#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 1.23 -0.01 2.12 1.03 -1.26 -2.28 118.70 119.54 2oqs s GLU 2 Ca 0.00 -1.51 0.00 0.00 0.03 0.00 0.00 54.97 53.49 2oqs s GLU 2 Cb 0.00 -0.99 0.01 0.00 -0.80 0.00 0.00 34.13 32.35 2oqs s GLU 2 CO 0.00 0.16 -0.00 0.42 -1.33 0.00 0.00 175.26 174.51 2oqs s ILE 3 N -2.94 0.05 -0.69 1.83 1.09 -0.97 -5.01 121.20 114.56 2oqs s ILE 3 Ca 0.19 0.02 -0.08 0.00 -1.10 0.00 0.00 60.65 59.68 2oqs s ILE 3 Cb -0.01 -0.08 0.18 0.00 -1.06 0.00 0.00 42.46 41.50 2oqs s ILE 3 CO 0.05 0.04 0.56 -0.54 -0.10 0.00 0.00 174.94 174.95 2oqs s LYS 4 N 0.24 2.98 -0.04 2.79 1.02 -1.26 -2.74 119.74 122.73 2oqs s LYS 4 Ca -0.02 -2.41 -0.21 0.00 0.02 0.00 0.00 55.97 53.35 2oqs s LYS 4 Cb -0.03 -4.04 -0.05 0.00 -0.52 0.00 0.00 37.83 33.19 2oqs s LYS 4 CO -0.01 -1.23 0.60 -0.51 -0.92 0.00 0.00 175.35 173.29 2oqs s LEU 5 N 0.20 4.37 -0.29 3.17 1.43 -1.04 -4.96 118.68 121.56 2oqs s LEU 5 Ca 0.16 1.11 -0.22 0.00 -1.03 0.00 0.00 54.13 54.15 2oqs s LEU 5 Cb -0.17 -2.92 -0.01 0.00 0.03 0.00 0.00 46.19 43.12 2oqs s LEU 5 CO -0.05 0.03 0.71 -0.63 0.23 0.00 0.00 176.35 176.63 2oqs s ILE 6 N 0.20 4.89 -0.25 -0.59 1.09 -1.26 -2.07 121.20 123.21 2oqs s ILE 6 Ca 0.32 1.11 -0.28 0.00 -1.10 0.00 0.00 60.65 60.69 2oqs s ILE 6 Cb -0.18 -4.05 -0.04 0.00 -1.06 0.00 0.00 42.46 37.14 2oqs s ILE 6 CO 0.16 -0.14 2.03 -0.75 -0.10 0.00 0.00 174.94 176.15 2oqs s LYS 7 N 2.73 3.27 0.54 2.79 2.47 -0.94 -4.98 119.74 125.63 2oqs s LYS 7 Ca 0.29 1.82 0.07 0.00 -1.56 0.00 0.00 55.97 56.58 2oqs s LYS 7 Cb -0.15 -4.29 0.06 0.00 -1.46 0.00 0.00 37.83 32.00 2oqs s LYS 7 CO 0.11 -1.94 0.75 0.20 0.16 0.00 0.00 175.35 174.63 2oqs s GLY 8 N 7.16 1.81 -1.35 5.54 0.00 -1.26 -4.95 107.32 114.27 2oqs s GLY 8 Ca 0.91 -1.86 -0.08 0.00 0.00 0.00 0.00 44.72 43.69 2oqs s GLY 8 CO 0.35 -1.49 2.63 -1.05 0.00 0.00 0.00 173.10 173.54 2oqs n PRO 9 N -2.20 3.08 0.07 2.90 -0.02 -1.26 -3.83 135.00 133.73 2oqs n PRO 9 Ca 0.12 -1.92 0.00 0.00 -2.02 0.00 0.00 63.50 59.69 2oqs n PRO 9 Cb 0.60 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 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 3.84 0.00 0.00 -0.52 5.02 -1.26 -5.18 118.16 120.06 2oqs n LYS 10 Ca 0.66 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 2oqs n LYS 10 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.20 2oqs n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2oqs n GLY 11 N -1.49 -0.04 0.10 0.72 0.00 -1.25 -4.96 105.19 98.26 2oqs n GLY 11 Ca 0.00 -0.94 -0.20 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 -0.49 0.99 4.07 -1.95 -3.41 115.31 114.53 2oqs h LEU 12 Ca 0.00 -0.64 0.00 0.00 0.08 0.00 0.00 57.88 57.32 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 1.36 0.00 0.61 -1.08 0.00 0.00 178.44 179.33 2oqs n GLY 13 N 1.48 0.87 1.57 0.83 0.00 -1.26 0.15 105.19 108.83 2oqs n GLY 13 Ca -0.26 -0.60 -0.03 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.52 -1.30 -4.50 1.61 1.16 -1.26 0.40 117.46 111.05 2oqs n PHE 14 Ca 0.00 -0.67 -0.24 0.00 -1.87 0.00 0.00 57.45 54.67 2oqs n PHE 14 Cb 0.40 0.33 -0.10 0.00 -1.61 0.00 0.00 39.48 38.50 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 -1.92 2.72 0.25 5.98 1.04 0.16 -4.89 113.70 117.05 2oqs s SER 15 Ca 0.08 -1.43 -0.16 0.00 0.48 0.00 0.00 55.95 54.92 2oqs s SER 15 Cb -0.02 -0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.10 2oqs s SER 15 CO 0.04 -0.65 0.55 0.27 0.98 0.00 0.00 173.24 174.44 2oqs s ILE 16 N -3.19 0.00 0.19 -1.02 -0.00 -1.26 -2.73 121.20 113.19 2oqs s ILE 16 Ca 0.33 -1.22 0.01 0.00 -0.00 0.00 0.00 60.65 59.76 2oqs s ILE 16 Cb 0.08 -2.08 -0.05 0.00 -0.00 0.00 0.00 42.46 40.42 2oqs s ILE 16 CO 0.15 -0.02 0.05 0.00 -0.00 0.00 0.00 174.94 175.12 2oqs s ALA 17 N -3.97 1.32 0.00 2.27 0.00 0.18 -4.73 121.76 116.83 2oqs s ALA 17 Ca 0.18 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.49 2oqs s ALA 17 Cb -0.02 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.93 2oqs s ALA 17 CO 0.07 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.82 2oqs n GLY 18 N -0.27 2.26 0.00 0.00 0.00 -1.26 -1.63 105.19 104.30 2oqs n GLY 18 Ca -0.04 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 2.68 3.75 -0.02 0.00 -0.79 0.03 105.19 110.84 2oqs n GLY 19 Ca 0.00 -1.85 -0.36 0.00 0.00 0.00 0.00 46.02 43.81 2oqs n GLY 19 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2oqs s VAL 20 N -2.54 2.50 0.00 1.61 -7.23 -1.26 -0.83 120.40 112.65 2oqs s VAL 20 Ca 0.00 0.31 0.00 0.00 -1.81 0.00 0.00 61.98 60.48 2oqs s VAL 20 Cb 0.00 -3.12 0.00 0.00 0.56 0.00 0.00 36.38 33.82 2oqs s VAL 20 CO 0.00 -0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.33 2oqs n GLY 21 N 0.59 3.06 0.38 2.32 0.00 -1.26 -4.58 105.19 105.70 2oqs n GLY 21 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.18 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 0.38 -4.53 1.61 6.94 -1.07 -5.11 115.26 113.48 2oqs n ASN 22 Ca 0.00 -2.06 -0.47 0.00 -0.02 0.00 0.00 54.58 52.03 2oqs n ASN 22 Cb 0.00 -0.21 -0.03 0.00 -2.36 0.00 0.00 39.78 37.18 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 -0.22 0.89 0.06 -3.83 6.02 -0.01 -4.20 117.38 116.09 2oqs n GLN 23 Ca 0.02 0.31 0.03 0.00 -0.01 0.00 0.00 57.00 57.36 2oqs n GLN 23 Cb 0.66 -1.60 -0.05 0.00 1.02 0.00 0.00 30.24 30.27 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 1.99 0.00 -2.92 1.08 -0.00 -1.85 -3.47 115.15 109.99 2oqs h HIS 24 Ca -0.37 0.00 -0.19 0.00 -0.00 0.00 0.00 60.37 59.81 2oqs h HIS 24 Cb 1.37 0.00 -0.30 0.00 -0.00 0.00 0.00 27.41 28.48 2oqs h HIS 24 CO 0.47 0.41 -0.47 0.42 -0.00 0.00 0.00 177.93 178.76 2oqs s ILE 25 N -3.05 -0.15 -0.06 6.26 1.01 -1.25 -5.09 121.20 118.86 2oqs s ILE 25 Ca -0.02 0.17 -0.36 0.00 0.00 0.00 0.00 