#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 1.26 -0.00 0.03 1.03 -1.26 -0.88 118.70 118.88 2oqs s GLU 2 Ca 0.00 -1.53 0.03 0.00 0.03 0.00 0.00 54.97 53.51 2oqs s GLU 2 Cb 0.00 -1.05 -0.01 0.00 -0.80 0.00 0.00 34.13 32.27 2oqs s GLU 2 CO 0.00 0.18 -0.11 0.42 -1.33 0.00 0.00 175.26 174.42 2oqs s ILE 3 N -2.88 0.87 -0.85 1.83 1.09 -0.79 -5.00 121.20 115.46 2oqs s ILE 3 Ca 0.20 -0.53 -0.14 0.00 -1.10 0.00 0.00 60.65 59.08 2oqs s ILE 3 Cb -0.01 -0.74 0.21 0.00 -1.06 0.00 0.00 42.46 40.87 2oqs s ILE 3 CO 0.06 0.20 0.82 -0.75 -0.10 0.00 0.00 174.94 175.17 2oqs s LYS 4 N -0.37 3.63 -0.40 2.79 2.20 -1.26 -2.56 119.74 123.77 2oqs s LYS 4 Ca 0.04 -2.43 -0.22 0.00 -0.36 0.00 0.00 55.97 53.00 2oqs s LYS 4 Cb -0.05 -4.48 0.01 0.00 -1.51 0.00 0.00 37.83 31.80 2oqs s LYS 4 CO -0.00 -1.34 0.72 -0.51 -0.36 0.00 0.00 175.35 173.86 2oqs s LEU 5 N 0.35 4.25 -0.17 5.43 1.43 -0.74 -5.00 118.68 124.24 2oqs s LEU 5 Ca 0.20 0.07 -0.17 0.00 -1.03 0.00 0.00 54.13 53.20 2oqs s LEU 5 Cb -0.09 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 2oqs s LEU 5 CO -0.09 -0.75 0.43 -0.51 0.23 0.00 0.00 176.35 175.66 2oqs s ILE 6 N 2.99 5.20 -0.28 -0.59 2.07 -1.26 -0.23 121.20 129.09 2oqs s ILE 6 Ca 0.28 0.81 -0.36 0.00 -1.41 0.00 0.00 60.65 59.96 2oqs s ILE 6 Cb -0.13 -3.76 -0.12 0.00 0.13 0.00 0.00 42.46 38.58 2oqs s ILE 6 CO 0.18 0.29 2.06 1.17 -1.91 0.00 0.00 174.94 176.73 2oqs n LYS 7 N 4.09 1.32 0.00 3.50 3.00 -1.02 -4.95 118.16 124.10 2oqs n LYS 7 Ca -0.08 0.42 0.00 0.00 -0.00 0.00 0.00 58.31 58.65 2oqs n LYS 7 Cb 0.51 -2.46 0.00 0.00 0.00 0.00 0.00 35.03 33.08 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 5.72 1.30 0.00 3.14 0.00 -1.26 -5.01 105.19 109.08 2oqs n GLY 8 Ca 0.35 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.66 2oqs n GLY 8 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2oqs n PRO 9 N 0.00 0.00 0.04 1.61 -0.02 -1.26 -4.60 135.00 130.77 2oqs n PRO 9 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.47 2oqs n PRO 9 Cb 0.00 -0.72 -0.01 0.00 -0.02 0.00 0.00 33.50 32.75 2oqs n PRO 9 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2oqs h LYS 10 N 0.00 -0.09 0.00 -0.52 1.57 -1.97 -3.50 116.57 112.06 2oqs h LYS 10 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2oqs h LYS 10 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2oqs h LYS 10 CO 0.00 -0.06 0.00 0.41 -0.57 0.00 0.00 179.45 179.23 2oqs n GLY 11 N -0.85 -0.52 0.09 3.86 0.00 -1.26 -5.03 105.19 101.47 2oqs n GLY 11 Ca -0.01 0.62 -0.18 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.57 0.99 4.07 -1.96 -3.37 115.31 114.46 2oqs h LEU 12 Ca 0.00 -0.58 0.00 0.00 0.08 0.00 0.00 57.88 57.38 2oqs h LEU 12 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2oqs h LEU 12 CO 0.00 1.29 0.00 0.61 -1.08 0.00 0.00 178.44 179.26 2oqs n GLY 13 N 1.50 0.85 1.67 0.83 0.00 -1.26 0.50 105.19 109.29 2oqs n GLY 13 Ca -0.24 -0.63 -0.03 