#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 1.58 -0.05 0.03 1.03 -1.26 -0.34 118.70 119.70 2oqs s GLU 2 Ca 0.00 -1.67 -0.05 0.00 0.03 0.00 0.00 54.97 53.28 2oqs s GLU 2 Cb 0.00 -1.69 0.01 0.00 -0.80 0.00 0.00 34.13 31.65 2oqs s GLU 2 CO 0.00 0.33 0.14 0.42 -1.33 0.00 0.00 175.26 174.82 2oqs s ILE 3 N -2.32 0.01 -0.78 1.83 1.09 -0.87 -5.02 121.20 115.14 2oqs s ILE 3 Ca 0.26 -0.11 -0.13 0.00 -1.10 0.00 0.00 60.65 59.57 2oqs s ILE 3 Cb -0.05 -0.24 0.20 0.00 -1.06 0.00 0.00 42.46 41.31 2oqs s ILE 3 CO 0.12 -0.06 0.71 -0.54 -0.10 0.00 0.00 174.94 175.08 2oqs s LYS 4 N -0.14 3.45 -0.18 2.79 1.02 -1.26 -2.63 119.74 122.78 2oqs s LYS 4 Ca -0.02 -2.39 -0.21 0.00 0.02 0.00 0.00 55.97 53.36 2oqs s LYS 4 Cb -0.02 -4.35 -0.03 0.00 -0.52 0.00 0.00 37.83 32.91 2oqs s LYS 4 CO 0.00 -1.28 0.64 -0.51 -0.92 0.00 0.00 175.35 173.28 2oqs s LEU 5 N 0.29 4.16 -0.14 3.17 1.43 -0.98 -4.97 118.68 121.64 2oqs s LEU 5 Ca 0.16 0.88 -0.14 0.00 -1.03 0.00 0.00 54.13 54.00 2oqs s LEU 5 Cb -0.13 -2.92 -0.05 0.00 0.03 0.00 0.00 46.19 43.12 2oqs s LEU 5 CO -0.07 -0.26 0.32 -0.51 0.23 0.00 0.00 176.35 176.06 2oqs s ILE 6 N 1.80 5.28 -0.13 -0.59 2.07 -1.26 -0.89 121.20 127.48 2oqs s ILE 6 Ca 0.30 0.61 -0.30 0.00 -1.41 0.00 0.00 60.65 59.85 2oqs s ILE 6 Cb -0.16 -3.65 -0.07 0.00 0.13 0.00 0.00 42.46 38.71 2oqs s ILE 6 CO 0.11 0.40 2.11 1.17 -1.91 0.00 0.00 174.94 176.83 2oqs n LYS 7 N 3.40 2.24 0.00 3.50 3.00 -0.29 -4.94 118.16 125.08 2oqs n LYS 7 Ca -0.12 0.72 0.00 0.00 -0.00 0.00 0.00 58.31 58.91 2oqs n LYS 7 Cb 0.52 -3.08 0.00 0.00 0.00 0.00 0.00 35.03 32.47 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 5.30 2.66 0.00 3.14 0.00 -1.26 -4.97 105.19 110.07 2oqs n GLY 8 Ca 0.27 -1.87 0.06 0.00 0.00 0.00 0.00 46.02 44.47 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 0.69 0.00 1.61 -0.02 -1.26 -4.48 135.00 131.54 2oqs n PRO 9 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2oqs n PRO 9 Cb 0.00 -1.28 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 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 -0.78 0.00 0.00 -0.52 4.76 -1.26 -5.18 118.16 115.18 2oqs n LYS 10 Ca 0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 2oqs n LYS 10 Cb 0.04 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.23 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 -0.22 0.53 0.42 0.72 0.00 -1.26 -4.90 105.19 100.47 2oqs n GLY 11 Ca 0.00 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.82 -2.03 0.99 3.38 -1.95 -2.21 115.31 111.66 2oqs h LEU 12 Ca 0.00 0.28 -0.19 0.00 0.09 0.00 0.00 57.88 58.07 2oqs h LEU 12 Cb 0.00 0.81 0.11 0.00 0.09 0.00 0.00 40.66 41.67 2oqs h LEU 12 CO 0.00 -0.31 -0.48 0.61 0.09 0.00 0.00 178.44 178.35 2oqs n GLY 13 N -1.35 -0.12 1.47 0.83 0.00 -1.26 0.64 105.19 105.40 2oqs n GLY 13 Ca 0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.79 -1.33 -4.49 1.61 