#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 1.61 -0.32 2.12 1.03 -1.26 -0.72 118.70 121.16 2oqs s GLU 2 Ca 0.00 -1.31 -0.01 0.00 0.03 0.00 0.00 54.97 53.68 2oqs s GLU 2 Cb 0.00 -1.99 0.12 0.00 -0.80 0.00 0.00 34.13 31.46 2oqs s GLU 2 CO 0.00 0.45 0.20 0.42 -1.33 0.00 0.00 175.26 175.00 2oqs s ILE 3 N -1.24 -0.06 -0.03 1.83 1.01 0.14 -4.94 121.20 117.93 2oqs s ILE 3 Ca 0.17 -1.09 -0.06 0.00 0.00 0.00 0.00 60.65 59.67 2oqs s ILE 3 Cb -0.10 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 2oqs s ILE 3 CO 0.09 -0.78 0.22 -0.75 0.00 0.00 0.00 174.94 173.71 2oqs s LYS 4 N 1.70 3.51 0.25 2.79 2.20 -1.26 -2.21 119.74 126.72 2oqs s LYS 4 Ca 0.13 -0.15 -0.11 0.00 -0.36 0.00 0.00 55.97 55.48 2oqs s LYS 4 Cb -0.18 -3.11 -0.01 0.00 -1.51 0.00 0.00 37.83 33.02 2oqs s LYS 4 CO -0.20 0.69 0.45 -0.51 -0.36 0.00 0.00 175.35 175.42 2oqs s LEU 5 N -1.64 0.44 -0.19 5.43 1.43 -1.05 -5.02 118.68 118.09 2oqs s LEU 5 Ca 0.25 -1.02 -0.17 0.00 -1.03 0.00 0.00 54.13 52.16 2oqs s LEU 5 Cb -0.13 1.63 -0.04 0.00 0.03 0.00 0.00 46.19 47.68 2oqs s LEU 5 CO 0.14 -1.13 0.46 -0.51 0.23 0.00 0.00 176.35 175.54 2oqs s ILE 6 N -3.94 5.16 0.22 -0.59 2.07 -1.26 -2.72 121.20 120.14 2oqs s ILE 6 Ca 0.25 0.85 -0.30 0.00 -1.41 0.00 0.00 60.65 60.03 2oqs s ILE 6 Cb 0.00 -3.79 -0.10 0.00 0.13 0.00 0.00 42.46 38.70 2oqs s ILE 6 CO 0.10 0.23 1.44 -0.75 -1.91 0.00 0.00 174.94 174.05 2oqs s LYS 7 N 1.32 4.28 0.52 3.50 2.47 0.06 -4.99 119.74 126.90 2oqs s LYS 7 Ca 0.22 2.27 0.02 0.00 -1.56 0.00 0.00 55.97 56.92 2oqs s LYS 7 Cb -0.15 -3.13 0.00 0.00 -1.46 0.00 0.00 37.83 33.09 2oqs s LYS 7 CO 0.09 -0.43 0.13 0.20 0.16 0.00 0.00 175.35 175.50 2oqs s GLY 8 N 0.51 2.83 0.27 5.54 0.00 -1.26 -4.93 107.32 110.28 2oqs s GLY 8 Ca 0.61 -0.62 -0.04 0.00 0.00 0.00 0.00 44.72 44.67 2oqs s GLY 8 CO 0.40 -2.12 1.89 -2.55 0.00 0.00 0.00 173.10 170.72 2oqs h PRO 9 N 1.15 1.11 0.00 2.90 0.11 -1.99 -3.28 132.00 132.00 2oqs h PRO 9 Ca -0.42 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2oqs h PRO 9 Cb 1.31 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2oqs h PRO 9 CO 0.69 0.82 0.00 1.63 -0.21 0.00 0.00 178.00 180.92 2oqs n LYS 10 N -4.35 0.00 0.00 1.05 4.76 -1.26 -5.06 118.16 113.31 2oqs n LYS 10 Ca 0.08 0.50 0.00 0.00 -2.87 0.00 0.00 58.31 56.02 2oqs n LYS 10 Cb 0.10 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 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 -0.61 0.38 0.07 0.72 0.00 -1.24 -4.91 105.19 99.60 2oqs n GLY 11 Ca 0.00 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.03 0.99 3.38 -1.93 -3.39 115.31 114.33 2oqs h LEU 12 Ca 0.00 