#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 3.40 -0.09 2.12 1.03 -1.26 -0.83 118.70 123.07 2oqs s GLU 2 Ca 0.00 -0.59 -0.04 0.00 0.03 0.00 0.00 54.97 54.36 2oqs s GLU 2 Cb 0.00 -2.95 0.05 0.00 -0.80 0.00 0.00 34.13 30.42 2oqs s GLU 2 CO 0.00 0.53 0.21 0.42 -1.33 0.00 0.00 175.26 175.09 2oqs s ILE 3 N -1.71 -0.13 -0.85 1.83 1.09 -0.90 -5.01 121.20 115.53 2oqs s ILE 3 Ca 0.34 0.21 -0.17 0.00 -1.10 0.00 0.00 60.65 59.93 2oqs s ILE 3 Cb -0.11 -0.34 0.16 0.00 -1.06 0.00 0.00 42.46 41.11 2oqs s ILE 3 CO 0.28 0.09 0.93 -0.54 -0.10 0.00 0.00 174.94 175.60 2oqs s LYS 4 N 1.56 3.53 -0.08 2.79 1.02 -1.26 -2.71 119.74 124.58 2oqs s LYS 4 Ca -0.06 -1.98 -0.20 0.00 0.02 0.00 0.00 55.97 53.75 2oqs s LYS 4 Cb -0.11 -4.64 -0.04 0.00 -0.52 0.00 0.00 37.83 32.52 2oqs s LYS 4 CO -0.07 -1.55 0.56 -0.51 -0.92 0.00 0.00 175.35 172.85 2oqs s LEU 5 N 1.69 4.31 -0.16 3.17 1.43 -1.01 -4.95 118.68 123.15 2oqs s LEU 5 Ca 0.24 0.98 -0.21 0.00 -1.03 0.00 0.00 54.13 54.11 2oqs s LEU 5 Cb -0.09 -2.84 -0.03 0.00 0.03 0.00 0.00 46.19 43.25 2oqs s LEU 5 CO -0.07 -0.01 0.60 -0.51 0.23 0.00 0.00 176.35 176.59 2oqs s ILE 6 N 0.53 5.06 -0.00 -0.59 2.07 -1.26 -0.94 121.20 126.07 2oqs s ILE 6 Ca 0.30 1.17 -0.30 0.00 -1.41 0.00 0.00 60.65 60.41 2oqs s ILE 6 Cb -0.16 -3.93 -0.08 0.00 0.13 0.00 0.00 42.46 38.42 2oqs s ILE 6 CO 0.14 0.18 1.95 -0.75 -1.91 0.00 0.00 174.94 174.55 2oqs s LYS 7 N 1.45 4.04 0.32 3.50 2.47 -0.16 -4.97 119.74 126.39 2oqs s LYS 7 Ca 0.29 2.49 0.08 0.00 -1.56 0.00 0.00 55.97 57.27 2oqs s LYS 7 Cb -0.16 -4.16 -0.03 0.00 -1.46 0.00 0.00 37.83 32.02 2oqs s LYS 7 CO 0.12 -1.06 0.24 0.20 0.16 0.00 0.00 175.35 175.00 2oqs s GLY 8 N 4.69 1.74 0.25 5.54 0.00 -1.26 -4.93 107.32 113.36 2oqs s GLY 8 Ca 0.88 -1.64 -0.03 0.00 0.00 0.00 0.00 44.72 43.93 2oqs s GLY 8 CO 0.39 -1.59 1.79 -2.55 0.00 0.00 0.00 173.10 171.14 2oqs h PRO 9 N 1.36 0.70 0.19 2.90 0.11 -2.01 -3.08 132.00 132.17 2oqs h PRO 9 Ca -0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2oqs h PRO 9 Cb 1.25 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2oqs h PRO 9 CO 0.60 0.46 -0.09 0.87 -0.21 0.00 0.00 178.00 179.63 2oqs h LYS 10 N 0.72 -0.24 0.00 1.05 1.79 -2.00 -3.50 116.57 114.39 2oqs h LYS 10 Ca 0.43 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.92 2oqs h LYS 10 Cb 0.50 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2oqs h LYS 10 CO -0.30 -0.16 0.00 0.41 -1.08 0.00 0.00 179.45 178.32 2oqs n GLY 11 N -1.13 0.09 0.08 3.86 0.00 -1.17 -4.94 105.19 101.98 2oqs n GLY 11 Ca -0.03 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.14 0.99 4.07 -1.93 -3.39 115.31 114.91 2oqs h LEU 12 Ca 0.00 -0.65 0.00 0.00 0.08 0.00 0.00 57.88 57.31 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 1.04 0.00 0.61 -1.08 0.00 0.00 178.44 179.01 2oqs n GLY 13 N 1.59 0.83 1.80 0.83 0.00 -1.26 0.27 105.19 109.24 