60.65 60.45 2oqs s ILE 25 Cb 0.09 -0.43 -0.14 0.00 0.01 0.00 0.00 42.46 41.99 2oqs s ILE 25 CO 0.80 0.07 1.72 -2.65 0.00 0.00 0.00 174.94 174.88 2oqs n PRO 26 N 4.54 1.79 -0.17 2.79 -0.02 -1.26 -0.73 135.00 141.94 2oqs n PRO 26 Ca -0.20 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2oqs n PRO 26 Cb 0.52 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 1.20 2.85 -1.23 0.00 -1.26 -5.02 105.19 105.65 2oqs n GLY 27 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.98 3.05 0.00 1.61 1.01 0.09 -4.99 116.67 114.45 2oqs s ASP 28 Ca 0.00 -0.81 0.18 0.00 0.71 0.00 0.00 52.55 52.63 2oqs s ASP 28 Cb 0.00 -0.87 0.51 0.00 1.01 0.00 0.00 42.92 43.57 2oqs s ASP 28 CO 0.00 -0.23 1.42 0.59 0.21 0.00 0.00 175.17 177.16 2oqs n ASN 29 N 4.89 3.03 -3.48 0.27 4.13 -1.26 -3.90 115.26 118.94 2oqs n ASN 29 Ca -0.11 -1.99 -0.30 0.00 1.68 0.00 0.00 54.58 53.86 2oqs n ASN 29 Cb 0.47 -0.37 0.26 0.00 -1.54 0.00 0.00 39.78 38.60 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 1.16 -2.60 -4.54 6.41 7.64 -1.26 -1.88 113.62 118.55 2oqs n SER 30 Ca 0.19 -1.10 -0.40 0.00 1.01 0.00 0.00 58.87 58.56 2oqs n SER 30 Cb 0.48 -1.01 -0.10 0.00 -1.01 0.00 0.00 64.21 62.58 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 -2.78 5.23 -0.01 0.44 1.09 -0.67 -4.05 121.20 120.44 2oqs s ILE 31 Ca 0.70 -0.04 0.05 0.00 -1.10 0.00 0.00 60.65 60.26 2oqs s ILE 31 Cb -0.08 -3.76 -0.03 0.00 -1.06 0.00 0.00 42.46 37.53 2oqs s ILE 31 CO 0.55 -0.03 -0.15 -0.31 -0.10 0.00 0.00 174.94 174.90 2oqs s TYR 32 N 1.88 2.66 0.09 3.97 1.51 -0.65 0.72 117.35 127.54 2oqs s TYR 32 Ca 0.09 -0.19 -0.31 0.00 -1.01 0.00 0.00 57.07 55.66 2oqs s TYR 32 Cb -0.17 -1.56 -0.06 0.00 -0.11 0.00 0.00 41.96 40.06 2oqs s TYR 32 CO 0.11 0.23 1.21 0.08 -1.11 0.00 0.00 175.55 176.07 2oqs s VAL 33 N -0.83 3.90 -0.19 0.71 1.01 -1.21 0.50 120.40 124.30 2oqs s VAL 33 Ca 0.13 1.41 0.14 0.00 0.00 0.00 0.00 61.98 63.67 2oqs s VAL 33 Cb -0.11 -3.90 -0.22 0.00 0.00 0.00 0.00 36.38 32.16 2oqs s VAL 33 CO 0.03 0.13 0.03 0.35 0.00 0.00 0.00 175.10 175.64 2oqs n THR 34 N 3.65 1.27 -3.65 3.92 -2.24 -1.11 -2.98 114.28 113.15 2oqs n THR 34 Ca 0.08 -0.75 -0.03 0.00 -2.27 0.00 0.00 64.05 61.09 2oqs n THR 34 Cb 0.46 -0.62 -0.05 0.00 -2.10 0.00 0.00 70.33 68.02 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 -2.45 0.58 -0.27 -0.78 1.02 -1.26 -4.97 119.74 111.61 2oqs s LYS 35 Ca -0.12 1.38 -0.11 0.00 0.02 0.00 0.00 55.97 57.14 2oqs s LYS 35 Cb 0.06 0.71 -0.05 0.00 -0.52 0.00 0.00 37.83 38.03 2oqs s LYS 35 CO 0.72 -0.19 0.21 0.42 -0.92 0.00 0.00 175.35 175.59 2oqs s ILE 36 N 2.65 5.30 0.38 2.17 1.01 -1.26 0.38 121.20 131.83 2oqs s ILE 36 Ca -0.06 0.23 -0.25 0.00 0.00 0.00 0.00 60.65 60.57 2oqs s ILE 36 Cb -0.11 -3.55 -0.09 0.00 0.01 0.00 0.00 42.46 38.72 2oqs s ILE 36 CO -0.19 0.26 1.04 -0.63 0.00 0.00 0.00 174.94 175.42 2oqs