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2oqs h LEU 12 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2oqs h LEU 12 CO 0.00 0.93 0.00 0.61 0.09 0.00 0.00 178.44 180.07 2oqs n GLY 13 N 1.62 0.86 2.70 0.83 0.00 -1.26 0.41 105.19 110.35 2oqs n GLY 13 Ca -0.11 -0.62 -0.08 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 -3.04 -1.77 -4.52 1.61 1.16 -1.26 0.91 117.46 110.56 2oqs n PHE 14 Ca 0.00 -1.49 -0.24 0.00 -1.87 0.00 0.00 57.45 53.84 2oqs n PHE 14 Cb 0.35 0.60 -0.11 0.00 -1.61 0.00 0.00 39.48 38.72 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 -2.56 3.11 0.24 5.98 1.04 0.30 -4.90 113.70 116.92 2oqs s SER 15 Ca 0.15 -1.33 -0.17 0.00 0.48 0.00 0.00 55.95 55.08 2oqs s SER 15 Cb -0.03 -0.24 0.01 0.00 0.10 0.00 0.00 66.02 65.87 2oqs s SER 15 CO 0.11 -0.47 0.56 0.27 0.98 0.00 0.00 173.24 174.68 2oqs s ILE 16 N -2.98 0.01 0.19 -1.02 -0.00 -1.26 -2.07 121.20 114.08 2oqs s ILE 16 Ca 0.35 -1.08 -0.00 0.00 -0.00 0.00 0.00 60.65 59.91 2oqs s ILE 16 Cb 0.08 -1.94 -0.04 0.00 -0.00 0.00 0.00 42.46 40.56 2oqs s ILE 16 CO 0.16 -0.04 0.09 0.00 -0.00 0.00 0.00 174.94 175.15 2oqs s ALA 17 N -3.94 1.22 0.00 2.27 0.00 0.88 -4.71 121.76 117.48 2oqs s ALA 17 Ca 0.15 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.44 2oqs s ALA 17 Cb -0.02 1.12 0.00 0.00 0.00 0.00 0.00 23.12 24.22 2oqs s ALA 17 CO 0.04 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 175.70 2oqs n GLY 18 N -0.26 2.37 0.00 0.00 0.00 -1.26 -1.77 105.19 104.27 2oqs n GLY 18 Ca -0.01 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 2.55 3.75 -0.02 0.00 -0.99 -0.04 105.19 110.44 2oqs n GLY 19 Ca 0.00 -1.82 -0.37 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.44 2.47 0.00 1.61 1.01 -1.26 -0.14 120.40 121.64 2oqs s VAL 20 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.30 2oqs s VAL 20 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.23 2oqs s VAL 20 CO 0.00 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.68 2oqs n GLY 21 N 0.61 3.13 0.28 4.51 0.00 -1.26 -4.59 105.19 107.87 2oqs n GLY 21 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.13 -4.47 1.61 6.94 -1.04 -5.12 115.26 113.31 2oqs n ASN 22 Ca 0.00 -1.64 -0.46 0.00 -0.02 0.00 0.00 54.58 52.46 2oqs n ASN 22 Cb 0.00 -0.12 -0.02 0.00 -2.36 0.00 0.00 39.78 37.27 2oqs n ASN 22 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 2oqs n GLN 23 N -0.06 0.52 -0.02 -3.83 7.27 0.80 -4.13 117.38 117.93 2oqs n GLN 23 Ca 0.01 0.18 -0.08 0.00 0.07 0.00 0.00 57.00 57.17 2oqs n GLN 23 Cb 0.61 -1.33 -0.14 0.00 2.41 0.00 0.00 30.24 31.79 2oqs n GLN 23 