2oqs n GLY 13 Ca -0.14 -0.63 -0.04 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.57 -4.45 1.61 1.16 -1.26 0.84 117.46 110.84 2oqs n PHE 14 Ca 0.00 -0.85 -0.22 0.00 -1.87 0.00 0.00 57.45 54.51 2oqs n PHE 14 Cb 0.37 0.42 -0.10 0.00 -1.61 0.00 0.00 39.48 38.57 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 -2.01 2.31 0.25 5.98 1.04 0.15 -4.90 113.70 116.53 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 0.18 0.01 0.00 0.10 0.00 0.00 66.02 66.28 2oqs s SER 15 CO 0.05 -0.75 0.56 0.27 0.98 0.00 0.00 173.24 174.36 2oqs s ILE 16 N -3.35 0.00 0.15 -1.02 -0.00 -1.26 -2.70 121.20 113.02 2oqs s ILE 16 Ca 0.32 -1.22 0.01 0.00 -0.00 0.00 0.00 60.65 59.76 2oqs s ILE 16 Cb 0.06 -2.08 -0.04 0.00 -0.00 0.00 0.00 42.46 40.40 2oqs s ILE 16 CO 0.15 -0.01 0.01 0.00 -0.00 0.00 0.00 174.94 175.09 2oqs s ALA 17 N -3.97 1.16 0.00 2.27 0.00 0.10 -4.75 121.76 116.57 2oqs s ALA 17 Ca 0.17 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.61 2oqs s ALA 17 Cb -0.03 0.59 0.00 0.00 0.00 0.00 0.00 23.12 23.68 2oqs s ALA 17 CO 0.07 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.88 2oqs n GLY 18 N -0.17 2.89 0.00 0.00 0.00 -1.11 -1.98 105.19 104.82 2oqs n GLY 18 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.33 2.40 3.76 -0.02 0.00 -0.77 0.32 105.19 110.55 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 0.14 0.00 0.00 0.00 173.32 173.46 2oqs s VAL 20 N -2.95 2.58 0.00 1.61 1.01 -1.26 0.51 120.40 121.89 2oqs s VAL 20 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.51 2oqs s VAL 20 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 33.04 2oqs s VAL 20 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.82 2oqs n GLY 21 N 1.44 3.12 0.27 4.51 0.00 -1.26 -4.65 105.19 108.63 2oqs n GLY 21 Ca 0.03 0.00 0.03 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 0.01 0.77 -4.66 1.61 0.23 -0.95 -5.11 115.26 107.16 2oqs n ASN 22 Ca 0.00 -2.13 -0.41 0.00 -0.53 0.00 0.00 54.58 51.51 2oqs n ASN 22 Cb 0.00 -0.21 0.02 0.00 -2.08 0.00 0.00 39.78 37.50 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 -0.42 1.60 -0.01 -3.83 6.02 0.18 -2.76 117.38 118.17 2oqs n GLN 23 Ca 0.04 0.57 -0.07 0.00 -0.01 0.00 0.00 57.00 57.54 2oqs n GLN 23 Cb 0.62 -2.24 -0.13 0.00 1.02 0.00 0.00 30.24 29.50 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 1.69 0.00 -3.47 1.08 -0.00 -1.82 -3.45 115.15 109.17 2oqs h HIS 24 Ca -0.47 0.00 -0.36 0.00 -0.00 0.00 0.00 60.37 59.54 2oqs h HIS 24 Cb 1.32 0.00 -0.34 0.00 -0.00 0.00 0.00 27.41 28.38 2oqs h HIS 24 CO 0.45 0.93 -0.75 0.42 -0.00 0.00 0.00 177.93 178.98 2oqs s ILE 25 N -2.65 0.23 0.08 6.26 -1.09 -1.25 -5.08 121.20 117.69 2oqs s ILE 25 Ca -0.04 0.07 -0.33 0.00 -2.23 0.00 0.00 60.65 58.12 2oqs s ILE 25 Cb 0.08 -0.32 -0.12 0.00 -1.58 0.00 0.00 42.46 40.52 2oqs s ILE 25 CO 0.82 0.16 1.78 -0.81 -1.23 0.00 0.00 174.94 175.67 