1.16 -1.26 0.32 117.46 110.67 2oqs n PHE 14 Ca -0.14 -0.65 -0.23 0.00 -1.87 0.00 0.00 57.45 54.56 2oqs n PHE 14 Cb 0.59 0.32 -0.11 0.00 -1.61 0.00 0.00 39.48 38.68 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 -1.85 2.88 0.28 5.98 1.04 0.26 -4.88 113.70 117.41 2oqs s SER 15 Ca 0.07 -1.33 -0.17 0.00 0.48 0.00 0.00 55.95 55.00 2oqs s SER 15 Cb -0.02 -0.19 0.01 0.00 0.10 0.00 0.00 66.02 65.93 2oqs s SER 15 CO 0.04 -0.50 0.64 0.27 0.98 0.00 0.00 173.24 174.67 2oqs s ILE 16 N -3.07 0.00 0.21 -1.02 -0.00 -1.26 -1.92 121.20 114.15 2oqs s ILE 16 Ca 0.35 -1.16 0.01 0.00 -0.00 0.00 0.00 60.65 59.84 2oqs s ILE 16 Cb 0.08 -2.18 -0.05 0.00 -0.00 0.00 0.00 42.46 40.31 2oqs s ILE 16 CO 0.15 0.00 0.08 0.00 -0.00 0.00 0.00 174.94 175.17 2oqs s ALA 17 N -3.75 1.42 0.00 2.27 0.00 0.76 -4.73 121.76 117.73 2oqs s ALA 17 Ca 0.16 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.40 2oqs s ALA 17 Cb -0.04 0.98 0.00 0.00 0.00 0.00 0.00 23.12 24.06 2oqs s ALA 17 CO 0.09 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 175.80 2oqs n GLY 18 N -0.33 2.12 0.00 0.00 0.00 -1.18 -1.85 105.19 103.95 2oqs n GLY 18 Ca -0.02 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 2.84 3.77 -0.02 0.00 -1.15 -0.61 105.19 110.02 2oqs n GLY 19 Ca 0.00 -1.86 -0.40 0.00 0.00 0.00 0.00 46.02 43.76 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 -2.58 2.50 0.00 1.61 1.01 -1.26 0.19 120.40 121.87 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 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.78 2oqs n GLY 21 N 0.65 2.92 0.98 4.51 0.00 -1.26 -4.62 105.19 108.36 2oqs n GLY 21 Ca 0.04 0.00 0.01 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 0.40 -4.75 1.61 6.94 -0.99 -5.12 115.26 113.36 2oqs n ASN 22 Ca 0.00 -1.95 -0.36 0.00 -0.02 0.00 0.00 54.58 52.25 2oqs n ASN 22 Cb 0.00 -0.21 0.05 0.00 -2.36 0.00 0.00 39.78 37.25 2oqs n ASN 22 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 2oqs s GLN 23 N 0.00 2.82 -0.01 -3.83 0.74 0.13 -3.13 119.66 116.38 2oqs s GLN 23 Ca 0.15 1.86 0.13 0.00 0.05 0.00 0.00 55.36 57.56 2oqs s GLN 23 Cb 0.18 -1.90 -0.21 0.00 1.10 0.00 0.00 33.01 32.17 2oqs s GLN 23 CO -0.08 -1.34 0.73 1.25 -0.55 0.00 0.00 175.29 175.30 2oqs h HIS 24 N 0.71 0.00 -3.04 1.67 -0.00 -1.84 -3.46 115.15 109.19 2oqs h HIS 24 Ca -0.50 0.00 -0.20 0.00 -0.00 0.00 0.00 60.37 59.66 2oqs h HIS 24 Cb 1.30 0.00 -0.30 0.00 -0.00 0.00 0.00 27.41 28.41 2oqs h HIS 24 CO 0.46 0.91 -0.50 0.42 -0.00 0.00 0.00 177.93 179.21 2oqs s ILE 25 N -2.67 -0.07 0.09 6.26 1.01 -1.26 -5.07 121.20 119.49 2oqs s ILE 25 Ca -0.04 0.16 -0.33 0.00 0.00 0.00 0.00 60.65 60.45 2oqs s ILE 25 Cb 0.08 -0.37 -0.12 0.00 0.01 0.00 0.00 42.46 42.06 2oqs s ILE 25 CO 0.82 0.07 1.74 -0.81 0.00 0.00 0.00 174.94 176.76 2oqs n PRO 26 N 4.33 2.41 0.00 2.79 -0.04 -1.26 -2.79 135.00 140.43 2oqs n PRO 26 Ca -0.24 0.87 