s ILE 37 N 1.64 3.76 0.59 2.92 1.09 0.16 -4.95 121.20 126.41 2oqs s ILE 37 Ca 0.08 1.40 -0.20 0.00 -1.10 0.00 0.00 60.65 60.83 2oqs s ILE 37 Cb -0.15 -3.75 -0.04 0.00 -1.06 0.00 0.00 42.46 37.46 2oqs s ILE 37 CO 0.09 0.06 1.28 -0.62 -0.10 0.00 0.00 174.94 175.65 2oqs n GLU 38 N 0.13 1.38 -1.57 2.79 1.02 -1.26 -2.28 120.64 120.84 2oqs n GLU 38 Ca 0.04 0.52 -0.19 0.00 -0.02 0.00 0.00 57.16 57.51 2oqs n GLU 38 Cb 0.49 -2.50 -0.08 0.00 -0.02 0.00 0.00 31.44 29.34 2oqs n GLU 38 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2oqs n GLY 39 N 0.89 1.71 3.95 0.62 0.00 -1.26 -4.97 105.19 106.14 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 -2.57 1.75 0.18 -0.02 0.00 -0.97 -4.77 107.32 100.93 2oqs s GLY 40 Ca 0.00 -1.16 -0.18 0.00 0.00 0.00 0.00 44.72 43.38 2oqs s GLY 40 CO 0.00 -0.78 1.63 0.00 0.00 0.00 0.00 173.10 173.94 2oqs h ALA 41 N -0.35 0.15 0.08 3.20 0.00 -0.52 0.42 119.26 122.25 2oqs h ALA 41 Ca -0.43 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2oqs h ALA 41 Cb 1.30 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.61 2oqs h ALA 41 CO 0.55 -0.55 -0.04 0.00 0.00 0.00 0.00 179.25 179.21 2oqs h ALA 42 N 1.24 -0.11 -0.63 0.00 0.00 -1.87 -1.99 119.26 115.89 2oqs h ALA 42 Ca 0.23 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 55.01 2oqs h ALA 42 Cb 0.45 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 2oqs h ALA 42 CO -0.55 -0.28 0.12 1.25 0.00 0.00 0.00 179.25 179.79 2oqs h HIS 43 N -0.67 0.19 -0.34 0.00 6.17 -1.73 0.67 115.15 119.45 2oqs h HIS 43 Ca -0.01 0.04 -0.14 0.00 0.71 0.00 0.00 60.37 60.97 2oqs h HIS 43 Cb 0.54 0.01 -0.01 0.00 2.52 0.00 0.00 27.41 30.47 2oqs h HIS 43 CO 0.10 -0.06 -0.36 0.87 0.71 0.00 0.00 177.93 179.20 2oqs h LYS 44 N 0.25 0.77 0.33 5.26 1.79 -0.23 -3.25 116.57 121.49 2oqs h LYS 44 Ca 0.34 -0.38 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 2oqs h LYS 44 Cb 0.52 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 2oqs h LYS 44 CO -0.44 1.00 -0.16 0.22 -1.08 0.00 0.00 179.45 179.00 2oqs h ASP 45 N 0.64 -0.38 0.00 0.86 1.82 -0.45 -3.47 116.42 115.44 2oqs h ASP 45 Ca 0.06 -0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2oqs h ASP 45 Cb 0.90 0.10 0.00 0.00 0.68 0.00 0.00 39.33 41.01 2oqs h ASP 45 CO 0.08 -0.16 0.00 0.61 -1.61 0.00 0.00 179.24 178.16 2oqs n GLY 46 N -0.92 3.13 0.28 -0.78 0.00 0.12 -4.88 105.19 102.14 2oqs n GLY 46 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 1.14 0.92 -5.69 1.61 1.79 -1.92 -3.42 116.57 111.01 2oqs h LYS 47 Ca 0.00 -0.38 -0.59 0.00 -2.18 0.00 0.00 60.65 57.51 2oqs h LYS 47 Cb 0.00 -0.04 -0.09 0.00 -1.58 0.00 0.00 32.23 30.52 2oqs h LYS 47 CO 0.00 1.03 0.01 -1.17 -1.08 0.00 0.00 179.45 178.24 2oqs s LEU 48 N -9.04 4.20 0.01 2.94 0.20 -1.26 -5.06 118.68 110.66 2oqs s LEU 48 Ca -0.11 0.82 0.04 0.00 0.69 0.00 0.00 54.13 55.58 2oqs s LEU 