2oqs n PRO 26 N 4.20 2.47 0.00 2.79 -0.04 -1.26 -1.38 135.00 141.78 2oqs n PRO 26 Ca -0.25 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 2oqs n PRO 26 Cb 0.50 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 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 4.06 1.52 2.84 0.55 0.00 -1.26 -5.01 105.19 107.89 2oqs n GLY 27 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.46 3.32 -0.07 1.61 2.15 -0.48 -4.99 116.67 115.75 2oqs s ASP 28 Ca 0.00 -0.97 0.07 0.00 0.43 0.00 0.00 52.55 52.08 2oqs s ASP 28 Cb 0.00 -0.87 0.32 0.00 -0.30 0.00 0.00 42.92 42.07 2oqs s ASP 28 CO 0.00 -0.27 1.08 0.59 -0.17 0.00 0.00 175.17 176.40 2oqs n ASN 29 N 4.87 2.60 -3.54 -0.34 4.13 -1.26 -3.94 115.26 117.79 2oqs n ASN 29 Ca -0.10 -2.28 -0.29 0.00 1.68 0.00 0.00 54.58 53.58 2oqs n ASN 29 Cb 0.46 -0.48 0.25 0.00 -1.54 0.00 0.00 39.78 38.47 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 0.30 -2.04 -4.45 6.41 7.64 -1.25 -1.85 113.62 118.38 2oqs n SER 30 Ca 0.11 -1.16 -0.43 0.00 1.01 0.00 0.00 58.87 58.40 2oqs n SER 30 Cb 0.54 -0.99 -0.10 0.00 -1.01 0.00 0.00 64.21 62.65 2oqs n SER 30 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2oqs s ILE 31 N -2.96 5.22 0.02 0.44 -1.09 -0.66 -4.05 121.20 118.12 2oqs s ILE 31 Ca 0.70 -0.69 0.03 0.00 -2.23 0.00 0.00 60.65 58.46 2oqs s ILE 31 Cb -0.07 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 36.86 2oqs s ILE 31 CO 0.53 -0.32 -0.05 -0.31 -1.23 0.00 0.00 174.94 173.57 2oqs s TYR 32 N 1.67 2.92 -0.08 3.97 1.51 -0.83 0.95 117.35 127.46 2oqs s TYR 32 Ca 0.05 -0.03 -0.30 0.00 -1.01 0.00 0.00 57.07 55.78 2oqs s TYR 32 Cb -0.19 -1.60 -0.02 0.00 -0.11 0.00 0.00 41.96 40.05 2oqs s TYR 32 CO 0.10 0.40 1.02 0.08 -1.11 0.00 0.00 175.55 176.04 2oqs s VAL 33 N -1.07 4.75 -0.13 0.71 1.01 -1.21 0.01 120.40 124.48 2oqs s VAL 33 Ca 0.19 2.01 0.19 0.00 0.00 0.00 0.00 61.98 64.37 2oqs s VAL 33 Cb -0.11 -4.29 -0.28 0.00 0.00 0.00 0.00 36.38 31.70 2oqs s VAL 33 CO 0.10 0.03 0.27 0.35 0.00 0.00 0.00 175.10 175.85 2oqs n THR 34 N 4.44 0.83 -3.62 3.92 -2.24 -1.10 -3.64 114.28 112.87 2oqs n THR 34 Ca 0.08 -0.71 -0.01 0.00 -2.27 0.00 0.00 64.05 61.15 2oqs n THR 34 Cb 0.49 -0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 68.38 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 -2.92 0.55 -0.23 -0.78 2.36 -1.26 -4.98 119.74 112.48 2oqs s LYS 35 Ca -0.09 1.37 -0.09 0.00 -2.55 0.00 0.00 55.97 54.61 2oqs s LYS 35 Cb 0.09 0.81 -0.04 0.00 -1.05 0.00 0.00 37.83 37.64 2oqs s LYS 35 CO 0.86 -0.19 0.13 0.42 1.55 0.00 0.00 175.35 178.12 2oqs s ILE 36 N 2.81 5.06 0.40 5.43 1.01 -1.26 0.30 121.20 134.96 2oqs s ILE 36 Ca -0.06 0.08 -0.23 0.00 0.00 0.00 0.00 60.65 60.44 2oqs s ILE 36 Cb -0.11 -3.35 -0.11 0.00 0.01 0.00 0.00 42.46 38.90 2oqs s ILE 36 CO -0.19 0.36 0.95 -0.63 0.00 0.00 0.00 174.94 175.43 2oqs s ILE 37 N 1.09 4.31 0.59 2.92 1.09 