#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 1.09 -0.02 0.03 1.03 -1.26 -1.26 118.70 118.30 2oqs s GLU 2 Ca 0.00 -1.43 -0.02 0.00 0.03 0.00 0.00 54.97 53.54 2oqs s GLU 2 Cb 0.00 -0.73 0.01 0.00 -0.80 0.00 0.00 34.13 32.61 2oqs s GLU 2 CO 0.00 0.10 0.07 0.42 -1.33 0.00 0.00 175.26 174.52 2oqs s ILE 3 N -3.09 -0.00 -0.73 1.83 1.09 -0.77 -5.02 121.20 114.50 2oqs s ILE 3 Ca 0.16 0.00 -0.10 0.00 -1.10 0.00 0.00 60.65 59.61 2oqs s ILE 3 Cb 0.01 -0.10 0.19 0.00 -1.06 0.00 0.00 42.46 41.50 2oqs s ILE 3 CO 0.02 0.00 0.63 -0.75 -0.10 0.00 0.00 174.94 174.74 2oqs s LYS 4 N 0.04 3.18 -0.11 2.79 2.47 -1.26 -2.56 119.74 124.28 2oqs s LYS 4 Ca -0.00 -2.43 -0.21 0.00 -1.56 0.00 0.00 55.97 51.77 2oqs s LYS 4 Cb -0.00 -4.16 -0.04 0.00 -1.46 0.00 0.00 37.83 32.17 2oqs s LYS 4 CO 0.00 -1.25 0.58 -1.17 0.16 0.00 0.00 175.35 173.68 2oqs s LEU 5 N 0.18 4.27 -0.15 5.43 0.20 -0.99 -4.97 118.68 122.66 2oqs s LEU 5 Ca 0.17 0.96 -0.18 0.00 0.69 0.00 0.00 54.13 55.76 2oqs s LEU 5 Cb -0.15 -2.87 -0.04 0.00 -0.43 0.00 0.00 46.19 42.70 2oqs s LEU 5 CO -0.06 -0.08 0.49 -0.51 -0.29 0.00 0.00 176.35 175.90 2oqs s ILE 6 N 0.87 5.15 -0.45 6.68 2.07 -1.26 -0.93 121.20 133.33 2oqs s ILE 6 Ca 0.31 0.95 -0.28 0.00 -1.41 0.00 0.00 60.65 60.22 2oqs s ILE 6 Cb -0.16 -3.83 -0.00 0.00 0.13 0.00 0.00 42.46 38.60 2oqs s ILE 6 CO 0.13 0.26 1.57 -0.75 -1.91 0.00 0.00 174.94 174.24 2oqs s LYS 7 N 1.06 3.34 0.00 3.50 2.47 0.70 -4.97 119.74 125.83 2oqs s LYS 7 Ca 0.25 0.92 0.00 0.00 -1.56 0.00 0.00 55.97 55.58 2oqs s LYS 7 Cb -0.15 -4.14 0.00 0.00 -1.46 0.00 0.00 37.83 32.08 2oqs s LYS 7 CO 0.10 -1.86 0.00 0.41 0.16 0.00 0.00 175.35 174.16 2oqs n GLY 8 N 5.29 1.87 1.18 5.54 0.00 -1.26 -4.84 105.19 112.96 2oqs n GLY 8 Ca 0.18 -2.08 -0.02 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.57 1.10 0.00 1.61 -0.02 -1.26 -4.24 135.00 131.62 2oqs n PRO 9 Ca 0.00 -0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 2oqs n PRO 9 Cb 0.00 -1.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 2oqs n PRO 9 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2oqs n LYS 10 N 0.55 0.00 0.00 -0.52 4.76 -1.26 -5.19 118.16 116.51 2oqs n LYS 10 Ca 0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 2oqs n LYS 10 Cb 0.57 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.76 2oqs n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2oqs n GLY 11 N 2.19 2.45 0.24 0.72 0.00 -1.26 -4.90 105.19 104.63 2oqs n GLY 11 Ca 0.00 -2.05 -0.06 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.61 -1.72 0.99 4.32 -1.26 -2.08 117.00 116.64 2oqs n LEU 12 Ca 0.00 1.17 -0.07 0.00 -0.02 0.00 0.00 56.01 57.09 2oqs n LEU 12 Cb 0.00 -0.21 0.03 0.00 -1.62 0.00 0.00 43.42 41.62 2oqs n LEU 12 CO 0.00 -0.91 0.06 0.61 -1.22 0.00 0.00 177.39 175.94 2oqs n GLY 13 N -1.14 0.30 1.56 -0.72 0.00 -1.26 0.85 105.19 104.77 2oqs n GLY 13 Ca 