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 2oqs n PRO 26 Cb 0.53 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.28 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 3.94 2.90 3.50 0.55 0.00 -1.26 -5.00 105.19 109.82 2oqs n GLY 27 Ca 0.19 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 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 6.26 -0.04 1.61 -1.08 -1.12 -4.93 116.67 117.37 2oqs s ASP 28 Ca 0.00 -0.51 0.05 0.00 -0.52 0.00 0.00 52.55 51.57 2oqs s ASP 28 Cb 0.00 -2.27 0.22 0.00 -1.46 0.00 0.00 42.92 39.41 2oqs s ASP 28 CO 0.00 -0.69 0.97 -0.46 0.52 0.00 0.00 175.17 175.51 2oqs n ASN 29 N 5.96 1.95 -4.90 -0.34 6.94 -1.26 -4.32 115.26 119.29 2oqs n ASN 29 Ca -0.04 -2.18 -0.28 0.00 -0.02 0.00 0.00 54.58 52.06 2oqs n ASN 29 Cb 0.48 -0.41 0.01 0.00 -2.36 0.00 0.00 39.78 37.49 2oqs n ASN 29 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2oqs s SER 30 N -0.50 6.10 0.06 0.53 0.01 -1.26 -2.94 113.70 115.70 2oqs s SER 30 Ca 0.15 0.97 -0.31 0.00 1.31 0.00 0.00 55.95 58.08 2oqs s SER 30 Cb 0.11 -2.17 -0.06 0.00 0.21 0.00 0.00 66.02 64.11 2oqs s SER 30 CO 0.06 -0.75 1.20 -0.63 0.41 0.00 0.00 173.24 173.54 2oqs s ILE 31 N -2.88 4.03 0.09 1.44 1.09 -1.14 -4.59 121.20 119.25 2oqs s ILE 31 Ca 0.50 1.46 0.10 0.00 -1.10 0.00 0.00 60.65 61.61 2oqs s ILE 31 Cb -0.10 -3.93 -0.03 0.00 -1.06 0.00 0.00 42.46 37.33 2oqs s ILE 31 CO 0.47 0.11 -0.25 -0.31 -0.10 0.00 0.00 174.94 174.86 2oqs s TYR 32 N 1.07 2.19 -0.08 3.97 1.51 -0.77 0.14 117.35 125.38 2oqs s TYR 32 Ca 0.59 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.96 2oqs s TYR 32 Cb -0.29 -1.23 -0.02 0.00 -0.11 0.00 0.00 41.96 40.30 2oqs s TYR 32 CO 0.29 0.24 1.12 0.08 -1.11 0.00 0.00 175.55 176.16 2oqs s VAL 33 N -0.98 4.49 -0.12 0.71 1.01 -1.21 -0.17 120.40 124.13 2oqs s VAL 33 Ca 0.12 1.79 0.17 0.00 0.00 0.00 0.00 61.98 64.05 2oqs s VAL 33 Cb -0.10 -4.15 -0.23 0.00 0.00 0.00 0.00 36.38 31.90 2oqs s VAL 33 CO 0.04 -0.00 0.43 0.35 0.00 0.00 0.00 175.10 175.92 2oqs n THR 34 N 4.61 1.29 -3.62 3.92 -2.24 -0.81 -3.01 114.28 114.42 2oqs n THR 34 Ca 0.10 -0.78 -0.04 0.00 -2.27 0.00 0.00 64.05 61.07 2oqs n THR 34 Cb 0.47 -0.65 -0.06 0.00 -2.10 0.00 0.00 70.33 67.99 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 -2.70 0.49 -0.25 -0.78 1.02 -1.25 -4.96 119.74 111.31 2oqs s LYS 35 Ca -0.07 0.90 -0.11 0.00 0.02 0.00 0.00 55.97 56.71 2oqs s LYS 35 Cb 0.08 0.17 -0.05 0.00 -0.52 0.00 0.00 37.83 37.51 2oqs s LYS 35 CO 0.83 -0.11 0.18 0.42 -0.92 0.00 0.00 175.35 175.75 2oqs s ILE 36 N 1.62 5.34 0.39 2.17 1.01 -1.26 0.89 121.20 131.36 2oqs s ILE 36 Ca -0.09 0.20 -0.24 0.00 0.00 0.00 0.00 60.65 60.52 2oqs s ILE 36 Cb -0.05 -3.52 -0.09 0.00 0.01 0.00 0.00 42.46 38.81 2oqs s ILE 36 CO -0.17 0.31 1.03 -0.63 0.00 0.00 0.00 174.94 175.48 2oqs s ILE 37 N 1.31 3.83 0.52 2.92 1.09 0.15 -4.95 121.20 126.07 2oqs s ILE 37 Ca 0.08 