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 2oqs h HIS 24 N 1.33 0.00 -3.34 3.69 -0.00 -1.84 -3.47 115.15 111.52 2oqs h HIS 24 Ca -0.33 0.00 -0.30 0.00 -0.00 0.00 0.00 60.37 59.74 2oqs h HIS 24 Cb 1.40 0.00 -0.35 0.00 -0.00 0.00 0.00 27.41 28.46 2oqs h HIS 24 CO 0.43 0.99 -0.68 0.42 -0.00 0.00 0.00 177.93 179.09 2oqs s ILE 25 N -2.61 -0.10 -0.17 6.26 1.01 -1.26 -5.10 121.20 119.23 2oqs s ILE 25 Ca -0.04 0.28 -0.38 0.00 0.00 0.00 0.00 60.65 60.50 2oqs s ILE 25 Cb 0.08 -0.17 -0.15 0.00 0.01 0.00 0.00 42.46 42.23 2oqs s ILE 25 CO 0.82 0.11 1.72 -2.65 0.00 0.00 0.00 174.94 174.95 2oqs n PRO 26 N 4.62 1.43 0.00 2.79 -0.02 -1.26 -1.77 135.00 140.79 2oqs n PRO 26 Ca -0.18 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2oqs n PRO 26 Cb 0.50 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 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 4.02 2.96 3.53 -1.23 0.00 -1.26 -5.00 105.19 108.21 2oqs n GLY 27 Ca 0.24 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 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 6.21 -0.08 1.61 -1.08 -0.73 -4.94 116.67 117.67 2oqs s ASP 28 Ca 0.00 -0.34 0.11 0.00 -0.52 0.00 0.00 52.55 51.81 2oqs s ASP 28 Cb 0.00 -2.22 0.46 0.00 -1.46 0.00 0.00 42.92 39.70 2oqs s ASP 28 CO 0.00 -0.45 1.31 -0.46 0.52 0.00 0.00 175.17 176.09 2oqs n ASN 29 N 5.54 3.27 -4.88 -0.34 6.94 -1.26 -3.99 115.26 120.54 2oqs n ASN 29 Ca -0.08 -2.31 -0.30 0.00 -0.02 0.00 0.00 54.58 51.87 2oqs n ASN 29 Cb 0.49 -0.47 0.01 0.00 -2.36 0.00 0.00 39.78 37.45 2oqs n ASN 29 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2oqs s SER 30 N -0.72 6.14 -0.12 0.53 0.15 -1.26 -2.36 113.70 116.06 2oqs s SER 30 Ca 0.33 1.33 -0.29 0.00 0.70 0.00 0.00 55.95 58.01 2oqs s SER 30 Cb 0.21 -2.38 -0.02 0.00 -1.71 0.00 0.00 66.02 62.12 2oqs s SER 30 CO 0.15 -0.89 1.28 -0.63 1.20 0.00 0.00 173.24 174.34 2oqs s ILE 31 N -3.15 4.20 0.08 6.45 -1.09 -1.08 -4.51 121.20 122.09 2oqs s ILE 31 Ca 0.55 1.48 0.10 0.00 -2.23 0.00 0.00 60.65 60.54 2oqs s ILE 31 Cb -0.11 -3.95 -0.03 0.00 -1.58 0.00 0.00 42.46 36.79 2oqs s ILE 31 CO 0.53 -0.09 -0.26 -0.31 -1.23 0.00 0.00 174.94 173.58 2oqs s TYR 32 N 3.12 2.26 -0.14 3.97 1.51 -0.73 0.15 117.35 127.48 2oqs s TYR 32 Ca 0.57 -0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 55.93 2oqs s TYR 32 Cb -0.24 -1.30 -0.02 0.00 -0.11 0.00 0.00 41.96 40.29 2oqs s TYR 32 CO 0.18 0.20 1.23 0.08 -1.11 0.00 0.00 175.55 176.13 2oqs s VAL 33 N -0.91 4.31 -0.15 0.71 1.01 -1.21 -0.08 120.40 124.08 2oqs s VAL 33 Ca 0.12 1.60 0.18 0.00 0.00 0.00 0.00 61.98 63.88 2oqs s VAL 33 Cb -0.10 -4.03 -0.11 0.00 0.00 0.00 0.00 36.38 