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.57 -1.48 -4.45 1.61 1.16 -1.26 0.59 117.46 111.06 2oqs n PHE 14 Ca 0.00 -0.78 -0.22 0.00 -1.87 0.00 0.00 57.45 54.58 2oqs n PHE 14 Cb 0.42 0.39 -0.10 0.00 -1.61 0.00 0.00 39.48 38.58 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 -1.95 2.28 0.26 5.98 1.04 0.25 -4.89 113.70 116.67 2oqs s SER 15 Ca 0.08 -1.49 -0.17 0.00 0.48 0.00 0.00 55.95 54.84 2oqs s SER 15 Cb -0.02 0.19 0.01 0.00 0.10 0.00 0.00 66.02 66.30 2oqs s SER 15 CO 0.05 -0.76 0.60 0.27 0.98 0.00 0.00 173.24 174.38 2oqs s ILE 16 N -3.36 0.00 0.17 -1.02 -0.00 -1.26 -2.28 121.20 113.45 2oqs s ILE 16 Ca 0.32 -1.19 0.02 0.00 -0.00 0.00 0.00 60.65 59.80 2oqs s ILE 16 Cb 0.06 -2.09 -0.05 0.00 -0.00 0.00 0.00 42.46 40.39 2oqs s ILE 16 CO 0.15 -0.00 -0.01 0.00 -0.00 0.00 0.00 174.94 175.08 2oqs s ALA 17 N -3.97 1.31 0.00 2.27 0.00 0.13 -4.69 121.76 116.81 2oqs s ALA 17 Ca 0.16 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.56 2oqs s ALA 17 Cb -0.03 0.51 0.00 0.00 0.00 0.00 0.00 23.12 23.59 2oqs s ALA 17 CO 0.08 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.94 2oqs n GLY 18 N -0.22 2.76 0.00 0.00 0.00 -1.13 -1.78 105.19 104.82 2oqs n GLY 18 Ca -0.07 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.19 2.65 3.77 -0.02 0.00 -1.10 -0.22 105.19 110.08 2oqs n GLY 19 Ca 0.00 -1.85 -0.40 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.55 2.48 0.00 1.61 1.01 -1.26 0.34 120.40 122.03 2oqs s VAL 20 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.43 2oqs s VAL 20 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2oqs s VAL 20 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.79 2oqs n GLY 21 N 0.65 2.88 1.09 4.51 0.00 -1.26 -4.63 105.19 108.43 2oqs n GLY 21 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.07 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 0.48 -4.75 1.61 6.94 -0.94 -5.12 115.26 113.48 2oqs n ASN 22 Ca 0.00 -1.96 -0.36 0.00 -0.02 0.00 0.00 54.58 52.24 2oqs n ASN 22 Cb 0.00 -0.21 0.04 0.00 -2.36 0.00 0.00 39.78 37.25 2oqs n ASN 22 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 2oqs s GLN 23 N 0.00 2.96 -0.06 -3.83 -0.21 0.15 -2.81 119.66 115.86 2oqs s GLN 23 Ca 0.19 1.89 0.13 0.00 0.02 0.00 0.00 55.36 57.59 2oqs s GLN 23 Cb 0.22 -1.97 -0.23 0.00 1.00 0.00 0.00 33.01 32.03 2oqs s GLN 23 CO -0.09 -1.23 0.60 1.58 -2.12 0.00 0.00 175.29 174.03 2oqs n HIS 24 N -1.54 0.91 -3.91 0.91 -0.00 -1.26 -4.81 115.22 105.52 2oqs n HIS 24 Ca 0.13 0.33 -0.21 0.00 -0.00 0.00 0.00 57.72 57.97 2oqs n HIS 24 Cb 0.49 -1.17 -0.17 0.00 -0.00 0.00 0.00 29.99 29.14 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 -2.59 0.35 -0.13 3.57 -1.09 -1.25 -5.08 121.20 114.99 2oqs s ILE 25 Ca -0.06 0.06 -0.37 0.00 -2.23 0.00 0.00 60.65 58.06 2oqs s ILE 25 Cb 0.08 -0.46 -0.15 0.00 -1.58 0.00 0.00 42.46 40.35 2oqs s ILE 25 CO 0.82 0.22 1.70 -2.65 -1.23 0.00 0.00 