0.25 -4.95 121.20 126.49 2oqs s ILE 37 Ca 0.06 1.58 -0.20 0.00 -1.10 0.00 0.00 60.65 61.00 2oqs s ILE 37 Cb -0.14 -3.73 -0.03 0.00 -1.06 0.00 0.00 42.46 37.50 2oqs s ILE 37 CO 0.04 -0.17 1.28 -1.61 -0.10 0.00 0.00 174.94 174.38 2oqs s GLU 38 N -2.82 2.93 -1.71 2.79 8.01 -1.26 -2.54 118.70 124.10 2oqs s GLU 38 Ca 0.58 2.02 0.00 0.00 0.01 0.00 0.00 54.97 57.58 2oqs s GLU 38 Cb -0.12 -2.02 0.00 0.00 -4.31 0.00 0.00 34.13 27.67 2oqs s GLU 38 CO 0.17 -1.29 0.00 0.41 0.01 0.00 0.00 175.26 174.56 2oqs n GLY 39 N 0.70 1.54 3.94 -1.39 0.00 -1.26 -4.97 105.19 103.75 2oqs n GLY 39 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 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 1.70 0.16 -0.02 0.00 -1.05 -4.80 107.32 100.75 2oqs s GLY 40 Ca 0.00 -1.02 -0.24 0.00 0.00 0.00 0.00 44.72 43.47 2oqs s GLY 40 CO 0.00 -0.70 1.60 0.00 0.00 0.00 0.00 173.10 174.00 2oqs h ALA 41 N -0.20 -0.22 0.06 3.20 0.00 -0.37 0.41 119.26 122.14 2oqs h ALA 41 Ca -0.44 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 2oqs h ALA 41 Cb 1.29 0.71 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2oqs h ALA 41 CO 0.58 -0.74 -0.03 0.00 0.00 0.00 0.00 179.25 179.05 2oqs h ALA 42 N 0.69 -0.08 -0.69 0.00 0.00 -1.87 -1.26 119.26 116.06 2oqs h ALA 42 Ca 0.16 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.02 2oqs h ALA 42 Cb 0.54 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.27 2oqs h ALA 42 CO -0.52 -0.37 0.21 1.25 0.00 0.00 0.00 179.25 179.82 2oqs h HIS 43 N -0.44 0.34 -0.28 0.00 6.17 -1.71 0.76 115.15 120.00 2oqs h HIS 43 Ca -0.01 0.04 -0.17 0.00 0.71 0.00 0.00 60.37 60.94 2oqs h HIS 43 Cb 0.39 -0.05 -0.00 0.00 2.52 0.00 0.00 27.41 30.27 2oqs h HIS 43 CO 0.04 -0.00 -0.51 0.87 0.71 0.00 0.00 177.93 179.05 2oqs h LYS 44 N 0.34 0.78 0.04 5.26 1.57 -0.19 -3.25 116.57 121.11 2oqs h LYS 44 Ca 0.37 -0.47 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2oqs h LYS 44 Cb 0.57 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2oqs h LYS 44 CO -0.42 1.10 -0.02 0.22 -0.57 0.00 0.00 179.45 179.76 2oqs h ASP 45 N 0.61 -0.05 0.00 0.86 1.82 -0.15 -3.47 116.42 116.05 2oqs h ASP 45 Ca 0.02 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.57 2oqs h ASP 45 Cb 1.09 0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.11 2oqs h ASP 45 CO 0.11 0.06 0.00 0.61 -1.61 0.00 0.00 179.24 178.41 2oqs n GLY 46 N -0.85 2.99 0.28 -0.78 0.00 0.16 -4.86 105.19 102.13 2oqs n GLY 46 Ca -0.08 0.00 -0.08 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 0.82 0.98 -5.75 1.61 1.57 -1.91 -3.41 116.57 110.47 2oqs h LYS 47 Ca 0.00 -0.26 -0.59 0.00 -1.87 0.00 0.00 60.65 57.93 2oqs h LYS 47 Cb 0.00 -0.12 -0.09 0.00 0.08 0.00 0.00 32.23 32.11 2oqs h LYS 47 CO 0.00 0.92 0.19 -1.17 -0.57 0.00 0.00 179.45 178.82 2oqs s LEU 48 N -9.51 4.16 0.03 2.94 0.20 -1.26 -5.05 118.68 110.19 2oqs s LEU 48 Ca -0.12 