32.14 2oqs s VAL 33 CO 0.03 -0.10 0.87 0.35 0.00 0.00 0.00 175.10 176.25 2oqs n THR 34 N 5.15 1.06 -3.64 3.92 -2.24 -0.88 -3.52 114.28 114.13 2oqs n THR 34 Ca 0.13 -0.66 -0.03 0.00 -2.27 0.00 0.00 64.05 61.22 2oqs n THR 34 Cb 0.45 -0.65 -0.07 0.00 -2.10 0.00 0.00 70.33 67.97 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 -3.02 0.30 -0.20 -0.78 2.20 -1.25 -4.95 119.74 112.03 2oqs s LYS 35 Ca -0.02 0.45 -0.07 0.00 -0.36 0.00 0.00 55.97 55.97 2oqs s LYS 35 Cb 0.09 0.09 -0.04 0.00 -1.51 0.00 0.00 37.83 36.47 2oqs s LYS 35 CO 0.81 -0.05 0.06 0.42 -0.36 0.00 0.00 175.35 176.22 2oqs s ILE 36 N 0.86 4.57 0.43 5.43 1.01 -1.26 0.11 121.20 132.35 2oqs s ILE 36 Ca -0.04 -0.10 -0.17 0.00 0.00 0.00 0.00 60.65 60.34 2oqs s ILE 36 Cb -0.04 -3.08 -0.09 0.00 0.01 0.00 0.00 42.46 39.26 2oqs s ILE 36 CO -0.12 0.42 0.89 -0.63 0.00 0.00 0.00 174.94 175.49 2oqs s ILE 37 N 0.80 4.56 0.52 2.92 1.09 0.26 -4.95 121.20 126.39 2oqs s ILE 37 Ca 0.03 1.15 -0.22 0.00 -1.10 0.00 0.00 60.65 60.51 2oqs s ILE 37 Cb -0.14 -3.66 -0.06 0.00 -1.06 0.00 0.00 42.46 37.55 2oqs s ILE 37 CO 0.02 -0.44 1.35 -0.70 -0.10 0.00 0.00 174.94 175.07 2oqs s GLU 38 N -3.51 3.29 -1.84 2.79 2.12 -1.26 -2.42 118.70 117.86 2oqs s GLU 38 Ca 0.58 2.21 0.00 0.00 0.36 0.00 0.00 54.97 58.11 2oqs s GLU 38 Cb -0.10 -2.33 0.00 0.00 0.26 0.00 0.00 34.13 31.96 2oqs s GLU 38 CO 0.22 -1.06 0.00 0.41 -0.54 0.00 0.00 175.26 174.29 2oqs n GLY 39 N 0.68 1.66 3.92 -1.50 0.00 -1.26 -4.97 105.19 103.72 2oqs n GLY 39 Ca 0.09 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.67 1.61 0.17 -0.02 0.00 -1.02 -4.81 107.32 100.58 2oqs s GLY 40 Ca 0.00 -0.76 -0.22 0.00 0.00 0.00 0.00 44.72 43.74 2oqs s GLY 40 CO 0.00 -0.48 1.60 0.00 0.00 0.00 0.00 173.10 174.22 2oqs h ALA 41 N -0.14 -0.13 0.08 3.20 0.00 -0.24 0.38 119.26 122.41 2oqs h ALA 41 Ca -0.45 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2oqs h ALA 41 Cb 1.26 0.69 0.00 0.00 0.00 0.00 0.00 17.79 19.74 2oqs h ALA 41 CO 0.60 -0.70 -0.04 0.00 0.00 0.00 0.00 179.25 179.11 2oqs h ALA 42 N 0.83 -0.11 -0.76 0.00 0.00 -1.89 -1.15 119.26 116.18 2oqs h ALA 42 Ca 0.18 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 55.09 2oqs h ALA 42 Cb 0.53 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.26 2oqs h ALA 42 CO -0.55 -0.41 0.28 1.25 0.00 0.00 0.00 179.25 179.82 2oqs h HIS 43 N -0.42 0.46 -0.17 0.00 6.17 -1.68 0.17 115.15 119.69 2oqs h HIS 43 Ca -0.01 0.04 -0.20 0.00 0.71 0.00 0.00 60.37 60.90 2oqs h HIS 43 Cb 0.36 -0.09 0.00 0.00 2.52 0.00 0.00 27.41 30.20 2oqs h HIS 43 CO 0.03 0.02 -0.70 0.87 0.71 0.00 0.00 177.93 178.85 2oqs h