1.39 -0.23 0.00 -1.10 0.00 0.00 60.65 60.79 2oqs s ILE 37 Cb -0.14 -3.71 -0.06 0.00 -1.06 0.00 0.00 42.46 37.49 2oqs s ILE 37 CO 0.07 -0.01 1.36 -0.62 -0.10 0.00 0.00 174.94 175.64 2oqs n GLU 38 N -0.06 1.81 -1.72 2.79 4.71 -1.26 -2.31 120.64 124.60 2oqs n GLU 38 Ca 0.05 0.66 -0.20 0.00 -0.01 0.00 0.00 57.16 57.66 2oqs n GLU 38 Cb 0.50 -2.57 -0.07 0.00 -1.01 0.00 0.00 31.44 28.29 2oqs n GLU 38 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2oqs n GLY 39 N 0.74 1.51 3.97 0.62 0.00 -1.26 -4.97 105.19 105.79 2oqs n GLY 39 Ca 0.09 0.00 -0.22 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 -2.59 1.80 0.15 -0.02 0.00 -0.98 -4.79 107.32 100.89 2oqs s GLY 40 Ca 0.00 -1.32 -0.28 0.00 0.00 0.00 0.00 44.72 43.12 2oqs s GLY 40 CO 0.00 -0.97 1.57 0.00 0.00 0.00 0.00 173.10 173.70 2oqs h ALA 41 N -0.13 -0.50 0.01 3.20 0.00 0.86 0.40 119.26 123.10 2oqs h ALA 41 Ca -0.42 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2oqs h ALA 41 Cb 1.30 0.95 0.00 0.00 0.00 0.00 0.00 17.79 20.04 2oqs h ALA 41 CO 0.52 -0.90 -0.00 0.00 0.00 0.00 0.00 179.25 178.86 2oqs h ALA 42 N 0.34 -0.01 -0.52 0.00 0.00 -1.86 -0.83 119.26 116.38 2oqs h ALA 42 Ca 0.13 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.00 2oqs h ALA 42 Cb 0.59 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 2oqs h ALA 42 CO -0.59 -0.36 -0.03 1.25 0.00 0.00 0.00 179.25 179.52 2oqs h HIS 43 N -0.29 -0.10 -0.34 0.00 6.17 -1.69 0.22 115.15 119.12 2oqs h HIS 43 Ca -0.00 0.04 -0.16 0.00 0.71 0.00 0.00 60.37 60.96 2oqs h HIS 43 Cb 0.29 0.12 -0.01 0.00 2.52 0.00 0.00 27.41 30.34 2oqs h HIS 43 CO 0.02 -0.15 -0.42 0.87 0.71 0.00 0.00 177.93 178.96 2oqs h LYS 44 N 0.08 0.84 0.54 5.26 1.57 -0.21 -3.29 116.57 121.37 2oqs h LYS 44 Ca 0.26 -0.46 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 2oqs h LYS 44 Cb 0.40 0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.74 2oqs h LYS 44 CO -0.46 1.10 -0.26 0.22 -0.57 0.00 0.00 179.45 179.47 2oqs h ASP 45 N 0.68 -0.62 0.00 0.86 1.82 -0.28 -3.47 116.42 115.41 2oqs h ASP 45 Ca 0.05 -0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2oqs h ASP 45 Cb 1.00 0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.17 2oqs h ASP 45 CO 0.10 -0.33 0.00 0.61 -1.61 0.00 0.00 179.24 178.00 2oqs n GLY 46 N -0.95 3.13 0.26 -0.78 0.00 0.69 -4.88 105.19 102.66 2oqs n GLY 46 Ca -0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 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 1.08 0.75 -5.57 1.61 1.57 -1.92 -3.42 116.57 110.68 2oqs h LYS 47 Ca 0.00 -0.31 -0.60 0.00 -1.87 0.00 0.00 60.65 57.87 2oqs h LYS 47 Cb 0.00 -0.03 -0.10 0.00 0.08 0.00 0.00 32.23 32.17 2oqs h LYS 47 CO 0.00 0.92 0.08 -1.17 -0.57 0.00 0.00 179.45 178.70 2oqs s LEU 48 N -8.87 4.12 0.01 2.94 0.20 -1.26 -5.06 118.68 110.75 2oqs s LEU 48 Ca -0.09 0.74 0.05 0.00 0.69 0.00 0.00 54.13 55.51 2oqs s LEU 48 Cb 0.13 -2.82 -0.02 0.00 -0.43 0.00 0.00 46.19 43.06 2oqs s LEU 48 CO 0.83 -0.27 -0.15 0.00 -0.29 0.00 0.00 176.35 176.47 2oqs s GLN 49 N 2.02 1.12 -0.13 1.98 0.00 -1.26 -4.66 119.66 118.73 2oqs s GLN 49 Ca 0.26 -0.64 -0.39 0.00 -0.00 0.00 0.00 55.36 54.59 2oqs s GLN 49 Cb -0.16 -1.11 -0.17 0.00 0.00 0.00 0.00 33.01 31.58 2oqs s GLN 49 CO 0.10 0.29 1.53 0.44 0.00 0.00 0.00 175.29 177.65 2oqs n ILE 50 N 2.37 0.14 0.00 3.63 -5.35 -1.26 -2.25 119.36 116.64 2oqs n ILE 50 Ca -0.16 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 2oqs n ILE 50 Cb 0.55 -0.93 0.00 0.00 -1.74 0.00 0.00 39.64 37.52 2oqs n ILE 50 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2oqs n GLY 51 N 3.34 2.04 3.79 3.28 0.00 -1.16 -5.01 105.19 111.47 2oqs n GLY 51 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.82 5.01 0.05 1.61 1.47 -0.96 -4.86 116.67 117.18 2oqs s ASP 52 Ca 0.00 1.74 0.03 0.00 1.18 0.00 0.00 52.55 55.50 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 -1.69 0.02 -1.59 0.68 0.00 0.00 175.17 172.58 2oqs s LYS 53 N -4.87 2.70 -0.50 2.11 0.00 -1.26 -3.29 119.74 114.63 2oqs s LYS 53 Ca 0.60 -0.72 -0.18 0.00 0.00 0.00 0.00 55.97 55.67 2oqs s LYS 53 Cb -0.16 -2.63 0.07 0.00 0.00 0.00 0.00 37.83 35.11 2oqs s LYS 53 CO 0.54 0.58 0.55 -0.51 0.00 0.00 0.00 175.35 176.51 2oqs s LEU 54 N -2.04 5.22 -0.04 2.77 1.43 0.36 -2.71 118.68 123.67 2oqs s LEU 54 Ca 0.24 -1.08 -0.22 0.00 -1.03 0.00 0.00 54.13 52.04 2oqs s LEU 54 Cb -0.12 -2.35 -0.16 0.00 0.03 0.00 0.00 46.19 43.59 2oqs s LEU 54 CO 0.16 -0.82 0.95 0.25 0.23 0.00 0.00 176.35 177.12 2oqs h LEU 55 N 9.40 -0.20 -7.54 1.79 6.46 0.19 -3.37 115.31 122.04 2oqs h LEU 55 Ca -0.28 -0.34 -0.12 0.00 -0.12 0.00 0.00 57.88 57.02 2oqs h LEU 55 Cb 1.10 0.05 -0.21 0.00 -0.73 0.00 0.00 40.66 40.87 2oqs h LEU 55 CO 0.94 0.33 -0.32 0.00 -0.62 0.00 0.00 178.44 178.77 2oqs s ALA 56 N -3.89 -0.71 -0.21 1.25 0.00 -0.17 -0.80 121.76 117.24 2oqs s ALA 56 Ca -0.13 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.14 2oqs s ALA 56 Cb 0.01 0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.20 2oqs s ALA 56 CO 0.50 -0.24 -0.05 0.08 0.00 0.00 0.00 175.76 176.05 2oqs s VAL 57 N -1.18 1.32 -1.16 0.00 1.01 0.33 0.03 120.40 120.76 2oqs s VAL 57 Ca -0.12 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 60.84 2oqs s VAL 57 Cb -0.05 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.76 2oqs s VAL 57 CO 0.03 -0.02 1.00 0.59 0.00 0.00 0.00 175.10 176.70 2oqs n ASN 58 N 4.77 -4.54 0.00 3.32 4.13 -0.71 -2.36 115.26 119.88 2oqs n ASN 58 Ca -0.12 -0.51 0.00 0.00 1.68 0.00 0.00 54.58 55.63 2oqs n ASN 58 Cb 0.46 -4.57 0.00 0.00 -1.54 0.00 0.00 39.78 34.12 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 -2.66 0.00 -4.86 6.41 5.15 -1.26 -5.00 115.26 113.04 2oqs n ASN 59 Ca -0.09 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.58 2oqs n ASN 59 Cb 0.59 