0.94 0.02 0.00 0.69 0.00 0.00 54.13 55.66 2oqs s LEU 48 Cb 0.13 -2.99 -0.02 0.00 -0.43 0.00 0.00 46.19 42.88 2oqs s LEU 48 CO 0.83 -0.30 -0.06 0.00 -0.29 0.00 0.00 176.35 176.53 2oqs s GLN 49 N 1.92 0.46 0.20 1.98 0.00 -1.26 -4.66 119.66 118.29 2oqs s GLN 49 Ca 0.32 -0.60 -0.29 0.00 -0.00 0.00 0.00 55.36 54.78 2oqs s GLN 49 Cb -0.16 -0.26 -0.17 0.00 0.00 0.00 0.00 33.01 32.43 2oqs s GLN 49 CO 0.11 0.05 0.69 0.44 0.00 0.00 0.00 175.29 176.58 2oqs n ILE 50 N 1.83 1.76 0.00 3.63 -5.35 -1.26 -2.36 119.36 117.61 2oqs n ILE 50 Ca -0.21 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 61.83 2oqs n ILE 50 Cb 0.56 -0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.24 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 1.82 3.12 3.78 3.28 0.00 -1.24 -5.04 105.19 110.92 2oqs n GLY 51 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.88 5.68 0.08 1.61 1.47 -0.99 -4.92 116.67 118.72 2oqs s ASP 52 Ca 0.00 2.00 0.06 0.00 1.18 0.00 0.00 52.55 55.79 2oqs s ASP 52 Cb 0.00 -2.56 -0.04 0.00 -0.34 0.00 0.00 42.92 39.98 2oqs s ASP 52 CO 0.00 -1.24 -0.10 -1.59 0.68 0.00 0.00 175.17 172.92 2oqs s LYS 53 N -3.68 2.21 -0.54 2.11 -2.85 -1.26 -3.30 119.74 112.43 2oqs s LYS 53 Ca 0.68 -0.96 -0.18 0.00 -1.00 0.00 0.00 55.97 54.51 2oqs s LYS 53 Cb -0.20 -2.33 0.09 0.00 -2.06 0.00 0.00 37.83 33.33 2oqs s LYS 53 CO 0.32 0.53 0.61 -1.17 0.10 0.00 0.00 175.35 175.74 2oqs s LEU 54 N -1.98 5.34 0.01 2.77 0.20 0.27 -2.68 118.68 122.63 2oqs s LEU 54 Ca 0.20 -1.26 -0.25 0.00 0.69 0.00 0.00 54.13 53.50 2oqs s LEU 54 Cb -0.11 -2.33 -0.18 0.00 -0.43 0.00 0.00 46.19 43.14 2oqs s LEU 54 CO 0.12 -0.95 1.35 0.25 -0.29 0.00 0.00 176.35 176.83 2oqs h LEU 55 N 9.61 -0.17 -7.19 -0.68 6.46 0.55 -3.27 115.31 120.62 2oqs h LEU 55 Ca -0.29 -0.25 -0.04 0.00 -0.12 0.00 0.00 57.88 57.19 2oqs h LEU 55 Cb 1.09 0.04 -0.13 0.00 -0.73 0.00 0.00 40.66 40.94 2oqs h LEU 55 CO 1.02 0.17 0.07 0.00 -0.62 0.00 0.00 178.44 179.08 2oqs s ALA 56 N -4.90 -1.28 -0.18 1.25 0.00 0.55 -0.57 121.76 116.63 2oqs s ALA 56 Ca -0.15 0.27 -0.05 0.00 0.00 0.00 0.00 51.96 52.03 2oqs s ALA 56 Cb 0.03 0.75 0.09 0.00 0.00 0.00 0.00 23.12 23.98 2oqs s ALA 56 CO 0.61 -0.68 0.34 0.54 0.00 0.00 0.00 175.76 176.57 2oqs s VAL 57 N -3.63 -0.53 -0.86 0.00 0.11 0.32 0.13 120.40 115.95 2oqs s VAL 57 Ca 0.01 0.14 -0.05 0.00 -2.93 0.00 0.00 61.98 59.15 2oqs s VAL 57 Cb 0.00 -0.62 0.01 0.00 -1.53 0.00 0.00 36.38 34.24 2oqs s VAL 57 CO -0.11 0.02 0.64 0.59 -3.33 0.00 0.00 175.10 172.91 2oqs n ASN 58 N 5.37 -4.61 0.00 3.54 4.13 -0.93 -2.65 115.26 120.11 2oqs n ASN 58 Ca -0.06 -0.29 0.00 0.00 1.68 0.00 0.00 54.58 55.90 2oqs n ASN 58 Cb 0.50 -3.26 0.00 0.00 -1.54 0.00 0.00 39.78 35.48 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 -1.16 0.00 -4.86 6.41 5.15 -1.26 -5.02 115.26 114.52 2oqs n ASN 59 Ca -0.01 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.61 