LYS 44 N 0.39 0.71 0.38 5.26 1.57 -0.23 -3.32 116.57 121.33 2oqs h LYS 44 Ca 0.43 -0.54 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 2oqs h LYS 44 Cb 0.69 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.10 2oqs h LYS 44 CO -0.44 1.16 -0.18 0.22 -0.57 0.00 0.00 179.45 179.64 2oqs h ASP 45 N 0.50 -0.43 0.00 0.86 3.58 -0.16 -3.48 116.42 117.30 2oqs h ASP 45 Ca -0.03 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.30 2oqs h ASP 45 Cb 1.31 0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.47 2oqs h ASP 45 CO 0.14 -0.09 0.00 0.61 -2.88 0.00 0.00 179.24 177.02 2oqs n GLY 46 N -0.51 3.13 0.27 -0.78 0.00 0.51 -4.91 105.19 102.91 2oqs n GLY 46 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 0.81 0.93 -5.64 1.61 1.57 -1.93 -3.42 116.57 110.51 2oqs h LYS 47 Ca 0.00 -0.20 -0.59 0.00 -1.87 0.00 0.00 60.65 57.99 2oqs h LYS 47 Cb 0.00 -0.14 -0.10 0.00 0.08 0.00 0.00 32.23 32.08 2oqs h LYS 47 CO 0.00 0.83 0.04 -1.17 -0.57 0.00 0.00 179.45 178.59 2oqs s LEU 48 N -9.65 4.16 0.02 2.94 0.20 -1.26 -5.06 118.68 110.03 2oqs s LEU 48 Ca -0.13 0.79 0.03 0.00 0.69 0.00 0.00 54.13 55.51 2oqs s LEU 48 Cb 0.13 -2.82 -0.01 0.00 -0.43 0.00 0.00 46.19 43.05 2oqs s LEU 48 CO 0.81 -0.21 -0.08 0.00 -0.29 0.00 0.00 176.35 176.57 2oqs s GLN 49 N 1.67 0.59 -0.07 1.98 0.00 -1.26 -4.65 119.66 117.92 2oqs s GLN 49 Ca 0.27 -0.51 -0.39 0.00 -0.00 0.00 0.00 55.36 54.73 2oqs s GLN 49 Cb -0.16 -0.50 -0.17 0.00 0.00 0.00 0.00 33.01 32.18 2oqs s GLN 49 CO 0.10 0.12 1.40 0.44 0.00 0.00 0.00 175.29 177.36 2oqs n ILE 50 N 2.20 0.07 0.00 3.63 -5.35 -1.26 -2.41 119.36 116.25 2oqs n ILE 50 Ca -0.17 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 2oqs n ILE 50 Cb 0.56 -0.72 0.00 0.00 -1.74 0.00 0.00 39.64 37.74 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 2.83 1.81 3.80 3.28 0.00 -1.23 -5.03 105.19 110.65 2oqs n GLY 51 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.69 5.82 0.05 1.61 1.47 -1.01 -4.91 116.67 118.01 2oqs s ASP 52 Ca 0.00 1.89 0.02 0.00 1.18 0.00 0.00 52.55 55.64 2oqs s ASP 52 Cb 0.00 -2.54 -0.04 0.00 -0.34 0.00 0.00 42.92 40.00 2oqs s ASP 52 CO 0.00 -1.14 0.06 -1.59 0.68 0.00 0.00 175.17 173.18 2oqs s LYS 53 N -3.85 2.87 -0.47 2.11 0.00 -1.25 -3.33 119.74 115.82 2oqs s LYS 53 Ca 0.65 -0.65 -0.19 0.00 0.00 0.00 0.00 55.97 55.79 2oqs s LYS 53 Cb -0.17 -2.72 0.04 0.00 0.00 0.00 0.00 37.83 34.98 2oqs s LYS 53 CO 0.33 0.59 0.56 -1.17 0.00 0.00 0.00 175.35 175.66 2oqs s LEU 54 N -2.10 4.91 -0.01 2.77 0.20 0.39 -1.10 118.68 123.72 2oqs s LEU 54 Ca 0.26 -0.78 -0.24 0.00 0.69 0.00 0.00 54.13 54.06 2oqs s LEU 54 Cb -0.12 -2.46 -0.17 0.00 -0.43 0.00 0.00 46.19 43.01 2oqs s LEU 54 CO 0.18 -0.77 1.13 0.25 -0.29 0.00 0.00 176.35 176.85 2oqs h LEU 55 N 9.46 -0.24 -7.50 -0.68 6.46 0.25 -3.28 115.31 119.77 2oqs h LEU 55 Ca -0.27 -0.27 0.08 0.00 -0.12 0.00 0.00 57.88 57.30 2oqs h LEU 55 Cb 1.10 0.06 -0.09 0.00 -0.73 0.00 0.00 40.66 41.00 2oqs h LEU 55 CO 0.90 0.20 0.33 0.00 -0.62 0.00 0.00 178.44 179.25 2oqs s ALA 56 N -4.39 -1.52 -0.25 1.25 0.00 0.88 -0.93 121.76 116.80 2oqs s ALA 56 Ca -0.14 0.22 -0.09 0.00 0.00 0.00 0.00 51.96 51.95 2oqs s ALA 56 Cb 0.02 0.74 0.11 0.00 0.00 0.00 0.00 23.12 23.98 2oqs s ALA 56 CO 0.54 -0.91 0.54 0.54 0.00 0.00 0.00 175.76 176.47 2oqs s VAL 57 N -3.59 -0.77 -0.92 0.00 0.11 0.23 0.15 120.40 115.62 2oqs s VAL 57 Ca 0.08 0.08 -0.05 0.00 -2.93 0.00 0.00 61.98 59.15 2oqs s VAL 57 Cb -0.03 -0.84 -0.03 0.00 -1.53 0.00 0.00 36.38 33.96 2oqs s VAL 57 CO -0.02 0.03 0.79 0.59 -3.33 0.00 0.00 175.10 173.16 2oqs n ASN 58 N 5.33 -6.82 0.00 3.54 4.13 -1.10 -2.60 115.26 117.74 2oqs n ASN 58 Ca -0.11 -0.51 0.00 0.00 1.68 0.00 0.00 54.58 55.64 2oqs n ASN 58 Cb 0.50 -4.75 0.00 0.00 -1.54 0.00 0.00 39.78 33.99 2oqs n ASN 58 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2oqs n ASN 59 N -2.51 0.00 -4.82 6.41 4.13 -1.26 -4.93 115.26 112.28 2oqs n ASN 59 Ca -0.06 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.82 2oqs n ASN 59 Cb 0.57 -0.32 -0.06 0.00 -1.54 0.00 0.00 39.78 38.43 2oqs n ASN 59 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2oqs s VAL 60 N -0.24 5.20 0.11 2.41 -7.23 -1.07 -5.07 120.40 114.52 2oqs s VAL 60 Ca 0.00 0.64 -0.28 0.00 -1.81 0.00 0.00 61.98 60.53 2oqs s VAL 60 Cb 0.00 -3.63 -0.06 0.00 0.56 0.00 0.00 36.38 33.25 2oqs s VAL 60 CO 0.00 0.54 0.90 0.00 -0.31 0.00 0.00 175.10 176.22 2oqs n LEU 62 N 2.56 4.95 0.03 0.00 7.94 -0.10 -4.48 117.00 127.90 2oqs n LEU 62 Ca 0.00 -2.92 -0.02 0.00 -1.11 0.00 0.00 56.01 51.96 2oqs n LEU 62 Cb 0.49 -0.62 -0.09 0.00 0.53 0.00 0.00 43.42 43.73 2oqs n LEU 62 CO 0.50 0.66 -0.29 -0.33 -1.11 0.00 0.00 177.39 176.82 2oqs h GLU 63 N 3.17 0.00 -2.08 1.96 4.39 -1.61 -2.86 114.58 117.55 2oqs h GLU 63 Ca 0.00 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.14 2oqs h GLU 63 Cb 1.73 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.98 2oqs h GLU 63 CO 0.37 0.38 -0.94 -1.91 -1.16 0.00 0.00 179.01 175.75 2oqs n GLU 64 N -2.97 1.46 -3.74 2.33 0.00 -1.26 -4.18 120.64 112.28 2oqs n GLU 64 Ca -0.10 -3.78 -0.12 0.00 0.00 0.00 0.00 57.16 53.15 2oqs n GLU 64 Cb 0.89 -1.65 -0.07 0.00 0.00 0.00 0.00 31.44 30.61 2oqs n GLU 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 