.26 1.57 -0.33 -3.25 116.57 121.09 2oqs h LYS 44 Ca 0.30 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2oqs h LYS 44 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2oqs h LYS 44 CO -0.50 0.95 -0.23 0.22 -0.57 0.00 0.00 179.45 179.33 2oqs h ASP 45 N 0.58 -0.53 0.00 0.86 1.82 -0.06 -3.47 116.42 115.61 2oqs h ASP 45 Ca 0.06 -0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 2oqs h ASP 45 Cb 0.89 0.14 0.00 0.00 0.68 0.00 0.00 39.33 41.04 2oqs h ASP 45 CO 0.08 -0.30 0.00 0.61 -1.61 0.00 0.00 179.24 178.02 2oqs n GLY 46 N -1.05 3.23 0.26 -0.78 0.00 0.33 -4.89 105.19 102.28 2oqs n GLY 46 Ca -0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 1.76 0.90 -5.95 1.61 3.64 -1.92 -3.43 116.57 113.18 2oqs h LYS 47 Ca 0.00 -0.40 -0.57 0.00 -1.27 0.00 0.00 60.65 58.42 2oqs h LYS 47 Cb 0.00 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.73 2oqs h LYS 47 CO 0.00 1.05 0.12 -1.17 -2.27 0.00 0.00 179.45 177.18 2oqs s LEU 48 N -9.09 4.27 0.02 5.20 0.20 -1.26 -5.06 118.68 112.96 2oqs s LEU 48 Ca -0.12 1.12 0.02 0.00 0.69 0.00 0.00 54.13 55.83 2oqs s LEU 48 Cb 0.11 -3.06 -0.02 0.00 -0.43 0.00 0.00 46.19 42.80 2oqs s LEU 48 CO 0.85 -0.17 -0.06 0.00 -0.29 0.00 0.00 176.35 176.68 2oqs s GLN 49 N 1.14 0.43 -0.10 1.98 0.00 -1.26 -4.72 119.66 117.11 2oqs s GLN 49 Ca 0.36 -0.54 -0.38 0.00 -0.00 0.00 0.00 55.36 54.79 2oqs s GLN 49 Cb -0.17 -0.23 -0.16 0.00 0.00 0.00 0.00 33.01 32.45 2oqs s GLN 49 CO 0.16 0.04 1.56 0.44 0.00 0.00 0.00 175.29 177.49 2oqs n ILE 50 N 1.96 0.17 0.00 3.63 -5.35 -1.26 -2.27 119.36 116.24 2oqs n ILE 50 Ca -0.20 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 2oqs n ILE 50 Cb 0.56 -1.05 0.00 0.00 -1.74 0.00 0.00 39.64 37.40 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 3.43 1.51 3.78 3.28 0.00 -1.19 -5.02 105.19 110.97 2oqs n GLY 51 Ca 0.23 0.00 -0.32 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 -1.59 4.98 0.07 1.61 1.47 -0.96 -4.88 116.67 117.36 2oqs s ASP 52 Ca 0.00 1.87 0.06 0.00 1.18 0.00 0.00 52.55 55.66 2oqs s ASP 52 Cb 0.00 -2.53 -0.04 0.00 -0.34 0.00 0.00 42.92 40.01 2oqs s ASP 52 CO 0.00 -1.71 -0.10 -1.59 0.68 0.00 0.00 175.17 172.45 2oqs s LYS 53 N -4.52 2.24 -0.52 2.11 -2.85 -1.26 -3.29 119.74 111.65 2oqs s LYS 53 Ca 0.63 -0.94 -0.18 0.00 -1.00 0.00 0.00 55.97 54.49 2oqs s LYS 53 Cb -0.18 -2.35 0.08 0.00 -2.06 0.00 0.00 37.83 33.32 2oqs s LYS 53 CO 0.48 0.54 0.58 -0.51 0.10 0.00 0.00 175.35 176.54 2oqs s LEU 54 N -1.91 5.32 0.06 2.77 1.43 0.20 -1.23 118.68 125.32 2oqs s LEU 54 Ca 