2oqs n ASN 59 Cb 0.55 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.74 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 -2.33 5.13 -0.03 3.44 -7.23 -1.09 -5.07 120.40 113.23 2oqs s VAL 60 Ca 0.00 0.48 -0.27 0.00 -1.81 0.00 0.00 61.98 60.38 2oqs s VAL 60 Cb 0.00 -3.64 -0.03 0.00 0.56 0.00 0.00 36.38 33.27 2oqs s VAL 60 CO 0.00 0.37 0.87 0.00 -0.31 0.00 0.00 175.10 176.03 2oqs n LEU 62 N 3.87 5.74 -0.00 0.00 7.94 0.27 -4.39 117.00 130.42 2oqs n LEU 62 Ca 0.03 -3.48 0.05 0.00 -1.11 0.00 0.00 56.01 51.50 2oqs n LEU 62 Cb 0.51 -0.74 -0.08 0.00 0.53 0.00 0.00 43.42 43.64 2oqs n LEU 62 CO 0.50 0.99 -0.51 -0.62 -1.11 0.00 0.00 177.39 176.65 2oqs n GLU 63 N -0.78 0.97 -2.38 1.96 1.02 -1.23 -1.66 120.64 118.54 2oqs n GLU 63 Ca 0.45 -0.08 -0.19 0.00 -0.02 0.00 0.00 57.16 57.32 2oqs n GLU 63 Cb 1.38 -1.20 0.02 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 -1.74 2.91 -4.21 3.49 0.28 -1.26 -3.75 120.64 116.36 2oqs n GLU 64 Ca -0.01 -4.03 -0.12 0.00 -0.16 0.00 0.00 57.16 52.83 2oqs n GLU 64 Cb 0.25 -2.02 -0.10 0.00 1.43 0.00 0.00 31.44 31.01 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 -4.55 0.89 0.23 3.84 -7.23 -1.26 -5.12 120.40 107.20 2oqs s VAL 65 Ca 0.43 -1.99 -0.04 0.00 -1.81 0.00 0.00 61.98 58.57 2oqs s VAL 65 Cb 0.40 -1.77 0.06 0.00 0.56 0.00 0.00 36.38 35.62 2oqs s VAL 65 CO -0.04 -0.80 0.21 0.35 -0.31 0.00 0.00 175.10 174.51 2oqs n THR 66 N -0.12 0.00 -0.02 5.32 -2.24 -1.26 -2.95 114.28 113.01 2oqs n THR 66 Ca -0.11 -0.10 -0.17 0.00 -2.27 0.00 0.00 64.05 61.40 2oqs n THR 66 Cb 0.61 -1.12 -0.07 0.00 -2.10 0.00 0.00 70.33 67.65 2oqs n THR 66 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2oqs h HIS 67 N -1.68 1.07 -0.67 4.78 2.76 -0.44 -2.85 115.15 118.12 2oqs h HIS 67 Ca -0.08 -0.47 0.13 0.00 -2.20 0.00 0.00 60.37 57.75 2oqs h HIS 67 Cb 0.23 -0.16 -0.09 0.00 1.55 0.00 0.00 27.41 28.94 2oqs h HIS 67 CO 0.00 1.30 0.19 0.93 -1.30 0.00 0.00 177.93 179.05 2oqs h GLU 68 N 0.54 0.31 -0.49 5.26 3.07 -1.93 0.80 114.58 122.14 2oqs h GLU 68 Ca -0.05 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.71 2oqs h GLU 68 Cb 1.41 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 29.23 2oqs h GLU 68 CO 0.16 0.20 -0.01 0.93 -1.40 0.00 0.00 179.01 178.89 2oqs h GLU 69 N 0.32 0.83 -0.78 2.33 4.39 -1.91 0.37 114.58 120.12 2oqs h GLU 69 Ca 0.36 -0.23 0.01 0.00 0.34 0.00 0.00 59.36 59.84 2oqs h GLU 69 Cb 0.55 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.07 2oqs h GLU 69 CO -0.42 0.84 0.52 0.00 -1.16 0.00 0.00 179.01 178.78 2oqs h ALA 70 N 1.22 1.00 0.18 3.43 0.00 -0.66 0.29 119.26 124.72 2oqs h ALA 70 Ca 0.15 -0.05 -0.31 0.00 0.00 0.00 0.00 54.91 54.70 2oqs h ALA 70 Cb 0.48 -0.30 0.02 0.00 0.00 0.00 0.00 17.79 17.98 2oqs h ALA 70 CO 0.02 0.38 -1.39 0.28 0.00 0.00 0.00 179.25 178.54 2oqs h VAL 71 N 1.04 1.35 -0.72 0.00 2.07 -0.90 -2.85 116.25 116.25 2oqs h VAL 71 Ca 0.29 -2.88 -0.04 0.00 0.82 0.00 0.00 66.70 64.90 2oqs h VAL 71 Cb -0.09 2.