0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.77 -1.46 -4.41 1.61 1.16 -1.26 0.65 117.46 110.98 2oqs n PHE 14 Ca -0.05 -0.73 -0.20 0.00 -1.87 0.00 0.00 57.45 54.60 2oqs n PHE 14 Cb 0.54 0.36 -0.11 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 -1.88 2.10 0.27 5.98 1.04 0.29 -4.88 113.70 116.62 2oqs s SER 15 Ca 0.07 -1.37 -0.17 0.00 0.48 0.00 0.00 55.95 54.96 2oqs s SER 15 Cb -0.02 -0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.08 2oqs s SER 15 CO 0.04 -0.62 0.61 0.27 0.98 0.00 0.00 173.24 174.52 2oqs s ILE 16 N -3.40 0.00 0.17 -1.02 -0.00 -1.26 -2.02 121.20 113.68 2oqs s ILE 16 Ca 0.36 -1.20 0.01 0.00 -0.00 0.00 0.00 60.65 59.83 2oqs s ILE 16 Cb 0.08 -2.14 -0.05 0.00 -0.00 0.00 0.00 42.46 40.36 2oqs s ILE 16 CO 0.15 0.00 0.02 0.00 -0.00 0.00 0.00 174.94 175.11 2oqs s ALA 17 N -3.88 1.30 0.00 2.27 0.00 0.10 -4.72 121.76 116.83 2oqs s ALA 17 Ca 0.17 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.53 2oqs s ALA 17 Cb -0.03 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.75 2oqs s ALA 17 CO 0.08 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.89 2oqs n GLY 18 N -0.24 2.72 0.00 0.00 0.00 -1.14 -1.82 105.19 104.71 2oqs n GLY 18 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.15 2.53 3.77 -0.02 0.00 -0.97 0.26 105.19 110.60 2oqs n GLY 19 Ca 0.00 -1.87 -0.39 0.00 0.00 0.00 0.00 46.02 43.76 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 -2.71 2.62 0.00 1.61 0.11 -1.26 0.32 120.40 121.09 2oqs s VAL 20 Ca 0.00 0.54 0.00 0.00 -2.93 0.00 0.00 61.98 59.59 2oqs s VAL 20 Cb 0.00 -3.31 0.00 0.00 -1.53 0.00 0.00 36.38 31.54 2oqs s VAL 20 CO 0.00 0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.45 2oqs n GLY 21 N 0.65 2.99 0.90 6.54 0.00 -1.26 -4.61 105.19 110.41 2oqs n GLY 21 Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 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 0.52 -4.71 1.61 6.94 -0.98 -5.12 115.26 113.52 2oqs n ASN 22 Ca 0.00 -2.08 -0.38 0.00 -0.02 0.00 0.00 54.58 52.11 2oqs n ASN 22 Cb 0.00 -0.26 0.06 0.00 -2.36 0.00 0.00 39.78 37.22 2oqs n ASN 22 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2oqs n GLN 23 N 0.14 1.30 0.08 -3.83 6.02 0.15 -2.88 117.38 118.36 2oqs n GLN 23 Ca 0.03 0.49 0.05 0.00 -0.01 0.00 0.00 57.00 57.57 2oqs n GLN 23 Cb 0.88 -2.48 -0.03 0.00 1.02 0.00 0.00 30.24 29.64 2oqs n GLN 23 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2oqs h HIS 24 N 0.88 0.00 -2.03 1.08 -0.00 -1.83 -3.45 115.15 109.81 2oqs h HIS 24 Ca -0.50 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 59.88 2oqs h HIS 24 Cb 1.33 0.00 -0.21 0.00 -0.00 0.00 0.00 27.41 28.53 2oqs h HIS 24 CO 0.42 0.33 0.01 0.96 -0.00 0.00 0.00 177.93 179.65 2oqs s ILE 25 N -3.11 -0.00 -0.01 6.26 -4.36 -1.26 -5.07 121.20 113.65 2oqs s ILE 25 Ca -0.01 0.00 -0.34 0.00 -0.26 0.00 0.00 60.65 60.04 2oqs s ILE 25 Cb 0.09 -0.98 -0.13 0.00 1.25 0.00 0.00 42.46 