0.20 -1.21 -0.21 0.00 -1.03 0.00 0.00 54.13 51.87 2oqs s LEU 54 Cb -0.11 -2.33 -0.12 0.00 0.03 0.00 0.00 46.19 43.65 2oqs s LEU 54 CO 0.11 -0.89 1.51 0.25 0.23 0.00 0.00 176.35 177.56 2oqs h LEU 55 N 9.50 0.23 -7.22 1.79 6.46 0.72 -3.32 115.31 123.45 2oqs h LEU 55 Ca -0.28 -0.28 -0.04 0.00 -0.12 0.00 0.00 57.88 57.15 2oqs h LEU 55 Cb 1.10 -0.06 -0.14 0.00 -0.73 0.00 0.00 40.66 40.83 2oqs h LEU 55 CO 0.99 0.45 0.04 0.00 -0.62 0.00 0.00 178.44 179.30 2oqs s ALA 56 N -5.09 -1.24 -0.18 1.25 0.00 0.41 -0.50 121.76 116.42 2oqs s ALA 56 Ca -0.14 0.29 -0.05 0.00 0.00 0.00 0.00 51.96 52.07 2oqs s ALA 56 Cb 0.06 0.66 0.06 0.00 0.00 0.00 0.00 23.12 23.90 2oqs s ALA 56 CO 0.71 -0.64 0.10 0.08 0.00 0.00 0.00 175.76 176.01 2oqs s VAL 57 N -3.40 -0.11 -0.98 0.00 1.01 0.35 -0.51 120.40 116.75 2oqs s VAL 57 Ca -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 2oqs s VAL 57 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.79 2oqs s VAL 57 CO -0.09 -0.28 0.83 0.59 0.00 0.00 0.00 175.10 176.15 2oqs n ASN 58 N 5.28 -3.14 0.00 3.32 4.13 -1.16 -2.65 115.26 121.03 2oqs n ASN 58 Ca -0.07 -0.47 0.00 0.00 1.68 0.00 0.00 54.58 55.73 2oqs n ASN 58 Cb 0.49 -4.11 0.00 0.00 -1.54 0.00 0.00 39.78 34.61 2oqs n ASN 58 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2oqs n ASN 59 N -2.47 0.00 -4.88 6.41 5.15 -1.26 -5.01 115.26 113.20 2oqs n ASN 59 Ca -0.15 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.49 2oqs n ASN 59 Cb 0.61 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.80 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 -2.08 5.12 0.05 3.44 -7.23 -1.09 -5.07 120.40 113.56 2oqs s VAL 60 Ca 0.00 0.33 -0.28 0.00 -1.81 0.00 0.00 61.98 60.22 2oqs s VAL 60 Cb 0.00 -3.63 -0.05 0.00 0.56 0.00 0.00 36.38 33.26 2oqs s VAL 60 CO 0.00 0.22 0.87 0.00 -0.31 0.00 0.00 175.10 175.88 2oqs n LEU 62 N 3.08 5.97 -0.00 0.00 7.94 0.35 -4.33 117.00 130.02 2oqs n LEU 62 Ca 0.01 -3.51 0.01 0.00 -1.11 0.00 0.00 56.01 51.41 2oqs n LEU 62 Cb 0.50 -0.76 -0.02 0.00 0.53 0.00 0.00 43.42 43.66 2oqs n LEU 62 CO 0.50 1.01 -0.49 1.21 -1.11 0.00 0.00 177.39 178.50 2oqs n GLU 63 N -0.84 0.56 -2.09 1.96 2.13 -1.25 -1.43 120.64 119.67 2oqs n GLU 63 Ca 0.48 -0.03 -0.24 0.00 0.66 0.00 0.00 57.16 58.04 2oqs n GLU 63 Cb 1.45 -1.04 0.02 0.00 0.27 0.00 0.00 31.44 32.14 2oqs n GLU 63 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2oqs n GLU 64 N -1.56 3.55 -4.10 5.31 4.71 -1.26 -3.98 120.64 123.30 2oqs n GLU 64 Ca -0.00 -4.19 -0.09 0.00 -0.01 0.00 0.00 57.16 52.86 2oqs n