174.94 173.81 2oqs n PRO 26 N 4.64 1.54 0.00 2.79 -0.02 -1.26 -1.80 135.00 140.88 2oqs n PRO 26 Ca -0.16 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2oqs n PRO 26 Cb 0.50 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2oqs n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oqs n GLY 27 N 3.92 2.71 3.50 -1.23 0.00 -1.26 -4.97 105.19 107.85 2oqs n GLY 27 Ca 0.23 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 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 6.31 -0.06 1.61 2.15 -0.74 -4.91 116.67 121.03 2oqs s ASP 28 Ca 0.00 -0.50 0.06 0.00 0.43 0.00 0.00 52.55 52.54 2oqs s ASP 28 Cb 0.00 -2.36 0.27 0.00 -0.30 0.00 0.00 42.92 40.53 2oqs s ASP 28 CO 0.00 -1.00 1.00 0.59 -0.17 0.00 0.00 175.17 175.59 2oqs n ASN 29 N 6.75 2.32 -4.84 -0.34 3.02 -1.26 -3.96 115.26 116.95 2oqs n ASN 29 Ca -0.01 -2.24 -0.32 0.00 -0.03 0.00 0.00 54.58 51.97 2oqs n ASN 29 Cb 0.47 -0.46 -0.04 0.00 -0.61 0.00 0.00 39.78 39.14 2oqs n ASN 29 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2oqs s SER 30 N -0.46 6.62 -0.11 6.41 0.01 -1.26 -2.70 113.70 122.21 2oqs s SER 30 Ca 0.19 1.61 -0.30 0.00 1.31 0.00 0.00 55.95 58.76 2oqs s SER 30 Cb 0.13 -2.52 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 2oqs s SER 30 CO 0.07 -0.59 1.29 -0.63 0.41 0.00 0.00 173.24 173.79 2oqs s ILE 31 N -2.53 4.16 0.07 1.44 -1.09 -1.11 -4.60 121.20 117.54 2oqs s ILE 31 Ca 0.60 1.44 0.07 0.00 -2.23 0.00 0.00 60.65 60.53 2oqs s ILE 31 Cb -0.10 -3.93 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 2oqs s ILE 31 CO 0.28 -0.08 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.46 2oqs s TYR 32 N 3.06 2.63 -0.06 3.97 1.51 -0.73 0.83 117.35 128.55 2oqs s TYR 32 Ca 0.57 -0.21 -0.30 0.00 -1.01 0.00 0.00 57.07 56.12 2oqs s TYR 32 Cb -0.24 -1.44 -0.03 0.00 -0.11 0.00 0.00 41.96 40.14 2oqs s TYR 32 CO 0.19 0.34 1.11 0.08 -1.11 0.00 0.00 175.55 176.17 2oqs s VAL 33 N -1.06 4.49 -0.12 0.71 1.01 -1.20 0.19 120.40 124.41 2oqs s VAL 33 Ca 0.17 1.78 0.18 0.00 0.00 0.00 0.00 61.98 64.12 2oqs s VAL 33 Cb -0.11 -4.15 -0.22 0.00 0.00 0.00 0.00 36.38 31.91 2oqs s VAL 33 CO 0.09 0.02 0.51 0.35 0.00 0.00 0.00 175.10 176.06 2oqs n THR 34 N 4.50 1.08 -3.58 3.92 -2.24 -0.97 -3.19 114.28 113.80 2oqs n THR 34 Ca 0.10 -0.72 -0.02 0.00 -2.27 0.00 0.00 64.05 61.14 2oqs n THR 34 Cb 0.47 -0.54 -0.06 0.00 -2.10 0.00 0.00 70.33 68.11 2oqs n THR 34 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2oqs s LYS 35 N -2.87 0.47 -0.23 -0.78 2.20 -1.26 -4.97 119.74 112.31 2oqs s LYS 35 Ca -0.06 0.95 -0.09 0.00 -0.36 0.00 0.00 55.97 56.41 2oqs s LYS 35 Cb 0.09 0.33 -0.04 0.00 -1.51 0.00 0.00 37.83 36.70 2oqs s LYS 35 CO 0.84 -0.12 0.11 0.42 -0.36 0.00 0.00 175.35 176.23 2oqs s ILE 36 N 1.98 4.92 0.42 5.43 1.01 -1.26 0.84 121.20 134.53 2oqs s ILE 36 Ca -0.07 0.03 -0.22 0.00 0.00 0.00 0.00 60.65 60.39 2oqs s ILE 36 Cb -0.06 -3.28 -0.10 0.00 0.01 0.00 0.00 