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.61 2oqs h VAL 71 CO -0.08 0.85 0.30 0.74 0.02 0.00 0.00 177.57 179.40 2oqs h THR 72 N 0.10 1.24 0.02 2.57 2.02 -0.03 0.99 112.91 119.81 2oqs h THR 72 Ca -0.20 -0.74 -0.24 0.00 0.77 0.00 0.00 66.41 65.99 2oqs h THR 72 Cb 2.06 0.37 0.01 0.00 -1.74 0.00 0.00 68.15 68.85 2oqs h THR 72 CO 0.23 0.30 -1.00 0.00 0.37 0.00 0.00 175.52 175.42 2oqs h ALA 73 N 1.29 0.29 -0.06 6.16 0.00 -1.04 -0.62 119.26 125.28 2oqs h ALA 73 Ca 0.24 -0.72 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 2oqs h ALA 73 Cb 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2oqs h ALA 73 CO -0.02 0.80 -0.47 -0.07 0.00 0.00 0.00 179.25 179.49 2oqs h LEU 74 N 0.24 0.15 0.00 0.00 -0.00 -1.27 -2.81 115.31 111.62 2oqs h LEU 74 Ca -0.10 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.71 2oqs h LEU 74 Cb 1.65 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 42.26 2oqs h LEU 74 CO 0.18 0.60 -0.52 0.07 -0.00 0.00 0.00 178.44 178.76 2oqs h LYS 75 N 0.12 0.00 -3.27 1.13 2.10 -0.77 -3.39 116.57 112.49 2oqs h LYS 75 Ca 0.01 0.00 -0.65 0.00 -2.00 0.00 0.00 60.65 58.00 2oqs h LYS 75 Cb 0.87 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.22 2oqs h LYS 75 CO 0.07 0.00 3.59 -1.71 -2.00 0.00 0.00 179.45 179.40 2oqs n ASN 76 N -2.49 7.36 -4.07 7.07 5.15 -0.24 -4.85 115.26 123.18 2oqs n ASN 76 Ca 0.03 -2.61 -0.32 0.00 -0.60 0.00 0.00 54.58 51.08 2oqs n ASN 76 Cb 0.49 -1.53 -0.16 0.00 -0.53 0.00 0.00 39.78 38.05 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 2.54 1.90 0.00 -0.44 -4.23 -1.26 -4.99 115.64 109.16 2oqs s THR 77 Ca 0.63 -0.96 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 2oqs s THR 77 Cb 0.16 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 72.20 2oqs s THR 77 CO -0.06 0.41 0.00 -1.20 -0.54 0.00 0.00 174.62 173.23 2oqs n SER 78 N 4.64 0.00 -0.12 3.99 7.64 -1.26 -4.92 113.62 123.59 2oqs n SER 78 Ca -0.18 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.47 2oqs n SER 78 Cb 0.49 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.57 2oqs n SER 78 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2oqs n ASP 79 N -0.42 1.98 -4.36 6.43 5.75 -1.26 -4.75 116.55 119.92 2oqs n ASP 79 Ca 0.00 0.10 -0.20 0.00 -0.01 0.00 0.00 54.79 54.68 2oqs n ASP 79 Cb 0.00 -0.63 -0.10 0.00 -1.03 0.00 0.00 41.12 39.35 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 -2.51 1.79 -0.07 2.11 0.40 -1.26 -0.99 117.98 117.45 2oqs s PHE 80 Ca -0.35 -1.08 -0.03 0.00 -0.60 0.00 0.00 56.93 54.88 2oqs s PHE 80 Cb 0.11 -1.13 0.04 0.00 0.51 0.00 0.00 43.02 42.55 2oqs s PHE 80 CO 0.58 -0.15 0.13 0.54 0.70 0.00 0.00 175.22 177.01 2oqs s VAL 81 N -3.46 -0.21 -0.60 -0.44 0.11 -0.11 -4.80 120.40 110.89 2oqs s VAL 