48 Cb 0.13 -2.81 -0.01 0.00 -0.43 0.00 0.00 46.19 43.06 2oqs s LEU 48 CO 0.86 -0.16 -0.13 0.00 -0.29 0.00 0.00 176.35 176.62 2oqs s GLN 49 N 1.40 0.97 -0.23 1.98 0.00 -1.26 -4.62 119.66 117.91 2oqs s GLN 49 Ca 0.28 -0.59 -0.40 0.00 -0.00 0.00 0.00 55.36 54.65 2oqs s GLN 49 Cb -0.16 -0.96 -0.16 0.00 0.00 0.00 0.00 33.01 31.74 2oqs s GLN 49 CO 0.11 0.25 1.67 -0.89 0.00 0.00 0.00 175.29 176.43 2oqs n ILE 50 N 2.38 0.25 0.00 3.63 5.41 -1.26 -2.02 119.36 127.75 2oqs n ILE 50 Ca -0.16 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.55 2oqs n ILE 50 Cb 0.55 -1.12 0.00 0.00 -0.71 0.00 0.00 39.64 38.36 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 3.92 2.01 3.72 7.39 0.00 -1.16 -5.02 105.19 116.05 2oqs n GLY 51 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.84 3.75 0.08 1.61 1.47 -0.85 -4.82 116.67 116.07 2oqs s ASP 52 Ca 0.00 1.93 0.05 0.00 1.18 0.00 0.00 52.55 55.71 2oqs s ASP 52 Cb 0.00 -2.51 -0.04 0.00 -0.34 0.00 0.00 42.92 40.03 2oqs s ASP 52 CO 0.00 -2.53 -0.05 -1.59 0.68 0.00 0.00 175.17 171.68 2oqs s LYS 53 N -4.80 2.39 -0.48 2.11 0.00 -1.26 -3.30 119.74 114.40 2oqs s LYS 53 Ca 0.64 -0.89 -0.13 0.00 0.00 0.00 0.00 55.97 55.59 2oqs s LYS 53 Cb -0.19 -2.44 0.10 0.00 0.00 0.00 0.00 37.83 35.29 2oqs s LYS 53 CO 0.57 0.54 0.38 -0.51 0.00 0.00 0.00 175.35 176.33 2oqs s LEU 54 N -2.12 5.67 -0.03 2.77 1.43 0.22 -3.66 118.68 122.96 2oqs s LEU 54 Ca 0.23 -1.59 -0.24 0.00 -1.03 0.00 0.00 54.13 51.50 2oqs s LEU 54 Cb -0.11 -2.11 -0.18 0.00 0.03 0.00 0.00 46.19 43.81 2oqs s LEU 54 CO 0.15 -0.68 1.10 0.25 0.23 0.00 0.00 176.35 177.40 2oqs h LEU 55 N 8.65 -0.13 -7.27 1.79 6.46 0.05 -3.32 115.31 121.54 2oqs h LEU 55 Ca -0.26 -0.40 -0.07 0.00 -0.12 0.00 0.00 57.88 57.02 2oqs h LEU 55 Cb 1.09 0.03 -0.17 0.00 -0.73 0.00 0.00 40.66 40.89 2oqs h LEU 55 CO 0.89 0.37 -0.03 0.00 -0.62 0.00 0.00 178.44 179.05 2oqs s ALA 56 N -4.10 -1.21 -0.13 1.25 0.00 -0.65 -0.35 121.76 116.58 2oqs s ALA 56 Ca -0.15 0.58 -0.05 0.00 0.00 0.00 0.00 51.96 52.34 2oqs s ALA 56 Cb 0.01 0.26 0.06 0.00 0.00 0.00 0.00 23.12 23.45 2oqs s ALA 56 CO 0.58 -0.43 0.27 0.54 0.00 0.00 0.00 175.76 176.72 2oqs s VAL 57 N -2.08 -0.30 -1.10 0.00 0.11 0.24 0.11 120.40 117.38 2oqs s VAL 57 Ca -0.07 0.23 -0.02 0.00 -2.93 0.00 0.00 61.98 59.19 2oqs s VAL 57 Cb -0.01 -0.44 0.00 0.00 -1.53 0.00 0.00 36.38 34.40 2oqs s VAL 57 CO 0.01 0.10 0.25 0.59 -3.33 0.00 0.00 175.10 172.72 2oqs n ASN 58 N 4.98 -4.48 0.00 3.54 4.13 -1.03 -2.55 115.26 119.85 2oqs n ASN 58 Ca -0.13 -0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.01 2oqs n ASN 58 Cb 0.51 -3.47 0.00 0.00 -1.54 0.00 0.00 39.78 35.28 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 -0.92 0.00 -4.88 6.41 2.85 -1.26 -5.03 115.26 112.42 2oqs n ASN 59 Ca -0.11 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.04 2oqs n ASN 59 Cb 