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.79 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 -1.47 4.74 -0.05 3.44 -7.23 -0.99 -5.04 120.40 113.80 2oqs s VAL 60 Ca 0.00 0.79 -0.21 0.00 -1.81 0.00 0.00 61.98 60.75 2oqs s VAL 60 Cb 0.00 -3.65 -0.05 0.00 0.56 0.00 0.00 36.38 33.25 2oqs s VAL 60 CO 0.00 -0.27 0.59 0.00 -0.31 0.00 0.00 175.10 175.11 2oqs n LEU 62 N 3.24 7.09 0.00 0.00 7.94 0.02 -4.84 117.00 130.45 2oqs n LEU 62 Ca -0.05 -3.97 0.00 0.00 -1.11 0.00 0.00 56.01 50.87 2oqs n LEU 62 Cb 0.51 -0.89 0.00 0.00 0.53 0.00 0.00 43.42 43.57 2oqs n LEU 62 CO 0.44 1.29 0.00 -0.62 -1.11 0.00 0.00 177.39 177.39 2oqs n GLU 63 N -1.03 0.00 -1.57 1.96 4.71 -1.26 -2.86 120.64 120.59 2oqs n GLU 63 Ca 0.60 0.00 -0.14 0.00 -0.01 0.00 0.00 57.16 57.61 2oqs n GLU 63 Cb 1.15 0.00 -0.11 0.00 -1.01 0.00 0.00 31.44 31.47 2oqs n GLU 63 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2oqs n GLU 64 N 0.00 0.17 -3.77 3.49 4.71 -1.26 -4.55 120.64 119.43 2oqs n GLU 64 Ca 0.00 -1.55 -0.13 0.00 -0.01 0.00 0.00 57.16 55.47 2oqs n GLU 64 Cb 0.00 -3.88 -0.10 0.00 -1.01 0.00 0.00 31.44 26.45 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 16.94 0.03 0.80 2.62 -7.23 -1.26 -5.11 120.40 127.19 2oqs s VAL 65 Ca 0.83 -0.24 -0.11 0.00 -1.81 0.00 0.00 61.98 60.65 2oqs s VAL 65 Cb -0.06 -0.52 0.08 0.00 0.56 0.00 0.00 36.38 36.44 2oqs s VAL 65 CO 0.17 -0.13 1.12 -0.89 -0.31 0.00 0.00 175.10 175.06 2oqs s THR 66 N -0.56 2.82 0.40 5.32 2.01 -1.26 -3.06 115.64 121.31 2oqs s THR 66 Ca -0.07 0.29 0.15 0.00 0.31 0.00 0.00 61.69 62.37 2oqs s THR 66 Cb -0.04 -2.63 0.37 0.00 0.01 0.00 0.00 72.50 70.21 2oqs s THR 66 CO 0.02 -0.33 1.84 -0.74 -0.69 0.00 0.00 174.62 174.73 2oqs h HIS 67 N -1.20 0.64 -0.57 4.92 2.76 -1.18 -0.62 115.15 119.90 2oqs h HIS 67 Ca -0.44 0.02 0.11 0.00 -2.20 0.00 0.00 60.37 57.86 2oqs h HIS 67 Cb 1.25 -0.19 -0.09 0.00 1.55 0.00 0.00 27.41 29.92 2oqs h HIS 67 CO 0.54 0.17 0.04 1.05 -1.30 0.00 0.00 177.93 178.43 2oqs h GLU 68 N 0.48 0.15 -0.27 5.26 4.11 -1.90 0.19 114.58 122.60 2oqs h GLU 68 Ca 0.49 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.87 2oqs h GLU 68 Cb 1.11 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 2oqs h GLU 68 CO -0.21 0.10 0.00 1.49 0.07 0.00 0.00 179.01 180.47 2oqs h GLU 69 N 0.16 0.41 -0.80 1.06 4.22 -1.45 0.16 114.58 118.34 2oqs h GLU 69 Ca 0.30 -0.07 0.02 0.00 0.08 0.00 0.00 59.36 59.68 2oqs h GLU 69 Cb 0.46 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 2oqs h GLU 69 CO -0.45 0.43 0.52 0.00 -2.18 0.00 0.00 179.01 177.33 2oqs h ALA 70 N 1.61 1.02 0.12 2.92 0.00 -0.43 0.22 119.26 124.73 2oqs h ALA 70 Ca 0.09 -0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.67 2oqs h ALA 70 Cb 0.26 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2oqs h ALA 70 CO 0.01 0.38 -1.31 0.28 0.00 0.00 0.00 179.25 178.61 2oqs h VAL 71 N 1.04 1.42 -0.56 0.00 2.07 -0.83 -2.87 116.25 116.52 2oqs h VAL 71 Ca 0.30 -3.01 -0.06 0.00 0.82 0.00 0.00 66.70 64.76 2oqs h VAL 71 Cb -0.07 2.