81 Ca 0.36 0.38 -0.17 0.00 -2.93 0.00 0.00 61.98 59.62 2oqs s VAL 81 Cb 0.08 -0.24 0.12 0.00 -1.53 0.00 0.00 36.38 34.81 2oqs s VAL 81 CO 0.15 0.16 0.64 -0.47 -3.33 0.00 0.00 175.10 172.24 2oqs s TYR 82 N 2.25 3.16 -0.11 1.54 6.14 -1.26 -2.42 117.35 126.64 2oqs s TYR 82 Ca 0.04 -1.18 -0.21 0.00 0.64 0.00 0.00 57.07 56.35 2oqs s TYR 82 Cb -0.12 -3.92 -0.03 0.00 0.42 0.00 0.00 41.96 38.30 2oqs s TYR 82 CO -0.05 -1.17 0.63 -1.17 0.64 0.00 0.00 175.55 174.44 2oqs s LEU 83 N 2.06 4.26 -0.28 6.97 2.96 -1.10 -2.18 118.68 131.37 2oqs s LEU 83 Ca 0.09 1.01 -0.03 0.00 -0.22 0.00 0.00 54.13 54.97 2oqs s LEU 83 Cb -0.25 -2.94 0.03 0.00 0.50 0.00 0.00 46.19 43.52 2oqs s LEU 83 CO 0.03 -0.13 0.00 -0.54 -1.32 0.00 0.00 176.35 174.39 2oqs s LYS 84 N 1.05 2.82 -0.13 1.98 -0.14 0.34 -2.11 119.74 123.55 2oqs s LYS 84 Ca 0.32 -1.01 -0.03 0.00 -1.36 0.00 0.00 55.97 53.90 2oqs s LYS 84 Cb -0.17 -3.16 -0.03 0.00 -1.68 0.00 0.00 37.83 32.79 2oqs s LYS 84 CO 0.14 -0.47 -0.03 0.08 -0.76 0.00 0.00 175.35 174.31 2oqs s VAL 85 N 1.37 4.00 0.19 3.17 1.01 -0.01 0.11 120.40 130.24 2oqs s VAL 85 Ca -0.00 -0.33 -0.12 0.00 0.00 0.00 0.00 61.98 61.53 2oqs s VAL 85 Cb -0.18 -2.72 -0.07 0.00 0.00 0.00 0.00 36.38 33.41 2oqs s VAL 85 CO -0.01 0.53 0.54 0.00 0.00 0.00 0.00 175.10 176.16 2oqs s ALA 86 N -0.08 3.58 -0.34 5.51 0.00 -1.09 -0.93 121.76 128.42 2oqs s ALA 86 Ca 0.02 -0.22 -0.18 0.00 0.00 0.00 0.00 51.96 51.59 2oqs s ALA 86 Cb -0.13 -2.46 -0.01 0.00 0.00 0.00 0.00 23.12 20.52 2oqs s ALA 86 CO 0.02 0.49 0.50 -1.59 0.00 0.00 0.00 175.76 175.18 2oqs s LYS 87 N -2.40 3.67 -0.16 0.00 -2.85 -1.26 -4.43 119.74 112.31 2oqs s LYS 87 Ca 0.42 -0.13 -0.29 0.00 -1.00 0.00 0.00 55.97 54.97 2oqs s LYS 87 Cb -0.13 -3.79 -0.03 0.00 -2.06 0.00 0.00 37.83 31.82 2oqs s LYS 87 CO 0.20 -0.59 1.54 -1.25 0.10 0.00 0.00 175.35 175.35 2oqs s PRO 88 N 2.35 4.02 0.13 1.78 0.04 -1.26 -4.81 135.00 137.25 2oqs s PRO 88 Ca 0.18 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2oqs s PRO 88 Cb -0.16 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.43 2oqs s PRO 88 CO 0.13 -1.02 0.00 2.41 0.04 0.00 0.00 177.00 178.56 2oqs n THR 89 N 5.87 0.28 -0.47 1.26 -1.04 -1.26 -5.17 114.28 113.75 2oqs n THR 89 Ca 0.17 0.09 0.06 0.00 -2.04 0.00 0.00 64.05 62.33 2oqs n THR 89 Cb 0.44 -0.70 -0.03 0.00 -1.82 0.00 0.00 70.33 68.22 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 2.26 -2.72 0.14 3.41 0.00 -1.26 -4.90 105.19 102.12 2oqs n GLY 90 Ca 0.00 -1.33 -0.24 0.00 0.00 0.00 0.00 46.02 44.45 2oqs n GLY 90 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2oqs n SER 91 N -2.84 1.97 0.00 1.61 2.88 -1.26 -5.31 113.62 110.66 2oqs n SER 91 Ca -0.03 0.12 0.12 0.00 -1.33 0.00 0.00 58.87 57.76 2oqs n SER 91 Cb 0.22 -0.64 0.73 0.00 -0.75 0.00 0.00 64.21 63.78 2oqs n SER 91 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38