42.46 39.03 2oqs s ILE 36 CO -0.17 0.37 0.97 -0.63 0.00 0.00 0.00 174.94 175.47 2oqs s ILE 37 N 1.02 4.24 0.56 2.92 1.09 0.20 -4.95 121.20 126.28 2oqs s ILE 37 Ca 0.06 1.49 -0.21 0.00 -1.10 0.00 0.00 60.65 60.88 2oqs s ILE 37 Cb -0.14 -3.65 -0.04 0.00 -1.06 0.00 0.00 42.46 37.56 2oqs s ILE 37 CO 0.04 -0.21 1.34 -1.61 -0.10 0.00 0.00 174.94 174.40 2oqs s GLU 38 N -2.96 3.08 -2.12 2.79 2.02 -1.26 -2.41 118.70 117.84 2oqs s GLU 38 Ca 0.60 2.20 0.00 0.00 0.02 0.00 0.00 54.97 57.79 2oqs s GLU 38 Cb -0.12 -2.20 0.00 0.00 0.10 0.00 0.00 34.13 31.90 2oqs s GLU 38 CO 0.17 -1.23 0.00 0.41 0.02 0.00 0.00 175.26 174.63 2oqs n GLY 39 N 0.73 1.90 3.94 -1.39 0.00 -1.26 -4.97 105.19 104.15 2oqs n GLY 39 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 1.70 0.18 -0.02 0.00 -1.01 -4.78 107.32 100.65 2oqs s GLY 40 Ca 0.00 -1.00 -0.20 0.00 0.00 0.00 0.00 44.72 43.52 2oqs s GLY 40 CO 0.00 -0.69 1.61 0.00 0.00 0.00 0.00 173.10 174.03 2oqs h ALA 41 N -0.20 0.02 0.09 3.20 0.00 -0.16 0.44 119.26 122.65 2oqs h ALA 41 Ca -0.44 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2oqs h ALA 41 Cb 1.29 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.69 2oqs h ALA 41 CO 0.58 -0.62 -0.04 0.00 0.00 0.00 0.00 179.25 179.16 2oqs h ALA 42 N 1.05 -0.12 -0.55 0.00 0.00 -1.88 -1.31 119.26 116.45 2oqs h ALA 42 Ca 0.21 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.01 2oqs h ALA 42 Cb 0.50 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 2oqs h ALA 42 CO -0.55 -0.35 0.12 1.25 0.00 0.00 0.00 179.25 179.71 2oqs h HIS 43 N -0.55 0.19 -0.29 0.00 6.17 -1.72 0.13 115.15 119.09 2oqs h HIS 43 Ca -0.01 0.03 -0.18 0.00 0.71 0.00 0.00 60.37 60.92 2oqs h HIS 43 Cb 0.45 -0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.38 2oqs h HIS 43 CO 0.06 -0.01 -0.54 0.87 0.71 0.00 0.00 177.93 179.03 2oqs h LYS 44 N 0.26 0.86 0.27 5.26 1.79 -0.19 -3.29 116.57 121.53 2oqs h LYS 44 Ca 0.28 -0.54 -0.01 0.00 -2.18 0.00 0.00 60.65 58.19 2oqs h LYS 44 Cb 0.39 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 2oqs h LYS 44 CO -0.36 1.18 -0.13 0.22 -1.08 0.00 0.00 179.45 179.28 2oqs h ASP 45 N 0.66 -0.31 0.00 0.86 3.58 -0.69 -3.47 116.42 117.05 2oqs h ASP 45 Ca 0.02 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.35 2oqs h ASP 45 Cb 1.14 0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.27 2oqs h ASP 45 CO 0.12 -0.06 0.00 0.61 -2.88 0.00 0.00 179.24 177.03 2oqs n GLY 46 N -0.71 2.98 0.31 -0.78 0.00 0.42 -4.89 105.19 102.52 2oqs n GLY 46 Ca -0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 2oqs n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oqs h LYS 47 N 0.00 1.06 -5.66 1.61 1.57 -1.92 -3.40 116.57 109.82 2oqs h LYS 47 Ca 0.00 -0.08 -0.59 0.00 -1.87 0.00 0.00 60.65 58.10 2oqs h LYS 47 Cb 0.00 -0.23 -0.09 0.00 0.08 0.00 0.00 32.23 31.99 2oqs h LYS 47 CO 0.00 0.73 0.10 -1.17 -0.57 0.00 0.00 179.45 178.54 2oqs s LEU 48 N -10.06 4.15 0.02 2.94 0.20 -1.26 -5.06 118.68 109.60 2oqs s LEU 48 Ca -0.13 0.83 0.04 0.00 0.69 0.00 0.00 54.13 55.56 2oqs s LEU 48 Cb 0.15 -2.88 -0.02 0.00 -0.43 0.00 0.00 46.19 43.02 2oqs s LEU 48 CO 0.79 -0.26 -0.13 0.00 -0.29 0.00 0.00 176.35 176.46 2oqs s GLN 49 N 1.84 0.97 -0.18 1.98 0.00 -1.26 -4.56 119.66 118.45 2oqs s GLN 49 Ca 0.28 -0.62 -0.39 0.00 -0.00 0.00 0.00 55.36 54.63 2oqs s GLN 49 Cb -0.16 -0.96 -0.16 0.00 0.00 0.00 0.00 33.01 31.73 2oqs s GLN 49 CO 0.10 0.25 1.63 0.44 0.00 0.00 0.00 175.29 177.71 2oqs n ILE 50 N 2.28 0.22 0.00 3.63 -6.64 -1.26 -2.12 119.36 115.47 2oqs n ILE 50 Ca -0.16 -0.04 0.00 0.00 -1.77 0.00 0.00 62.75 60.78 2oqs n ILE 50 Cb 0.55 -1.09 0.00 0.00 -1.44 0.00 0.00 39.64 37.66 2oqs n ILE 50 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2oqs n GLY 51 N 3.71 1.85 3.75 3.28 0.00 -1.19 -5.02 105.19 111.57 2oqs n GLY 51 Ca 0.24 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 -1.73 4.67 0.08 1.61 1.47 -0.90 -4.84 116.67 117.04 2oqs s ASP 52 Ca 0.00 2.15 0.05 0.00 1.18 0.00 0.00 52.55 55.93 2oqs s ASP 52 Cb 0.00 -2.57 -0.04 0.00 -0.34 0.00 0.00 42.92 39.97 2oqs s ASP 52 CO 0.00 -1.93 -0.03 -1.59 0.68 0.00 0.00 175.17 172.30 2oqs s LYS 53 N -4.04 2.45 -0.24 2.11 0.00 -1.26 -3.27 119.74 115.49 2oqs s LYS 53 Ca 0.70 -0.86 -0.10 0.00 0.00 0.00 0.00 55.97 55.71 2oqs s LYS 53 Cb -0.24 -2.48 -0.05 0.00 0.00 0.00 0.00 37.83 35.06 2oqs s LYS 53 CO 0.43 0.54 0.14 -0.51 0.00 0.00 0.00 175.35 175.95 2oqs s LEU 54 N -2.16 3.97 -0.19 2.77 1.43 0.24 -3.60 118.68 121.14 2oqs s LEU 54 Ca 0.23 0.05 -0.18 0.00 -1.03 0.00 0.00 54.13 53.21 2oqs s LEU 54 Cb -0.11 -2.06 -0.14 0.00 0.03 0.00 0.00 46.19 43.90 2oqs s LEU 54 CO 0.16 0.06 0.07 -0.11 0.23 0.00 0.00 176.35 176.75 2oqs n LEU 55 N 4.34 1.85 -3.77 1.79 7.94 0.41 -3.79 117.00 125.79 2oqs n LEU 55 Ca -0.15 0.48 -0.11 0.00 -1.11 0.00 0.00 56.01 55.11 2oqs n LEU 55 Cb 0.52 -0.93 -0.07 0.00 0.53 0.00 0.00 43.42 43.47 2oqs n LEU 55 CO 0.34 0.07 0.01 0.00 -1.11 0.00 0.00 177.39 176.70 2oqs s ALA 56 N -2.48 -0.63 -0.16 1.96 0.00 0.15 -0.52 121.76 120.09 2oqs s ALA 56 Ca -0.25 -0.07 -0.03 0.00 0.00 0.00 0.00 51.96 51.61 2oqs s ALA 56 Cb 0.05 0.34 0.05 0.00 0.00 0.00 0.00 23.12 23.56 2oqs s ALA 56 CO 0.48 -0.42 0.04 0.08 0.00 0.00 0.00 175.76 175.94 2oqs s VAL 57 N -2.66 0.34 -1.23 0.00 1.01 0.42 -0.61 120.40 117.67 2oqs s VAL 57 Ca -0.04 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 2oqs s VAL 57 Cb -0.00 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.59 2oqs s VAL 57 CO -0.04 -0.10 1.07 0.59 0.00 0.00 0.00 175.10 176.61 2oqs n ASN 58 N 5.13 -5.62 0.00 3.32 4.13 -1.19 -2.10 115.26 118.93 2oqs n ASN 58 Ca -0.08 -0.50 0.00 0.00 1.68 0.00 0.00 54.58 55.68 2oqs n ASN 58 Cb 0.48 -4.65 0.00 0.00 -1.54 0.00 0.00 39.78 34.07 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 -2.65 0.00 -4.84 6.41 2.85 -1.26 -5.03 115.26 110.73 