0.60 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.57 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 -1.91 5.04 -0.01 3.44 -7.23 -1.06 -5.07 120.40 113.60 2oqs s VAL 60 Ca 0.00 0.31 -0.26 0.00 -1.81 0.00 0.00 61.98 60.22 2oqs s VAL 60 Cb 0.00 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.27 2oqs s VAL 60 CO 0.00 0.03 0.80 0.00 -0.31 0.00 0.00 175.10 175.62 2oqs n LEU 62 N 3.53 6.41 -0.00 0.00 7.94 0.52 -4.32 117.00 131.07 2oqs n LEU 62 Ca 0.00 -3.74 0.01 0.00 -1.11 0.00 0.00 56.01 51.17 2oqs n LEU 62 Cb 0.51 -0.82 -0.01 0.00 0.53 0.00 0.00 43.42 43.63 2oqs n LEU 62 CO 0.49 1.15 -0.48 1.21 -1.11 0.00 0.00 177.39 178.64 2oqs n GLU 63 N -1.11 0.44 -2.17 1.96 0.00 -1.24 -1.67 120.64 116.84 2oqs n GLU 63 Ca 0.56 -0.01 -0.23 0.00 0.00 0.00 0.00 57.16 57.47 2oqs n GLU 63 Cb 1.45 -1.00 0.02 0.00 0.00 0.00 0.00 31.44 31.90 2oqs n GLU 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2oqs n GLU 64 N -1.52 3.45 -4.08 5.31 1.02 -1.26 -4.24 120.64 119.31 2oqs n GLU 64 Ca -0.00 -4.20 -0.09 0.00 -0.02 0.00 0.00 57.16 52.85 2oqs n GLU 64 Cb 0.03 -2.22 -0.10 0.00 -0.02 0.00 0.00 31.44 29.13 2oqs n GLU 64 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2oqs s VAL 65 N -4.74 0.32 0.33 2.62 -7.23 -1.26 -5.12 120.40 105.31 2oqs s VAL 65 Ca 0.49 -1.61 -0.05 0.00 -1.81 0.00 0.00 61.98 58.99 2oqs s VAL 65 Cb 0.40 -1.25 0.08 0.00 0.56 0.00 0.00 36.38 36.18 2oqs s VAL 65 CO -0.01 -0.84 0.29 0.35 -0.31 0.00 0.00 175.10 174.58 2oqs n THR 66 N 0.46 0.00 -0.05 5.32 -2.24 -1.26 -2.96 114.28 113.55 2oqs n THR 66 Ca -0.16 -0.13 -0.15 0.00 -2.27 0.00 0.00 64.05 61.34 2oqs n THR 66 Cb 0.59 -1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 67.74 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 -1.83 1.01 -0.70 4.78 2.76 -0.70 -2.76 115.15 117.70 2oqs h HIS 67 Ca -0.11 -0.39 0.14 0.00 -2.20 0.00 0.00 60.37 57.81 2oqs h HIS 67 Cb 0.33 -0.18 -0.10 0.00 1.55 0.00 0.00 27.41 29.02 2oqs h HIS 67 CO 0.00 1.21 0.22 1.05 -1.30 0.00 0.00 177.93 179.10 2oqs h GLU 68 N 0.59 0.33 -0.21 5.26 4.11 -1.93 0.13 114.58 122.85 2oqs h GLU 68 Ca -0.01 -0.02 -0.10 0.00 0.07 0.00 0.00 59.36 59.30 2oqs h GLU 68 Cb 1.23 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2oqs h GLU 68 CO 0.13 0.22 -0.32 1.49 0.07 0.00 0.00 179.01 180.60 2oqs h GLU 69 N 0.34 0.43 -0.68 1.06 4.22 -1.90 0.16 114.58 118.21 2oqs h GLU 69 Ca 0.38 -0.18 0.04 0.00 0.08 0.00 0.00 59.36 59.68 2oqs h GLU 69 Cb 0.60 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 2oqs h GLU 69 CO -0.43 0.70 0.41 0.00 -2.18 0.00 0.00 179.01 177.51 2oqs h ALA 70 N 1.29 0.89 0.09 2.92 0.00 -0.50 0.11 119.26 124.07 2oqs h ALA 70 Ca 0.05 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.68 2oqs h ALA 70 Cb 0.74 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2oqs h ALA 70 CO 0.06 0.15 -1.24 0.28 0.00 0.00 0.00 179.25 178.50 2oqs h VAL 71 N 0.79 1.49 -0.64 0.00 2.07 -1.06 -2.90 116.25 115.99 2oqs h VAL 71 Ca 0.28 -3.11 -0.04 0.00 0.82 0.00 0.00 66.70 64.65 2oqs h VAL 71 Cb 0.07 2.