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.58 2oqs h VAL 71 CO -0.08 0.87 0.13 0.74 0.02 0.00 0.00 177.57 179.25 2oqs h THR 72 N 0.07 1.23 0.11 2.57 2.02 -0.37 0.13 112.91 118.67 2oqs h THR 72 Ca -0.16 -0.86 -0.27 0.00 0.77 0.00 0.00 66.41 65.90 2oqs h THR 72 Cb 1.98 0.67 0.01 0.00 -1.74 0.00 0.00 68.15 69.06 2oqs h THR 72 CO 0.19 0.32 -1.19 0.00 0.37 0.00 0.00 175.52 175.22 2oqs h ALA 73 N 1.30 0.14 0.00 6.16 0.00 -1.05 -1.54 119.26 124.26 2oqs h ALA 73 Ca 0.18 -0.83 -0.12 0.00 0.00 0.00 0.00 54.91 54.14 2oqs h ALA 73 Cb 0.32 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2oqs h ALA 73 CO 0.00 0.89 -0.58 -0.07 0.00 0.00 0.00 179.25 179.49 2oqs h LEU 74 N 0.13 0.00 0.00 0.00 -0.00 -1.35 -3.05 115.31 111.04 2oqs h LEU 74 Ca -0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.73 2oqs h LEU 74 Cb 1.89 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.54 2oqs h LEU 74 CO 0.20 0.58 -0.68 0.07 -0.00 0.00 0.00 178.44 178.61 2oqs h LYS 75 N 0.00 0.00 -4.34 1.13 2.10 -0.77 -3.41 116.57 111.28 2oqs h LYS 75 Ca -0.01 0.00 -0.67 0.00 -2.00 0.00 0.00 60.65 57.97 2oqs h LYS 75 Cb 1.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 2oqs h LYS 75 CO 0.08 0.04 2.64 -1.71 -2.00 0.00 0.00 179.45 178.49 2oqs n ASN 76 N -2.85 3.23 -4.14 7.07 4.05 -0.58 -4.88 115.26 117.15 2oqs n ASN 76 Ca 0.01 -2.76 -0.25 0.00 0.45 0.00 0.00 54.58 52.03 2oqs n ASN 76 Cb 0.57 -1.40 -0.16 0.00 1.23 0.00 0.00 39.78 40.02 2oqs n ASN 76 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 2oqs s THR 77 N 4.36 1.37 0.00 -0.44 -1.32 -1.26 -4.99 115.64 113.36 2oqs s THR 77 Ca 0.53 -0.71 0.00 0.00 -1.21 0.00 0.00 61.69 60.30 2oqs s THR 77 Cb 0.13 -1.16 0.00 0.00 -1.51 0.00 0.00 72.50 69.97 2oqs s THR 77 CO 0.02 0.39 0.00 -0.24 -2.21 0.00 0.00 174.62 172.59 2oqs n SER 78 N 2.90 0.00 -0.11 8.08 2.88 -1.26 -5.02 113.62 121.09 2oqs n SER 78 Ca -0.16 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.19 2oqs n SER 78 Cb 0.54 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.93 2oqs n SER 78 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2oqs n ASP 79 N -0.81 1.91 -4.42 -3.46 9.92 -1.26 -4.74 116.55 113.70 2oqs n ASP 79 Ca 0.00 0.39 -0.20 0.00 -0.53 0.00 0.00 54.79 54.45 2oqs n ASP 79 Cb 0.00 -0.83 -0.10 0.00 -0.64 0.00 0.00 41.12 39.54 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 -2.56 1.86 -0.06 1.24 0.40 -1.26 -1.13 117.98 116.46 2oqs s PHE 80 Ca -0.31 -0.90 -0.03 0.00 -0.60 0.00 0.00 56.93 55.10 2oqs s PHE 80 Cb 0.08 -1.16 0.04 0.00 0.51 0.00 0.00 43.02 42.50 2oqs s PHE 80 CO 0.45 0.05 0.11 0.08 0.70 0.00 0.00 175.22 176.61 2oqs s VAL 81 N -3.27 -0.19 -0.61 -0.44 1.01 -0.07 -4.89 120.40 111.93 2oqs s VAL 81 Ca 0.33 0.39 -0.18 0.00 0.00 