2oqs n ASN 59 Ca -0.02 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.11 2oqs n ASN 59 Cb 0.56 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.53 2oqs n ASN 59 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2oqs s VAL 60 N -1.94 4.80 -0.07 3.44 -7.23 -0.89 -5.05 120.40 113.46 2oqs s VAL 60 Ca 0.00 0.85 -0.25 0.00 -1.81 0.00 0.00 61.98 60.77 2oqs s VAL 60 Cb 0.00 -3.72 -0.03 0.00 0.56 0.00 0.00 36.38 33.19 2oqs s VAL 60 CO 0.00 0.14 0.79 0.00 -0.31 0.00 0.00 175.10 175.72 2oqs n LEU 62 N 4.12 5.82 -0.01 0.00 7.94 0.32 -4.35 117.00 130.85 2oqs n LEU 62 Ca 0.02 -3.34 0.07 0.00 -1.11 0.00 0.00 56.01 51.65 2oqs n LEU 62 Cb 0.51 -0.73 -0.11 0.00 0.53 0.00 0.00 43.42 43.61 2oqs n LEU 62 CO 0.48 0.89 -0.68 -0.62 -1.11 0.00 0.00 177.39 176.35 2oqs n GLU 63 N -0.46 0.47 -2.85 1.96 1.02 -1.24 -2.73 120.64 116.81 2oqs n GLU 63 Ca 0.42 -0.13 -0.23 0.00 -0.02 0.00 0.00 57.16 57.20 2oqs n GLU 63 Cb 1.36 -1.35 -0.02 0.00 -0.02 0.00 0.00 31.44 31.41 2oqs n GLU 63 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2oqs n GLU 64 N -2.02 2.52 -3.83 3.49 4.71 -1.26 -4.30 120.64 119.95 2oqs n GLU 64 Ca -0.03 -4.24 -0.11 0.00 -0.01 0.00 0.00 57.16 52.76 2oqs n GLU 64 Cb 0.39 -2.00 -0.09 0.00 -1.01 0.00 0.00 31.44 28.74 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 -4.11 0.09 0.97 2.62 -7.23 -1.26 -5.11 120.40 106.37 2oqs s VAL 65 Ca 0.44 -0.76 -0.12 0.00 -1.81 0.00 0.00 61.98 59.73 2oqs s VAL 65 Cb 0.35 -0.77 0.17 0.00 0.56 0.00 0.00 36.38 36.70 2oqs s VAL 65 CO -0.12 -0.42 1.09 0.42 -0.31 0.00 0.00 175.10 175.76 2oqs s THR 66 N -2.11 2.36 0.32 5.32 -4.23 -1.26 -3.51 115.64 112.53 2oqs s THR 66 Ca -0.09 0.12 0.05 0.00 -1.18 0.00 0.00 61.69 60.59 2oqs s THR 66 Cb -0.03 -2.40 0.30 0.00 1.34 0.00 0.00 72.50 71.71 2oqs s THR 66 CO -0.01 -0.15 1.85 -0.74 -0.54 0.00 0.00 174.62 175.02 2oqs h HIS 67 N -1.90 1.00 -0.78 3.99 2.76 -0.91 -1.03 115.15 118.28 2oqs h HIS 67 Ca -0.51 0.03 0.14 0.00 -2.20 0.00 0.00 60.37 57.82 2oqs h HIS 67 Cb 1.29 -0.32 -0.09 0.00 1.55 0.00 0.00 27.41 29.85 2oqs h HIS 67 CO 0.40 0.38 0.35 1.05 -1.30 0.00 0.00 177.93 178.81 2oqs h GLU 68 N 0.86 0.50 -0.48 5.26 4.11 -1.91 0.63 114.58 123.55 2oqs h GLU 68 Ca 0.48 -0.03 -0.06 0.00 0.07 0.00 0.00 59.36 59.81 2oqs h GLU 68 Cb 0.59 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2oqs h GLU 68 CO -0.24 0.33 0.05 0.93 0.07 0.00 0.00 179.01 180.15 2oqs h GLU 69 N 0.52 0.77 -1.01 1.06 3.07 -1.53 0.19 114.58 117.66 2oqs h GLU 69 Ca 0.42 -0.18 0.03 0.00 -0.50 0.00 0.00 59.36 59.12 2oqs h GLU 69 Cb 0.60 -0.10 -0.05 0.00 -0.84 0.00 0.00 28.75 28.35 2oqs h GLU 69 CO -0.37 0.75 0.66 0.00 -1.40 0.00 0.00 179.01 178.65 2oqs h ALA 70 N 1.32 1.31 0.17 3.43 0.00 -0.63 0.18 119.26 125.05 2oqs h ALA 70 Ca 0.15 -0.06 -0.30 0.00 0.00 0.00 0.00 54.91 54.70 2oqs h ALA 70 Cb 0.38 -0.38 0.02 0.00 0.00 0.00 0.00 17.79 17.80 2oqs h ALA 70 CO 0.01 0.61 -1.36 0.28 0.00 0.00 0.00 179.25 178.79 2oqs h VAL 71 N 1.32 1.39 -0.53 0.00 2.07 -0.93 -2.86 116.25 116.71 2oqs h VAL 71 Ca 0.39 -2.91 -0.04 0.00 0.82 0.00 0.00 66.70 64.95 2oqs h VAL 71 Cb -0.07 2.