2oqs s VAL 65 N -1.95 0.08 0.16 6.31 -7.23 -1.26 -5.11 120.40 111.39 2oqs s VAL 65 Ca 0.38 -0.62 -0.03 0.00 -1.81 0.00 0.00 61.98 59.90 2oqs s VAL 65 Cb 0.19 -0.90 0.04 0.00 0.56 0.00 0.00 36.38 36.28 2oqs s VAL 65 CO -0.08 -0.34 0.11 0.35 -0.31 0.00 0.00 175.10 174.83 2oqs n THR 66 N 0.66 0.00 0.06 5.32 -2.24 -1.26 -2.69 114.28 114.13 2oqs n THR 66 Ca -0.19 -0.03 -0.14 0.00 -2.27 0.00 0.00 64.05 61.42 2oqs n THR 66 Cb 0.59 -0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 68.20 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 -1.91 0.66 -0.91 4.78 2.76 -0.76 -2.87 115.15 116.89 2oqs h HIS 67 Ca -0.05 -0.35 0.15 0.00 -2.20 0.00 0.00 60.37 57.93 2oqs h HIS 67 Cb 0.15 -0.08 -0.10 0.00 1.55 0.00 0.00 27.41 28.93 2oqs h HIS 67 CO 0.00 1.17 0.51 0.93 -1.30 0.00 0.00 177.93 179.24 2oqs h GLU 68 N 0.26 0.70 -0.26 5.26 3.07 -1.92 0.20 114.58 121.88 2oqs h GLU 68 Ca -0.08 -0.04 -0.19 0.00 -0.50 0.00 0.00 59.36 58.55 2oqs h GLU 68 Cb 1.56 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 29.31 2oqs h GLU 68 CO 0.16 0.46 -0.57 0.93 -1.40 0.00 0.00 179.01 178.59 2oqs h GLU 69 N 0.72 0.81 -0.73 2.33 3.07 -1.89 0.29 114.58 119.17 2oqs h GLU 69 Ca 0.50 -0.53 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 2oqs h GLU 69 Cb 0.70 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.64 2oqs h GLU 69 CO -0.35 1.16 0.40 0.00 -1.40 0.00 0.00 179.01 178.82 2oqs h ALA 70 N 0.73 0.93 0.19 3.43 0.00 -0.89 0.54 119.26 124.20 2oqs h ALA 70 Ca 0.01 -0.11 -0.32 0.00 0.00 0.00 0.00 54.91 54.49 2oqs h ALA 70 Cb 1.17 -0.29 0.03 0.00 0.00 0.00 0.00 17.79 18.70 2oqs h ALA 70 CO 0.12 0.45 -1.37 -0.24 0.00 0.00 0.00 179.25 178.21 2oqs h VAL 71 N 1.00 1.32 -0.18 0.00 3.04 -0.65 -2.93 116.25 117.85 2oqs h VAL 71 Ca 0.26 -2.69 -0.10 0.00 -1.01 0.00 0.00 66.70 63.16 2oqs h VAL 71 Cb 0.03 2.92 -0.01 0.00 -2.01 0.00 0.00 31.29 32.22 2oqs h VAL 71 CO -0.04 0.80 -0.33 0.74 -1.01 0.00 0.00 177.57 177.74 2oqs h THR 72 N 0.18 1.28 -0.04 3.17 2.02 -0.30 -1.32 112.91 117.89 2oqs h THR 72 Ca -0.21 -1.37 -0.24 0.00 0.77 0.00 0.00 66.41 65.35 2oqs h THR 72 Cb 2.06 1.50 0.01 0.00 -1.74 0.00 0.00 68.15 69.98 2oqs h THR 72 CO 0.25 0.42 -0.95 0.00 0.37 0.00 0.00 175.52 175.62 2oqs h ALA 73 N 1.34 0.25 -0.10 6.16 0.00 -0.98 -0.56 119.26 125.37 2oqs h ALA 73 Ca 0.04 -0.67 -0.10 0.00 0.00 0.00 0.00 54.91 54.18 2oqs h ALA 73 Cb 0.74 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2oqs h ALA 73 CO 0.06 0.72 -0.38 -0.07 0.00 0.00 0.00 179.25 179.58 2oqs h LEU 74 N 0.39 0.21 0.00 0.00 -0.00 -1.42 -2.72 115.31 111.76 2oqs h LEU 74 Ca -0.10 