0.00 0.00 61.98 62.52 2oqs s VAL 81 Cb 0.07 -0.23 0.12 0.00 0.00 0.00 0.00 36.38 36.34 2oqs s VAL 81 CO 0.13 0.16 0.68 -0.47 0.00 0.00 0.00 175.10 175.60 2oqs s TYR 82 N 2.23 3.12 -0.11 5.22 6.14 -1.26 -2.33 117.35 130.37 2oqs s TYR 82 Ca 0.04 -1.14 -0.24 0.00 0.64 0.00 0.00 57.07 56.37 2oqs s TYR 82 Cb -0.12 -3.96 -0.03 0.00 0.42 0.00 0.00 41.96 38.27 2oqs s TYR 82 CO -0.04 -1.21 0.74 -1.17 0.64 0.00 0.00 175.55 174.50 2oqs s LEU 83 N 2.23 4.26 -0.17 6.97 0.20 -1.08 -1.73 118.68 129.36 2oqs s LEU 83 Ca 0.11 1.17 0.00 0.00 0.69 0.00 0.00 54.13 56.10 2oqs s LEU 83 Cb -0.24 -3.13 0.01 0.00 -0.43 0.00 0.00 46.19 42.40 2oqs s LEU 83 CO 0.04 -0.22 -0.16 -0.54 -0.29 0.00 0.00 176.35 175.17 2oqs s LYS 84 N 1.30 3.12 -0.11 1.98 -0.14 0.10 -2.05 119.74 123.95 2oqs s LYS 84 Ca 0.37 -0.78 0.01 0.00 -1.36 0.00 0.00 55.97 54.22 2oqs s LYS 84 Cb -0.17 -2.63 -0.02 0.00 -1.68 0.00 0.00 37.83 33.33 2oqs s LYS 84 CO 0.16 -0.11 -0.15 0.08 -0.76 0.00 0.00 175.35 174.58 2oqs s VAL 85 N 1.10 2.92 0.41 3.17 1.01 0.54 0.86 120.40 130.40 2oqs s VAL 85 Ca 0.00 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.16 2oqs s VAL 85 Cb -0.14 -2.20 -0.06 0.00 0.00 0.00 0.00 36.38 33.98 2oqs s VAL 85 CO -0.06 0.54 0.76 0.00 0.00 0.00 0.00 175.10 176.35 2oqs s ALA 86 N 0.12 3.36 -0.18 5.51 0.00 -1.10 -4.69 121.76 124.78 2oqs s ALA 86 Ca -0.07 -0.24 -0.06 0.00 0.00 0.00 0.00 51.96 51.59 2oqs s ALA 86 Cb -0.15 -2.68 -0.03 0.00 0.00 0.00 0.00 23.12 20.26 2oqs s ALA 86 CO 0.05 -0.02 0.02 -1.59 0.00 0.00 0.00 175.76 174.21 2oqs s LYS 87 N -3.90 3.80 0.61 0.00 -2.85 -1.26 -4.46 119.74 111.68 2oqs s LYS 87 Ca 0.51 -0.44 -0.17 0.00 -1.00 0.00 0.00 55.97 54.87 2oqs s LYS 87 Cb -0.10 -3.09 -0.03 0.00 -2.06 0.00 0.00 37.83 32.55 2oqs s LYS 87 CO 0.32 0.21 1.13 -1.25 0.10 0.00 0.00 175.35 175.86 2oqs s PRO 88 N 0.51 3.02 -0.02 1.78 0.04 -1.26 -5.07 135.00 134.01 2oqs s PRO 88 Ca 0.00 1.53 0.03 0.00 0.04 0.00 0.00 61.00 62.61 2oqs s PRO 88 Cb -0.13 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 2oqs s PRO 88 CO 0.02 -1.10 -0.12 0.99 0.04 0.00 0.00 177.00 176.83 2oqs s THR 89 N -2.03 0.93 -0.46 1.26 2.01 -1.26 -5.10 115.64 111.00 2oqs s THR 89 Ca 0.70 -0.49 -0.28 0.00 0.31 0.00 0.00 61.69 61.94 2oqs s THR 89 Cb -0.23 -0.79 -0.01 0.00 0.01 0.00 0.00 72.50 71.48 2oqs s THR 89 CO 0.35 0.27 1.71 -0.83 -0.69 0.00 0.00 174.62 175.43 2oqs s GLY 90 N -0.13 0.67 -0.05 4.40 0.00 -1.26 -4.88 107.32 106.06 2oqs s GLY 90 Ca 0.02 -0.21 -0.20 0.00 0.00 0.00 0.00 44.72 44.33 2oqs s GLY 90 CO -0.00 3.18 0.82 0.23 0.00 0.00 0.00 173.10 177.33 2oqs h SER 91 N 12.96 -0.25 -0.03 1.64 0.87 -2.06 -3.58 113.55 123.10 2oqs h SER 91 Ca -0.29 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.01 2oqs h SER 91 Cb 1.15 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2oqs h SER 91 CO 1.12 0.26 0.00 0.00 -0.53 0.00 0.00 176.83 177.68