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 2oqs h VAL 71 CO -0.11 0.86 0.15 0.74 0.02 0.00 0.00 177.57 179.23 2oqs h THR 72 N 0.10 1.21 0.09 2.57 2.02 -0.23 0.23 112.91 118.91 2oqs h THR 72 Ca -0.19 -0.75 -0.27 0.00 0.77 0.00 0.00 66.41 65.97 2oqs h THR 72 Cb 2.05 0.66 0.01 0.00 -1.74 0.00 0.00 68.15 69.12 2oqs h THR 72 CO 0.22 0.28 -1.15 0.00 0.37 0.00 0.00 175.52 175.24 2oqs h ALA 73 N 1.39 0.15 -0.06 6.16 0.00 -1.06 -1.40 119.26 124.44 2oqs h ALA 73 Ca 0.17 -0.79 -0.15 0.00 0.00 0.00 0.00 54.91 54.14 2oqs h ALA 73 Cb 0.25 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2oqs h ALA 73 CO -0.01 0.83 -0.65 -0.07 0.00 0.00 0.00 179.25 179.35 2oqs h LEU 74 N 0.19 0.26 0.00 0.00 -0.00 -1.30 -3.08 115.31 111.38 2oqs h LEU 74 Ca -0.14 -0.16 -0.06 0.00 -0.00 0.00 0.00 57.88 57.53 2oqs h LEU 74 Cb 1.83 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 42.41 2oqs h LEU 74 CO 0.20 0.84 -0.41 0.07 -0.00 0.00 0.00 178.44 179.14 2oqs h LYS 75 N 0.16 0.00 -4.10 1.13 2.10 -0.57 -3.40 116.57 111.89 2oqs h LYS 75 Ca -0.01 0.00 -0.66 0.00 -2.00 0.00 0.00 60.65 57.97 2oqs h LYS 75 Cb 1.17 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.51 2oqs h LYS 75 CO 0.10 0.24 2.80 -1.71 -2.00 0.00 0.00 179.45 178.88 2oqs n ASN 76 N -3.10 3.66 -4.13 7.07 5.15 -0.53 -4.87 115.26 118.51 2oqs n ASN 76 Ca 0.02 -2.72 -0.24 0.00 -0.60 0.00 0.00 54.58 51.04 2oqs n ASN 76 Cb 0.64 -1.39 -0.15 0.00 -0.53 0.00 0.00 39.78 38.35 2oqs n ASN 76 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2oqs s THR 77 N 3.90 1.22 0.00 -0.44 -1.32 -1.26 -4.99 115.64 112.76 2oqs s THR 77 Ca 0.52 -0.65 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 2oqs s THR 77 Cb 0.14 -1.03 0.00 0.00 -1.51 0.00 0.00 72.50 70.10 2oqs s THR 77 CO 0.00 0.35 0.00 -1.20 -2.21 0.00 0.00 174.62 171.56 2oqs n SER 78 N 2.79 0.00 -0.08 8.08 7.64 -1.26 -5.02 113.62 125.76 2oqs n SER 78 Ca -0.15 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.64 2oqs n SER 78 Cb 0.54 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.71 2oqs n SER 78 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2oqs n ASP 79 N -1.14 1.85 -4.41 6.43 9.92 -1.26 -4.77 116.55 123.16 2oqs n ASP 79 Ca 0.00 0.54 -0.21 0.00 -0.53 0.00 0.00 54.79 54.59 2oqs n ASP 79 Cb 0.00 -0.86 -0.10 0.00 -0.64 0.00 0.00 41.12 39.52 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 -2.39 1.88 -0.06 1.24 0.08 -1.26 -2.44 117.98 115.02 2oqs s PHE 80 Ca -0.20 -1.01 -0.03 0.00 0.12 0.00 0.00 56.93 55.81 2oqs s PHE 80 Cb 0.04 -1.21 0.04 0.00 -0.57 0.00 0.00 43.02 41.32 2oqs s PHE 80 CO 0.32 -0.07 0.11 0.08 -0.10 0.00 0.00 175.22 175.56 2oqs s VAL 81 N -3.39 -0.18 -0.53 -0.44 1.01 0.67 -4.85 120.40 112.70 