GLU 64 Cb 0.08 -2.26 -0.10 0.00 -1.01 0.00 0.00 31.44 28.14 2oqs n GLU 64 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 2oqs s VAL 65 N -4.68 0.43 1.10 2.62 -7.23 -1.26 -5.11 120.40 106.26 2oqs s VAL 65 Ca 0.50 -1.65 -0.16 0.00 -1.81 0.00 0.00 61.98 58.87 2oqs s VAL 65 Cb 0.41 -1.30 0.24 0.00 0.56 0.00 0.00 36.38 36.28 2oqs s VAL 65 CO 0.01 -0.81 1.11 -0.89 -0.31 0.00 0.00 175.10 174.21 2oqs s THR 66 N -3.16 1.82 0.24 5.32 2.01 -1.26 -3.33 115.64 117.28 2oqs s THR 66 Ca 0.04 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 61.98 2oqs s THR 66 Cb 0.02 -2.51 0.23 0.00 0.01 0.00 0.00 72.50 70.26 2oqs s THR 66 CO -0.05 0.00 1.89 -0.74 -0.69 0.00 0.00 174.62 175.02 2oqs h HIS 67 N -2.22 1.11 -0.43 4.92 2.76 -0.32 -2.57 115.15 118.41 2oqs h HIS 67 Ca -0.50 0.03 0.09 0.00 -2.20 0.00 0.00 60.37 57.79 2oqs h HIS 67 Cb 1.31 -0.37 -0.09 0.00 1.55 0.00 0.00 27.41 29.81 2oqs h HIS 67 CO -0.83 0.64 -0.22 0.93 -1.30 0.00 0.00 177.93 177.15 2oqs h GLU 68 N 1.15 -0.13 -0.51 5.26 4.39 -1.92 0.96 114.58 123.78 2oqs h GLU 68 Ca 0.36 0.01 0.03 0.00 0.34 0.00 0.00 59.36 60.10 2oqs h GLU 68 Cb -0.00 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 2oqs h GLU 68 CO -0.12 -0.08 0.34 0.93 -1.16 0.00 0.00 179.01 178.92 2oqs h GLU 69 N -0.13 0.59 -0.60 2.33 3.07 -1.82 0.42 114.58 118.44 2oqs h GLU 69 Ca 0.21 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.02 2oqs h GLU 69 Cb 0.45 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.20 2oqs h GLU 69 CO -0.51 0.39 0.32 0.00 -1.40 0.00 0.00 179.01 177.81 2oqs h ALA 70 N 1.70 0.77 0.22 3.43 0.00 -0.56 0.31 119.26 125.12 2oqs h ALA 70 Ca 0.20 -0.11 -0.33 0.00 0.00 0.00 0.00 54.91 54.68 2oqs h ALA 70 Cb 0.06 -0.24 0.03 0.00 0.00 0.00 0.00 17.79 17.65 2oqs h ALA 70 CO -0.05 0.29 -1.42 0.28 0.00 0.00 0.00 179.25 178.35 2oqs h VAL 71 N 0.81 1.31 -0.34 0.00 2.07 -0.57 -2.85 116.25 116.67 2oqs h VAL 71 Ca 0.21 -2.70 -0.05 0.00 0.82 0.00 0.00 66.70 64.97 2oqs h VAL 71 Cb 0.06 2.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 2oqs h VAL 71 CO -0.03 0.81 -0.00 0.74 0.02 0.00 0.00 177.57 179.10 2oqs h THR 72 N 0.16 1.20 0.09 2.57 2.02 -0.09 0.12 112.91 118.98 2oqs h THR 72 Ca -0.23 -0.80 -0.27 0.00 0.77 0.00 0.00 66.41 65.87 2oqs h THR 72 Cb 2.11 0.95 0.02 0.00 -1.74 0.00 0.00 68.15 69.48 2oqs h THR 72 CO 0.26 0.28 -1.17 0.00 0.37 0.00 0.00 175.52 175.26 2oqs h ALA 73 N 1.49 0.12 -0.24 6.16 0.00 -1.02 0.26 119.26 126.03 2oqs h ALA 73 Ca 0.11 -0.78 -0.14 0.00 0.00 0.00 0.00 54.91 54.09 2oqs h ALA 73 