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.70 2oqs h VAL 71 CO -0.13 0.89 0.24 0.74 0.02 0.00 0.00 177.57 179.33 2oqs h THR 72 N 0.05 1.24 -0.10 2.57 2.02 -0.26 0.59 112.91 119.02 2oqs h THR 72 Ca -0.12 -0.77 -0.20 0.00 0.77 0.00 0.00 66.41 66.08 2oqs h THR 72 Cb 1.93 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 2oqs h THR 72 CO 0.18 0.30 -0.75 0.00 0.37 0.00 0.00 175.52 175.61 2oqs h ALA 73 N 1.10 0.48 0.00 6.16 0.00 -0.89 -0.21 119.26 125.89 2oqs h ALA 73 Ca 0.21 -0.61 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 2oqs h ALA 73 Cb 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2oqs h ALA 73 CO -0.01 0.73 -0.43 -0.07 0.00 0.00 0.00 179.25 179.47 2oqs h LEU 74 N 0.38 0.00 0.00 0.00 -0.00 -1.33 -2.64 115.31 111.72 2oqs h LEU 74 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 2oqs h LEU 74 Cb 1.35 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.01 2oqs h LEU 74 CO 0.14 0.43 -0.58 2.29 -0.00 0.00 0.00 178.44 180.71 2oqs n LYS 75 N -4.02 0.16 -1.35 1.13 2.85 0.18 -4.47 118.16 112.65 2oqs n LYS 75 Ca -0.02 0.04 -0.38 0.00 -1.05 0.00 0.00 58.31 56.90 2oqs n LYS 75 Cb 0.45 -1.59 -0.03 0.00 -0.65 0.00 0.00 35.03 33.21 2oqs n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2oqs n ASN 76 N -1.82 8.57 -4.17 -5.58 5.15 -0.10 -4.87 115.26 112.44 2oqs n ASN 76 Ca 0.04 -2.61 -0.28 0.00 -0.60 0.00 0.00 54.58 51.13 2oqs n ASN 76 Cb 0.39 -1.54 -0.16 0.00 -0.53 0.00 0.00 39.78 37.94 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 1.86 1.62 0.00 -0.44 -4.23 -1.26 -4.94 115.64 108.25 2oqs s THR 77 Ca 0.69 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 60.38 2oqs s THR 77 Cb 0.19 -1.39 0.00 0.00 1.34 0.00 0.00 72.50 72.64 2oqs s THR 77 CO -0.06 0.46 0.00 -1.20 -0.54 0.00 0.00 174.62 173.28 2oqs n SER 78 N 3.16 0.00 -0.12 3.99 7.64 -1.26 -4.99 113.62 122.04 2oqs n SER 78 Ca -0.18 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.43 2oqs n SER 78 Cb 0.53 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.62 2oqs n SER 78 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2oqs n ASP 79 N -1.01 1.94 -4.45 6.43 2.03 -1.26 -4.80 116.55 115.42 2oqs n ASP 79 Ca 0.00 0.32 -0.22 0.00 0.52 0.00 0.00 54.79 55.41 2oqs n ASP 79 Cb 0.00 -0.83 -0.10 0.00 -0.72 0.00 0.00 41.12 39.46 2oqs n ASP 79 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2oqs s PHE 80 N -2.47 2.01 -0.04 -0.67 0.08 -1.26 -2.21 117.98 113.42 2oqs s PHE 80 Ca -0.35 -0.95 -0.01 0.00 0.12 0.00 0.00 56.93 55.74 2oqs s PHE 80 Cb 0.12 -1.33 0.03 0.00 -0.57 0.00 0.00 43.02 41.27 2oqs s PHE 80 CO 0.54 0.04 0.08 0.14 -0.10 0.00 0.00 175.22 175.91 2oqs s VAL 81 N -3.24 -0.07 -0.45 -0.44 -7.23 -0.88 -4.85 120.40 103.24 2oqs s VAL 81 Ca 0.35 0.23 -0.04 0.00 -1.81 0.00 0.00 61.98 60.71 2oqs s VAL 81 Cb 0.08 -0.15 0.12 0.00 0.56 0.00 0.00 36.38 36.99 2oqs s VAL 81 CO 0.16 0.09 0.27 -0.47 -0.31 0.00 0.00 175.10 174.84 2oqs s TYR 82 N 1.26 3.53 -0.04 2.82 6.14 -1.26 -2.48 117.35 127.32 2oqs s TYR 82 Ca -0.07 -2.32 -0.19 0.00 0.64 0.00 0.00 57.07 55.12 2oqs s TYR 82 Cb -0.12 -3.30 -0.05 0.00 0.42 0.00 0.00 41.96 38.91 2oqs s TYR 82 CO -0.04 -0.96 0.54 -1.17 0.64 0.00 0.00 175.55 174.55 2oqs s LEU 83 N 1.05 4.37 -0.08 6.97 0.20 -1.11 -2.45 118.68 127.63 2oqs s LEU 83 Ca 0.09 1.02 0.05 0.00 0.69 0.00 0.00 54.13 55.98 2oqs s LEU 83 Cb -0.23 -2.81 -0.01 0.00 -0.43 0.00 0.00 46.19 42.71 2oqs s LEU 83 CO -0.03 0.09 -0.23 -0.54 -0.29 0.00 0.00 176.35 175.34 2oqs s LYS 84 N 0.01 2.84 -0.02 1.98 1.02 0.29 -2.29 119.74 123.57 2oqs s LYS 84 Ca 0.29 -0.87 0.07 0.00 0.02 0.00 0.00 55.97 55.48 2oqs s LYS 84 Cb -0.17 -2.27 -0.02 0.00 -0.52 0.00 0.00 37.83 34.85 2oqs s LYS 84 CO 0.14 0.29 -0.24 0.08 -0.92 0.00 0.00 175.35 174.70 2oqs s VAL 85 N 0.08 1.93 0.21 3.17 1.01 -0.96 0.75 120.40 126.57 2oqs s VAL 85 Ca -0.10 -1.04 -0.22 0.00 0.00 0.00 0.00 61.98 60.62 2oqs s VAL 85 Cb -0.16 -1.60 -0.08 0.00 0.00 0.00 0.00 36.38 34.54 2oqs s VAL 85 CO 0.06 0.54 0.76 0.00 0.00 0.00 0.00 175.10 176.46 2oqs s ALA 86 N -0.55 3.41 -0.46 5.51 0.00 -1.24 -3.86 121.76 124.58 2oqs s ALA 86 Ca 0.09 0.26 -0.19 0.00 0.00 0.00 0.00 51.96 52.12 2oqs s ALA 86 Cb -0.10 -2.89 0.04 0.00 0.00 0.00 0.00 23.12 20.17 2oqs s ALA 86 CO -0.01 0.30 0.54 0.21 0.00 0.00 0.00 175.76 176.81 2oqs s LYS 87 N -1.67 3.14 -0.17 0.00 2.20 -1.26 -4.73 119.74 117.24 2oqs s LYS 87 Ca 0.41 -0.75 -0.29 0.00 -0.36 0.00 0.00 55.97 54.98 2oqs s LYS 87 Cb -0.19 -4.01 -0.03 0.00 -1.51 0.00 0.00 37.83 32.09 2oqs s LYS 87 CO 0.23 -1.02 1.49 -1.25 -0.36 0.00 0.00 175.35 174.45 2oqs s PRO 88 N 2.42 4.02 -0.27 4.03 0.04 -1.26 -4.98 135.00 139.00 2oqs s PRO 88 Ca 0.15 1.74 -0.02 0.00 0.04 0.00 0.00 61.00 62.91 2oqs s PRO 88 Cb -0.17 -3.93 0.11 0.00 0.04 0.00 0.00 34.50 30.55 2oqs s PRO 88 CO 0.14 -1.01 0.22 0.99 0.04 0.00 0.00 177.00 177.38 2oqs s THR 89 N 4.36 -0.26 0.00 1.26 2.01 -1.26 -5.03 115.64 116.72 2oqs s THR 89 Ca 0.66 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 62.16 2oqs s THR 89 Cb -0.25 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.35 2oqs s THR 89 CO 0.25 -0.50 0.00 0.61 -0.69 0.00 0.00 174.62 174.29 2oqs n GLY 90 N 5.29 -0.27 0.07 4.40 0.00 -1.26 -5.04 105.19 108.38 2oqs n GLY 90 Ca -0.04 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.02 -0.01 1.61 0.02 -2.04 -3.56 113.55 109.55 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 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2oqs h SER 91 CO 0.00 0.81 0.00 1.57 -1.14 0.00 0.00 176.83 178.07