42.69 2oqs s ILE 25 CO 0.79 0.00 1.75 -2.65 0.24 0.00 0.00 174.94 175.08 2oqs n PRO 26 N 4.26 2.07 0.00 0.37 -0.02 -1.26 -2.67 135.00 137.75 2oqs n PRO 26 Ca -0.20 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2oqs n PRO 26 Cb 0.59 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 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 3.99 3.27 3.28 -1.23 0.00 -1.26 -5.03 105.19 108.21 2oqs n GLY 27 Ca 0.21 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 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 4.86 -0.06 1.61 1.01 -1.09 -4.97 116.67 118.03 2oqs s ASP 28 Ca 0.00 -0.82 0.06 0.00 0.71 0.00 0.00 52.55 52.50 2oqs s ASP 28 Cb 0.00 -1.80 0.26 0.00 1.01 0.00 0.00 42.92 42.39 2oqs s ASP 28 CO 0.00 -0.18 0.99 0.59 0.21 0.00 0.00 175.17 176.78 2oqs n ASN 29 N 4.78 2.26 -4.89 0.27 3.02 -1.26 -4.28 115.26 115.16 2oqs n ASN 29 Ca -0.15 -2.23 -0.29 0.00 -0.03 0.00 0.00 54.58 51.88 2oqs n ASN 29 Cb 0.47 -0.46 0.02 0.00 -0.61 0.00 0.00 39.78 39.20 2oqs n ASN 29 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2oqs s SER 30 N -0.46 5.98 -0.10 6.41 1.04 -1.26 -2.29 113.70 123.01 2oqs s SER 30 Ca 0.18 1.09 -0.30 0.00 0.48 0.00 0.00 55.95 57.40 2oqs s SER 30 Cb 0.13 -2.16 -0.03 0.00 0.10 0.00 0.00 66.02 64.06 2oqs s SER 30 CO 0.07 -0.91 1.26 -0.63 0.98 0.00 0.00 173.24 174.01 2oqs s ILE 31 N -3.05 4.20 0.07 -1.02 -1.09 -1.08 -4.55 121.20 114.68 2oqs s ILE 31 Ca 0.53 1.50 0.09 0.00 -2.23 0.00 0.00 60.65 60.54 2oqs s ILE 31 Cb -0.11 -3.97 -0.03 0.00 -1.58 0.00 0.00 42.46 36.77 2oqs s ILE 31 CO 0.49 -0.06 -0.22 -0.31 -1.23 0.00 0.00 174.94 173.62 2oqs s TYR 32 N 2.83 2.46 -0.07 3.97 1.51 -0.76 0.55 117.35 127.85 2oqs s TYR 32 Ca 0.57 -0.32 -0.30 0.00 -1.01 0.00 0.00 57.07 56.01 2oqs s TYR 32 Cb -0.24 -1.39 -0.02 0.00 -0.11 0.00 0.00 41.96 40.20 2oqs s TYR 32 CO 0.19 0.26 1.03 0.08 -1.11 0.00 0.00 175.55 176.01 2oqs s VAL 33 N -0.96 4.71 -0.13 0.71 1.01 -1.20 0.00 120.40 124.54 2oqs s VAL 33 Ca 0.14 1.97 0.19 0.00 0.00 0.00 0.00 61.98 64.28 2oqs s VAL 33 Cb -0.10 -4.27 -0.21 0.00 0.00 0.00 0.00 36.38 31.81 2oqs s VAL 33 CO 0.06 0.04 0.56 0.35 0.00 0.00 0.00 175.10 176.11 2oqs n THR 34 N 4.42 0.90 -3.62 3.92 -2.24 -0.86 -2.65 114.28 114.15 2oqs n THR 34 Ca 0.09 -0.68 -0.02 0.00 -2.27 0.00 0.00 64.05 61.17 2oqs n THR 34 Cb 0.49 -0.46 -0.06 0.00 -2.10 0.00 0.00 70.33 68.19 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 -2.99 0.37 -0.22 -0.78 2.20 -1.25 -4.96 119.74 112.10 2oqs s LYS 35 Ca -0.06 0.66 -0.09 0.00 -0.36 0.00 0.00 55.97 56.12 2oqs s LYS 35 Cb 0.09 0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.48 2oqs s LYS 35 CO 0.84 -0.08 0.11 0.42 -0.36 0.00 0.00 175.35 176.28 2oqs s ILE 36 N 1.44 4.99 0.42 5.43 1.01 -1.26 0.11 121.20 133.33 2oqs s ILE 36 Ca -0.08 0.05 -0.19 0.00 0.00 0.00 0.00 60.65 60.42 2oqs s ILE 36 Cb -0.04 -3.31 -0.10 0.00 0.01 0.00 0.00 42.46 