2oqs s VAL 81 Ca 0.36 0.38 -0.13 0.00 0.00 0.00 0.00 61.98 62.60 2oqs s VAL 81 Cb 0.08 -0.23 0.13 0.00 0.00 0.00 0.00 36.38 36.37 2oqs s VAL 81 CO 0.15 0.16 0.46 -0.47 0.00 0.00 0.00 175.10 175.39 2oqs s TYR 82 N 2.23 3.35 -0.03 5.22 6.14 -1.26 -1.79 117.35 131.20 2oqs s TYR 82 Ca 0.04 -1.57 -0.28 0.00 0.64 0.00 0.00 57.07 55.90 2oqs s TYR 82 Cb -0.12 -3.68 -0.03 0.00 0.42 0.00 0.00 41.96 38.55 2oqs s TYR 82 CO -0.04 -1.01 0.89 -1.17 0.64 0.00 0.00 175.55 174.86 2oqs s LEU 83 N 1.41 4.35 -0.27 6.97 2.96 -1.06 -3.15 118.68 129.88 2oqs s LEU 83 Ca 0.05 1.50 -0.02 0.00 -0.22 0.00 0.00 54.13 55.45 2oqs s LEU 83 Cb -0.27 -3.41 0.04 0.00 0.50 0.00 0.00 46.19 43.04 2oqs s LEU 83 CO 0.01 -0.22 -0.04 -0.54 -1.32 0.00 0.00 176.35 174.23 2oqs s LYS 84 N 1.00 2.67 -0.09 1.98 -0.14 0.22 -1.89 119.74 123.51 2oqs s LYS 84 Ca 0.47 -1.09 0.04 0.00 -1.36 0.00 0.00 55.97 54.03 2oqs s LYS 84 Cb -0.20 -3.06 -0.01 0.00 -1.68 0.00 0.00 37.83 32.88 2oqs s LYS 84 CO 0.24 -0.48 -0.21 0.14 -0.76 0.00 0.00 175.35 174.28 2oqs s VAL 85 N 1.29 2.42 0.23 3.17 -7.23 -0.06 0.16 120.40 120.39 2oqs s VAL 85 Ca -0.02 -0.91 -0.00 0.00 -1.81 0.00 0.00 61.98 59.23 2oqs s VAL 85 Cb -0.18 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 2oqs s VAL 85 CO -0.03 0.56 0.42 0.00 -0.31 0.00 0.00 175.10 175.74 2oqs s ALA 86 N 0.03 3.80 0.01 1.32 0.00 -1.24 -1.95 121.76 123.74 2oqs s ALA 86 Ca -0.08 -0.85 -0.16 0.00 0.00 0.00 0.00 51.96 50.87 2oqs s ALA 86 Cb -0.15 -2.02 -0.06 0.00 0.00 0.00 0.00 23.12 20.89 2oqs s ALA 86 CO 0.05 0.34 0.46 0.15 0.00 0.00 0.00 175.76 176.76 2oqs s LYS 87 N -3.54 4.04 0.79 0.00 -0.14 -1.26 -4.61 119.74 115.03 2oqs s LYS 87 Ca 0.39 0.51 -0.11 0.00 -1.36 0.00 0.00 55.97 55.41 2oqs s LYS 87 Cb -0.11 -3.24 0.07 0.00 -1.68 0.00 0.00 37.83 32.87 2oqs s LYS 87 CO 0.30 0.63 1.10 -1.25 -0.76 0.00 0.00 175.35 175.37 2oqs s PRO 88 N -0.95 2.08 -0.07 -1.68 0.04 -1.26 -5.07 135.00 128.09 2oqs s PRO 88 Ca 0.25 1.18 0.01 0.00 0.04 0.00 0.00 61.00 62.48 2oqs s PRO 88 Cb -0.17 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.51 2oqs s PRO 88 CO 0.15 -1.77 -0.06 0.99 0.04 0.00 0.00 177.00 176.34 2oqs s THR 89 N -2.88 0.76 -0.20 1.26 2.01 -1.26 -5.12 115.64 110.22 2oqs s THR 89 Ca 0.62 -0.20 -0.29 0.00 0.31 0.00 0.00 61.69 62.13 2oqs s THR 89 Cb -0.18 -0.78 -0.01 0.00 0.01 0.00 0.00 72.50 71.55 2oqs s THR 89 CO 0.56 0.30 1.22 -0.83 -0.69 0.00 0.00 174.62 175.18 2oqs s GLY 90 N 1.23 1.62 0.04 4.40 0.00 -1.26 -4.92 107.32 108.43 2oqs s GLY 90 Ca -0.05 0.35 -0.16 0.00 0.00 0.00 0.00 44.72 44.85 2oqs s GLY 90 CO -0.02 2.45 1.09 1.48 0.00 0.00 0.00 173.10 178.10 2oqs h SER 91 N 8.22 0.81 0.00 1.64 4.64 -2.07 -3.58 113.55 123.21 2oqs h SER 91 Ca -0.25 -0.82 0.00 0.00 -0.47 0.00 0.00 61.79 60.25 2oqs h SER 91 Cb 1.09 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2oqs h SER 91 CO 0.98 1.54 0.00 1.57 -0.87 0.00 0.00 176.83 180.05