Cb 0.34 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2oqs h ALA 73 CO 0.01 0.79 -0.44 -0.07 0.00 0.00 0.00 179.25 179.55 2oqs h LEU 74 N 0.21 0.63 0.00 0.00 -0.00 -1.31 -3.02 115.31 111.82 2oqs h LEU 74 Ca -0.15 -0.29 -0.04 0.00 -0.00 0.00 0.00 57.88 57.40 2oqs h LEU 74 Cb 1.85 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 42.32 2oqs h LEU 74 CO 0.21 0.98 -0.41 0.07 -0.00 0.00 0.00 178.44 179.29 2oqs h LYS 75 N 0.48 0.00 -3.89 1.13 2.10 -0.80 -3.40 116.57 112.19 2oqs h LYS 75 Ca 0.03 0.00 -0.66 0.00 -2.00 0.00 0.00 60.65 58.02 2oqs h LYS 75 Cb 0.96 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.28 2oqs h LYS 75 CO 0.09 0.16 3.03 -1.71 -2.00 0.00 0.00 179.45 179.02 2oqs n ASN 76 N -3.05 4.49 -4.16 7.07 4.05 0.08 -4.88 115.26 118.87 2oqs n ASN 76 Ca 0.02 -2.71 -0.22 0.00 0.45 0.00 0.00 54.58 52.12 2oqs n ASN 76 Cb 0.61 -1.47 -0.14 0.00 1.23 0.00 0.00 39.78 40.02 2oqs n ASN 76 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 2oqs s THR 77 N 3.45 1.23 0.00 -0.44 -4.23 -1.26 -4.96 115.64 109.43 2oqs s THR 77 Ca 0.53 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 2oqs s THR 77 Cb 0.14 -1.08 0.00 0.00 1.34 0.00 0.00 72.50 72.90 2oqs s THR 77 CO -0.03 0.12 0.00 -0.24 -0.54 0.00 0.00 174.62 173.93 2oqs n SER 78 N 2.09 0.00 -0.11 3.99 2.88 -1.26 -5.01 113.62 116.19 2oqs n SER 78 Ca -0.17 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.15 2oqs n SER 78 Cb 0.54 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.92 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 -0.94 1.91 -4.56 -3.46 9.92 -1.26 -4.80 116.55 113.34 2oqs n ASP 79 Ca 0.00 0.40 -0.27 0.00 -0.53 0.00 0.00 54.79 54.39 2oqs n ASP 79 Cb 0.00 -0.87 -0.10 0.00 -0.64 0.00 0.00 41.12 39.51 2oqs n ASP 79 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2oqs s PHE 80 N -2.47 2.26 -0.06 1.24 2.19 -1.26 -2.27 117.98 117.60 2oqs s PHE 80 Ca -0.32 -0.81 -0.03 0.00 0.33 0.00 0.00 56.93 56.11 2oqs s PHE 80 Cb 0.09 -1.59 0.04 0.00 -1.31 0.00 0.00 43.02 40.25 2oqs s PHE 80 CO 0.49 0.27 0.09 0.08 1.83 0.00 0.00 175.22 177.98 2oqs s VAL 81 N -2.92 -0.16 -0.55 3.12 1.01 0.13 -4.77 120.40 116.26 2oqs s VAL 81 Ca 0.32 0.38 -0.13 0.00 0.00 0.00 0.00 61.98 62.55 2oqs s VAL 81 Cb 0.08 -0.21 0.14 0.00 0.00 0.00 0.00 36.38 36.39 2oqs s VAL 81 CO 0.15 0.15 0.48 -0.47 0.00 0.00 0.00 175.10 175.41 2oqs s TYR 82 N 2.21 3.36 -0.17 5.22 6.14 -1.26 -1.65 117.35 131.21 2oqs s TYR 82 Ca 0.04 -1.59 -0.25 0.00 0.64 0.00 0.00 57.07 55.91 2oqs s TYR 82 Cb -0.12 -3.69 -0.02 0.00 0.42 0.00 0.00 41.96 38.55 2oqs s TYR 82 CO -0.04 -1.00 0.80 -1.17 0.64 0.00 0.00 175.55 174.78 2oqs s LEU 83 N 1.33 4.18 -0.31 6.97 2.96 -1.07 -3.00 118.68 129.73 2oqs s LEU 83 Ca 0.06 1.14 -0.03 0.00 -0.22 0.00 0.00 54.13 55.08 2oqs s LEU 83 Cb -0.26 -3.19 0.05 0.00 0.50 0.00 0.00 46.19 43.28 2oqs s LEU 83 CO 0.00 -0.37 0.03 -0.54 -1.32 0.00 0.00 176.35 174.15 2oqs s LYS 84 N 2.04 2.48 -0.12 1.98 -0.14 0.33 -1.84 119.74 124.47 2oqs s LYS 84 Ca 0.37 -1.25 -0.03 0.00 -1.36 0.00 0.00 55.97 53.70 2oqs s LYS 84 Cb -0.17 -3.26 -0.03 0.00 -1.68 0.00 0.00 37.83 32.69 2oqs s LYS 84 CO 0.13 -0.64 -0.00 0.08 -0.76 0.00 0.00 175.35 174.16 2oqs s VAL 85 N 1.29 4.25 0.23 3.17 1.01 0.52 0.12 120.40 131.00 2oqs s VAL 85 Ca -0.04 -0.25 -0.22 0.00 0.00 0.00 0.00 61.98 61.47 2oqs s VAL 85 Cb -0.20 -2.83 -0.08 0.00 0.00 0.00 0.00 36.38 33.27 2oqs s VAL 85 CO -0.00 0.55 0.77 0.00 0.00 0.00 0.00 175.10 176.42 2oqs s ALA 86 N -0.29 3.38 -0.36 5.51 0.00 -0.37 -0.98 121.76 128.65 2oqs s ALA 86 Ca 0.06 0.26 -0.10 0.00 0.00 0.00 0.00 51.96 52.18 2oqs s ALA 86 Cb -0.12 -2.90 0.03 0.00 0.00 0.00 0.00 23.12 20.12 2oqs s ALA 86 CO 0.02 0.30 0.17 0.21 0.00 0.00 0.00 175.76 176.46 2oqs s LYS 87 N -1.86 2.79 0.52 0.00 2.36 -1.26 -4.29 119.74 118.00 2oqs s LYS 87 Ca 0.43 -1.09 -0.20 0.00 -2.55 0.00 0.00 55.97 52.56 2oqs s LYS 87 Cb -0.18 -3.64 -0.07 0.00 -1.05 0.00 0.00 37.83 32.89 2oqs s LYS 87 CO 0.22 -0.68 1.10 -1.25 1.55 0.00 0.00 175.35 176.30 2oqs s PRO 88 N 1.51 3.51 0.15 4.03 0.04 -1.26 -4.99 135.00 138.00 2oqs s PRO 88 Ca 0.01 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2oqs s PRO 88 Cb -0.19 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2oqs s PRO 88 CO 0.05 -0.70 0.00 2.41 0.04 0.00 0.00 177.00 178.80 2oqs n THR 89 N -1.14 0.45 0.00 1.26 -1.04 -1.26 -5.13 114.28 107.42 2oqs n THR 89 Ca 0.11 0.15 0.00 0.00 -2.04 0.00 0.00 64.05 62.27 2oqs n THR 89 Cb 0.51 -0.89 0.00 0.00 -1.82 0.00 0.00 70.33 68.13 2oqs n THR 89 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2oqs n GLY 90 N 2.49 -0.18 0.19 3.41 0.00 -1.26 -5.05 105.19 104.78 2oqs n GLY 90 Ca 0.00 0.72 -0.21 0.00 0.00 0.00 0.00 46.02 46.53 2oqs n GLY 90 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2oqs h SER 91 N 0.00 0.89 0.00 1.61 0.87 -2.03 -3.58 113.55 111.31 2oqs h SER 91 Ca 0.00 -0.75 0.00 0.00 -1.23 0.00 0.00 61.79 59.81 2oqs h SER 91 Cb 0.00 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.69 2oqs h SER 91 CO 0.00 1.55 0.00 1.41 -0.53 0.00 0.00 176.83 179.26