39.02 2oqs s ILE 36 CO -0.15 0.38 0.91 -0.63 0.00 0.00 0.00 174.94 175.45 2oqs s ILE 37 N 0.95 4.47 0.52 2.92 1.09 0.21 -4.95 121.20 126.41 2oqs s ILE 37 Ca 0.06 1.34 -0.22 0.00 -1.10 0.00 0.00 60.65 60.73 2oqs s ILE 37 Cb -0.13 -3.62 -0.06 0.00 -1.06 0.00 0.00 42.46 37.59 2oqs s ILE 37 CO 0.03 -0.35 1.23 -1.61 -0.10 0.00 0.00 174.94 174.15 2oqs s GLU 38 N -3.27 3.39 -1.05 2.79 2.02 -1.26 -2.78 118.70 118.54 2oqs s GLU 38 Ca 0.60 1.93 0.00 0.00 0.02 0.00 0.00 54.97 57.52 2oqs s GLU 38 Cb -0.09 -2.25 0.00 0.00 0.10 0.00 0.00 34.13 31.89 2oqs s GLU 38 CO 0.16 -0.90 0.00 0.41 0.02 0.00 0.00 175.26 174.96 2oqs n GLY 39 N 0.54 1.01 3.95 -1.39 0.00 -1.26 -4.98 105.19 103.05 2oqs n GLY 39 Ca 0.10 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.45 1.67 0.15 -0.02 0.00 -1.12 -4.82 107.32 100.74 2oqs s GLY 40 Ca 0.00 -1.02 -0.27 0.00 0.00 0.00 0.00 44.72 43.42 2oqs s GLY 40 CO 0.00 -0.75 1.57 0.00 0.00 0.00 0.00 173.10 173.92 2oqs h ALA 41 N -0.01 -0.43 0.01 3.20 0.00 0.10 0.40 119.26 122.53 2oqs h ALA 41 Ca -0.44 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 2oqs h ALA 41 Cb 1.28 0.91 0.00 0.00 0.00 0.00 0.00 17.79 19.97 2oqs h ALA 41 CO 0.57 -0.87 -0.00 0.00 0.00 0.00 0.00 179.25 178.95 2oqs h ALA 42 N 0.43 -0.01 -0.57 0.00 0.00 -1.84 -1.32 119.26 115.95 2oqs h ALA 42 Ca 0.14 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.05 2oqs h ALA 42 Cb 0.58 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 2oqs h ALA 42 CO -0.59 -0.40 0.09 1.25 0.00 0.00 0.00 179.25 179.61 2oqs h HIS 43 N -0.22 0.13 -0.56 0.00 6.17 -1.67 0.96 115.15 119.96 2oqs h HIS 43 Ca -0.00 0.04 -0.11 0.00 0.71 0.00 0.00 60.37 61.01 2oqs h HIS 43 Cb 0.22 0.03 -0.02 0.00 2.52 0.00 0.00 27.41 30.16 2oqs h HIS 43 CO -0.00 -0.06 -0.08 0.87 0.71 0.00 0.00 177.93 179.37 2oqs h LYS 44 N 0.22 1.04 0.18 5.26 1.57 -0.16 -3.20 116.57 121.47 2oqs h LYS 44 Ca 0.30 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2oqs h LYS 44 Cb 0.44 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2oqs h LYS 44 CO -0.41 1.06 -0.09 0.22 -0.57 0.00 0.00 179.45 179.67 2oqs h ASP 45 N 0.93 -0.20 0.00 0.86 1.82 -0.21 -3.47 116.42 116.16 2oqs h ASP 45 Ca 0.15 -0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 2oqs h ASP 45 Cb 0.65 0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.71 2oqs h ASP 45 CO 0.04 -0.03 0.00 0.61 -1.61 0.00 0.00 179.24 178.26 2oqs n GLY 46 N -0.83 3.10 0.29 -0.78 0.00 0.23 -4.87 105.19 102.34 2oqs n GLY 46 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 1.32 1.04 -5.88 1.61 3.64 -1.92 -3.42 116.57 112.96 2oqs h LYS 47 Ca 0.00 -0.39 -0.58 0.00 -1.27 0.00 0.00 60.65 58.42 2oqs h LYS 47 Cb 0.00 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.69 2oqs h LYS 47 CO 0.00 1.08 0.16 -1.17 -2.27 0.00 0.00 179.45 177.25 2oqs s LEU 48 N -9.21 4.23 0.02 5.20 0.20 -1.26 -5.06 118.68 112.80 2oqs s LEU 48 Ca -0.12 1.06 0.04 0.00 0.69 0.00 0.00 54.13 55.80 2oqs s LEU 48 Cb 0.13 -3.04 -0.02 0.00 -0.43 0.00 0.00 46.19 42.83 2oqs s LEU 48 CO 0.87 -0.22 -0.11 0.00 -0.29 0.00 0.00 176.35 176.59 2oqs s GLN 49 N 1.45 0.76 -0.21 1.98 0.00 -1.26 -4.71 119.66 117.67 2oqs s GLN 49 Ca 0.34 -0.59 -0.39 0.00 -0.00 0.00 0.00 55.36 54.72 2oqs s GLN 49 Cb -0.17 -0.71 -0.16 0.00 0.00 0.00 0.00 33.01 31.97 2oqs s GLN 49 CO 0.14 0.18 1.67 -0.89 0.00 0.00 0.00 175.29 176.39 2oqs n ILE 50 N 2.18 0.25 0.00 3.63 5.41 -1.26 -2.07 119.36 127.50 2oqs n ILE 50 Ca -0.17 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.53 2oqs n ILE 50 Cb 0.56 -1.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.33 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 3.88 1.84 3.76 7.39 0.00 -1.08 -5.01 105.19 115.96 2oqs n GLY 51 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.74 4.47 0.09 1.61 1.47 -0.88 -4.83 116.67 116.86 2oqs s ASP 52 Ca 0.00 1.91 0.05 0.00 1.18 0.00 0.00 52.55 55.70 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 -2.06 -0.03 -1.59 0.68 0.00 0.00 175.17 172.16 2oqs s LYS 53 N -4.68 2.42 -0.36 2.11 0.00 -1.26 -3.26 119.74 114.71 2oqs s LYS 53 Ca 0.63 -0.89 -0.12 0.00 0.00 0.00 0.00 55.97 55.60 2oqs s LYS 53 Cb -0.19 -2.47 0.00 0.00 0.00 0.00 0.00 37.83 35.18 2oqs s LYS 53 CO 0.53 0.53 0.23 -0.51 0.00 0.00 0.00 175.35 176.13 2oqs s LEU 54 N -2.22 4.59 -0.11 2.77 1.43 0.19 -4.03 118.68 121.30 2oqs s LEU 54 Ca 0.24 -0.67 -0.10 0.00 -1.03 0.00 0.00 54.13 52.57 2oqs s LEU 54 Cb -0.11 -2.09 -0.09 0.00 0.03 0.00 0.00 46.19 43.93 2oqs s LEU 54 CO 0.16 -0.30 0.26 0.25 0.23 0.00 0.00 176.35 176.95 2oqs h LEU 55 N 8.48 0.00 -7.45 1.79 5.85 0.54 -3.33 115.31 121.19 2oqs h LEU 55 Ca -0.29 -0.34 -0.10 0.00 0.84 0.00 0.00 57.88 57.98 2oqs h LEU 55 Cb 1.14 0.00 -0.19 0.00 0.37 0.00 0.00 40.66 41.98 2oqs h LEU 55 CO 0.66 0.68 -0.19 0.00 -0.34 0.00 0.00 178.44 179.24 2oqs s ALA 56 N -2.44 -0.89 -0.06 1.25 0.00 -0.25 0.09 121.76 119.46 2oqs s ALA 56 Ca -0.07 0.35 -0.03 0.00 0.00 0.00 0.00 51.96 52.21 2oqs s ALA 56 Cb -0.01 0.17 0.04 0.00 0.00 0.00 0.00 23.12 23.32 2oqs s ALA 56 CO 0.24 -0.34 0.10 0.14 0.00 0.00 0.00 175.76 175.90 2oqs s VAL 57 N -1.79 -0.16 -1.07 0.00 -7.23 0.26 0.51 120.40 110.92 2oqs s VAL 57 Ca -0.10 0.40 -0.03 0.00 -1.81 0.00 0.00 61.98 60.44 2oqs s VAL 57 Cb -0.03 -0.20 0.00 0.00 0.56 0.00 0.00 36.38 36.71 2oqs s VAL 57 CO 0.02 0.17 0.44 0.59 -0.31 0.00 0.00 175.10 176.01 2oqs n ASN 58 N 5.31 -4.74 0.00 4.85 4.13 -1.01 -2.53 115.26 121.26 2oqs n ASN 58 Ca -0.04 -0.21 0.00 0.00 1.68 0.00 0.00 54.58 56.02 2oqs n ASN 58 Cb 0.50 -3.59 0.00 0.00 -1.54 0.00 0.00 39.78 35.15 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 -1.22 0.00 -4.86 6.41 5.15 -1.26 -5.03 115.26 114.45 2oqs n ASN 59 Ca -0.07 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.57 2oqs n ASN 59 Cb 0.58 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.78 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 -1.85 4.89 -0.04 3.44 -7.23 -1.05 -5.06 120.40 113.50 2oqs s VAL 60 Ca 0.00 0.62 -0.25 0.00 -1.81 0.00 0.00 61.98 60.55 2oqs s VAL 60 Cb 0.00 -3.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.25 2oqs s VAL 60 CO 0.00 0.03 0.75 0.00 -0.31 0.00 0.00 175.10 175.57 2oqs n LEU 62 N 3.66 5.61 -0.01 0.00 7.94 0.11 -4.37 117.00 129.95 2oqs n LEU 62 Ca -0.00 -3.19 0.08 0.00 -1.11 0.00 0.00 56.01 51.78 2oqs n LEU 62 Cb 0.51 -0.70 -0.12 0.00 0.53 0.00 0.00 43.42 43.64 2oqs n LEU 62 CO 0.48 0.80 -0.68 -0.62 -1.11 0.00 0.00 177.39 176.26 2oqs n GLU 63 N -0.16 0.51 -2.61 1.96 1.02 -1.22 -2.63 120.64 117.51 2oqs n GLU 63 Ca 0.36 -0.14 -0.22 0.00 -0.02 0.00 0.00 57.16 57.14 2oqs n GLU 63 Cb 1.27 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 31.32 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 -2.04 2.66 -4.00 3.49 4.71 -1.26 -4.21 120.64 119.98 2oqs n GLU 64 Ca -0.03 -4.14 -0.08 0.00 -0.01 0.00 0.00 57.16 52.89 2oqs n GLU 64 Cb 0.41 -1.94 -0.10 0.00 -1.01 0.00 0.00 31.44 28.80 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 -4.61 0.16 1.04 2.62 -7.23 -1.26 -5.11 120.40 106.01 2oqs s VAL 65 Ca 0.42 -1.30 -0.12 0.00 -1.81 0.00 0.00 61.98 59.16 2oqs s VAL 65 Cb 0.40 -0.94 0.21 0.00 0.56 0.00 0.00 36.38 36.61 2oqs s VAL 65 CO -0.12 -0.72 1.08 0.42 -0.31 0.00 0.00 175.10 175.45 2oqs s THR 66 N -2.77 2.07 0.27 5.32 -4.23 -1.26 -3.50 115.64 111.55 2oqs s THR 66 Ca -0.04 0.02 -0.02 0.00 -1.18 0.00 0.00 61.69 60.48 2oqs s THR 66 Cb -0.00 -2.40 0.27 0.00 1.34 0.00 0.00 72.50 71.71 2oqs s THR 66 CO -0.06 -0.03 1.88 -0.74 -0.54 0.00 0.00 174.62 175.13 2oqs h HIS 67 N -2.09 1.19 -0.55 3.99 2.76 -0.51 -2.02 115.15 117.93 2oqs h HIS 67 Ca -0.56 0.03 0.11 0.00 -2.20 0.00 0.00 60.37 57.75 2oqs h HIS 67 Cb 1.33 -0.39 -0.09 0.00 1.55 0.00 0.00 27.41 29.81 2oqs h HIS 67 CO 0.29 0.60 0.00 0.93 -1.30 0.00 0.00 177.93 178.45 2oqs h GLU 68 N 1.15 0.12 -0.57 5.26 5.08 -1.91 0.37 114.58 124.09 2oqs h GLU 68 Ca 0.44 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.79 2oqs h GLU 68 Cb 0.21 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2oqs h GLU 68 CO -0.18 0.08 0.34 0.93 -1.00 0.00 0.00 179.01 179.18 2oqs h GLU 69 N 0.12 0.76 -0.87 2.33 4.39 -1.71 0.39 114.58 119.99 2oqs h GLU 69 Ca 0.28 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.94 2oqs h GLU 69 Cb 0.44 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.88 2oqs h GLU 69 CO -0.46 0.53 0.57 0.00 -1.16 0.00 0.00 179.01 178.49 2oqs h ALA 70 N 1.60 1.11 0.22 3.43 0.00 -0.69 0.18 119.26 125.11 2oqs h ALA 70 Ca 0.20 -0.06 -0.33 0.00 0.00 0.00 0.00 54.91 54.73 2oqs h ALA 70 Cb -0.03 -0.34 0.03 0.00 0.00 0.00 0.00 17.79 17.44 2oqs h ALA 70 CO -0.04 0.49 -1.46 0.28 0.00 0.00 0.00 179.25 178.53 2oqs h VAL 71 N 1.16 1.30 -0.57 0.00 2.07 -0.75 -2.86 116.25 116.60 2oqs h VAL 71 Ca 0.32 -2.77 -0.07 0.00 0.82 0.00 0.00 66.70 65.00 2oqs h VAL 71 Cb -0.11 3.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 2oqs h VAL 71 CO -0.08 0.83 0.07 0.74 0.02 0.00 0.00 177.57 179.15 2oqs h THR 72 N 0.13 1.25 -0.01 2.57 2.02 -0.01 0.79 112.91 119.65 2oqs h THR 72 Ca -0.24 -0.99 -0.26 0.00 0.77 0.00 0.00 66.41 65.69 2oqs h THR 72 Cb 2.13 0.74 0.02 0.00 -1.74 0.00 0.00 68.15 69.29 2oqs h THR 72 CO 0.25 0.36 -1.02 0.00 0.37 0.00 0.00 175.52 175.48 2oqs h ALA 73 N 1.19 0.16 0.00 6.16 0.00 -0.76 -0.18 119.26 125.83 2oqs h ALA 73 Ca 0.17 -0.69 -0.12 0.00 0.00 0.00 0.00 54.91 54.28 2oqs h ALA 73 Cb 0.42 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2oqs h ALA 73 CO 0.01 0.70 -0.55 -0.07 0.00 0.00 0.00 179.25 179.34 2oqs h LEU 74 N 0.40 0.00 0.00 0.00 4.07 -1.42 -3.06 115.31 115.30 2oqs h LEU 74 Ca -0.12 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.77 2oqs h LEU 74 Cb 1.67 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.40 2oqs h LEU 74 CO 0.20 0.55 -0.91 0.07 -1.08 0.00 0.00 178.44 177.27 2oqs h LYS 75 N 0.00 0.00 -4.03 1.13 2.10 -0.84 -3.41 116.57 111.52 2oqs h LYS 75 Ca -0.01 0.00 -0.70 0.00 -2.00 0.00 0.00 60.65 57.95 2oqs h LYS 75 Cb 0.99 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.30 2oqs h LYS 75 CO 0.07 0.17 3.03 -1.71 -2.00 0.00 0.00 179.45 179.01 2oqs n ASN 76 N -2.89 3.87 -4.18 7.07 5.15 -0.08 -4.89 115.26 119.31 2oqs n ASN 76 Ca -0.02 -2.80 -0.22 0.00 -0.60 0.00 0.00 54.58 50.94 2oqs n ASN 76 Cb 0.67 -1.56 -0.14 0.00 -0.53 0.00 0.00 39.78 38.22 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 3.45 1.31 0.00 -0.44 -4.23 -1.26 -4.97 115.64 109.50 2oqs s THR 77 Ca 0.50 -1.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.99 2oqs s THR 77 Cb 0.14 -1.15 0.00 0.00 1.34 0.00 0.00 72.50 72.83 2oqs s THR 77 CO -0.05 0.12 0.00 -1.54 -0.54 0.00 0.00 174.62 172.60 2oqs n SER 78 N 2.00 0.00 -0.12 3.99 3.41 -1.26 -5.00 113.62 116.64 2oqs n SER 78 Ca -0.17 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.21 2oqs n SER 78 Cb 0.54 -0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 64.39 2oqs n SER 78 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2oqs n ASP 79 N -1.29 1.87 -4.39 4.04 5.75 -1.26 -4.77 116.55 116.51 2oqs n ASP 79 Ca 0.00 0.17 -0.19 0.00 -0.01 0.00 0.00 54.79 54.76 2oqs n ASP 79 Cb 0.00 -0.61 -0.10 0.00 -1.03 0.00 0.00 41.12 39.38 2oqs n ASP 79 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2oqs s PHE 80 N -2.45 1.76 -0.05 2.11 0.40 -1.26 -0.21 117.98 118.28 2oqs s PHE 80 Ca -0.33 -0.99 -0.02 0.00 -0.60 0.00 0.00 56.93 54.99 2oqs s PHE 80 Cb 0.12 -1.09 0.04 0.00 0.51 0.00 0.00 43.02 42.59 2oqs s PHE 80 CO 0.46 -0.08 0.10 0.54 0.70 0.00 0.00 175.22 176.93 2oqs s VAL 81 N -3.43 -0.08 -0.53 -0.44 0.11 -0.11 -4.82 120.40 111.10 2oqs s VAL 81 Ca 0.35 0.23 -0.12 0.00 -2.93 0.00 0.00 61.98 59.51 2oqs s VAL 81 Cb 0.08 -0.18 0.13 0.00 -1.53 0.00 0.00 36.38 34.88 2oqs s VAL 81 CO 0.13 0.09 0.44 -0.47 -3.33 0.00 0.00 175.10 171.96 2oqs s TYR 82 N 1.30 3.38 -0.13 1.54 6.14 -1.26 -2.33 117.35 125.99 2oqs s TYR 82 Ca -0.07 -1.69 -0.23 0.00 0.64 0.00 0.00 57.07 55.71 2oqs s TYR 82 Cb -0.12 -3.63 -0.03 0.00 0.42 0.00 0.00 41.96 38.60 2oqs s TYR 82 CO -0.05 -1.00 0.71 -1.17 0.64 0.00 0.00 175.55 174.69 2oqs s LEU 83 N 1.32 4.23 -0.12 6.97 0.20 -1.06 -2.41 118.68 127.81 2oqs s LEU 83 Ca 0.06 1.09 0.02 0.00 0.69 0.00 0.00 54.13 55.99 2oqs s LEU 83 Cb -0.26 -3.07 -0.00 0.00 -0.43 0.00 0.00 46.19 42.43 2oqs s LEU 83 CO -0.00 -0.23 -0.20 -0.54 -0.29 0.00 0.00 176.35 175.09 2oqs s LYS 84 N 1.45 3.15 -0.06 1.98 1.02 0.18 -1.85 119.74 125.61 2oqs s LYS 84 Ca 0.35 -0.81 0.05 0.00 0.02 0.00 0.00 55.97 55.58 2oqs s LYS 84 Cb -0.17 -2.43 -0.01 0.00 -0.52 0.00 0.00 37.83 34.70 2oqs s LYS 84 CO 0.14 0.15 -0.22 0.08 -0.92 0.00 0.00 175.35 174.59 2oqs s VAL 85 N 0.44 1.83 0.18 3.17 1.01 -0.39 0.11 120.40 126.75 2oqs s VAL 85 Ca -0.14 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 60.95 2oqs s VAL 85 Cb -0.17 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 2oqs s VAL 85 CO 0.06 0.51 0.14 0.00 0.00 0.00 0.00 175.10 175.82 2oqs s ALA 86 N -0.03 3.57 -0.36 5.51 0.00 -1.26 -4.42 121.76 124.77 2oqs s ALA 86 Ca -0.05 -1.24 -0.03 0.00 0.00 0.00 0.00 51.96 50.64 2oqs s ALA 86 Cb -0.13 -1.35 0.08 0.00 0.00 0.00 0.00 23.12 21.71 2oqs s ALA 86 CO 0.04 0.47 0.11 0.21 0.00 0.00 0.00 175.76 176.59 2oqs s LYS 87 N -3.19 2.22 0.44 0.00 2.20 -1.26 -4.68 119.74 115.46 2oqs s LYS 87 Ca 0.31 -1.54 -0.26 0.00 -0.36 0.00 0.00 55.97 54.13 2oqs s LYS 87 Cb -0.10 -3.40 -0.09 0.00 -1.51 0.00 0.00 37.83 32.73 2oqs s LYS 87 CO 0.23 -0.85 1.41 -0.35 -0.36 0.00 0.00 175.35 175.44 2oqs n PRO 88 N 4.62 2.24 -3.63 4.03 -0.04 -1.26 -5.03 135.00 135.94 2oqs n PRO 88 Ca -0.07 0.80 -0.13 0.00 -0.04 0.00 0.00 63.50 64.06 2oqs n PRO 88 Cb 0.42 -2.60 -0.07 0.00 -0.04 0.00 0.00 33.50 31.22 2oqs n PRO 88 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2oqs s THR 89 N -1.19 0.00 0.00 0.52 -1.32 -1.26 -4.94 115.64 107.45 2oqs s THR 89 Ca 0.60 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.08 2oqs s THR 89 Cb -0.46 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.53 2oqs s THR 89 CO 0.58 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.60 2oqs n GLY 90 N 2.42 0.70 0.16 6.08 0.00 -1.26 -4.96 105.19 108.34 2oqs n GLY 90 Ca -0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 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 0.71 0.00 1.61 0.02 -2.01 -3.56 113.55 110.31 2oqs h SER 91 Ca 0.00 -0.78 0.00 0.00 -0.84 0.00 0.00 61.79 60.17 2oqs h SER 91 Cb 0.00 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.32 2oqs h SER 91 CO 0.00 1.40 0.00 1.41 -1.14 0.00 0.00 176.83 178.50