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 2oqs h LEU 74 Cb 1.59 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 42.19 2oqs h LEU 74 CO 0.18 0.58 -0.40 0.07 -0.00 0.00 0.00 178.44 178.86 2oqs h LYS 75 N 0.17 0.00 -4.18 1.13 2.10 -1.19 -3.41 116.57 111.19 2oqs h LYS 75 Ca 0.02 0.00 -0.65 0.00 -2.00 0.00 0.00 60.65 58.02 2oqs h LYS 75 Cb 0.75 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.10 2oqs h LYS 75 CO 0.06 0.00 2.67 -1.71 -2.00 0.00 0.00 179.45 178.47 2oqs n ASN 76 N -2.70 3.40 -4.21 7.07 5.15 -0.22 -4.87 115.26 118.88 2oqs n ASN 76 Ca 0.03 -2.70 -0.18 0.00 -0.60 0.00 0.00 54.58 51.12 2oqs n ASN 76 Cb 0.51 -1.32 -0.11 0.00 -0.53 0.00 0.00 39.78 38.33 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 4.15 1.24 0.00 -0.44 -4.23 -1.26 -4.96 115.64 110.14 2oqs s THR 77 Ca 0.53 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 2oqs s THR 77 Cb 0.14 -1.34 0.00 0.00 1.34 0.00 0.00 72.50 72.64 2oqs s THR 77 CO 0.03 -0.33 0.00 -1.54 -0.54 0.00 0.00 174.62 172.24 2oqs n SER 78 N 0.86 0.00 -0.11 3.99 3.41 -1.26 -5.04 113.62 115.47 2oqs n SER 78 Ca -0.18 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.27 2oqs n SER 78 Cb 0.56 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.45 2oqs n SER 78 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2oqs n ASP 79 N -0.95 1.94 -4.44 4.04 9.92 -1.26 -4.80 116.55 121.00 2oqs n ASP 79 Ca 0.00 0.35 -0.22 0.00 -0.53 0.00 0.00 54.79 54.39 2oqs n ASP 79 Cb 0.00 -0.78 -0.10 0.00 -0.64 0.00 0.00 41.12 39.60 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 -2.73 2.03 -0.05 1.24 0.40 -1.26 -0.76 117.98 116.84 2oqs s PHE 80 Ca -0.31 -0.62 -0.02 0.00 -0.60 0.00 0.00 56.93 55.38 2oqs s PHE 80 Cb 0.08 -1.11 0.04 0.00 0.51 0.00 0.00 43.02 42.53 2oqs s PHE 80 CO 0.44 0.38 0.10 0.54 0.70 0.00 0.00 175.22 177.38 2oqs s VAL 81 N -2.90 -0.12 -0.50 -0.44 0.11 -1.10 -4.87 120.40 110.58 2oqs s VAL 81 Ca 0.29 0.29 -0.09 0.00 -2.93 0.00 0.00 61.98 59.54 2oqs s VAL 81 Cb 0.02 -0.20 0.13 0.00 -1.53 0.00 0.00 36.38 34.80 2oqs s VAL 81 CO 0.12 0.12 0.37 -0.47 -3.33 0.00 0.00 175.10 171.92 2oqs s TYR 82 N 1.66 3.45 0.00 1.54 6.14 -1.26 -2.52 117.35 126.36 2oqs s TYR 82 Ca -0.03 -1.98 -0.18 0.00 0.64 0.00 0.00 57.07 55.52 2oqs s TYR 82 Cb -0.12 -3.48 -0.06 0.00 0.42 0.00 0.00 41.96 38.72 2oqs s TYR 82 CO -0.05 -0.98 0.50 -1.17 0.64 0.00 0.00 175.55 174.49 2oqs s LEU 83 N 1.15 4.45 -0.32 6.97 0.20 -0.94 -2.73 118.68 127.47 2oqs s LEU 83 Ca 0.08 1.06 -0.02 0.00 0.69 0.00 0.00 54.13 55.93 2oqs s LEU 83 Cb -0.25 -2.75 0.06 0.00 -0.43 0.00 0.00 46.19 42.82 2oqs s LEU 83 CO -0.02 0.22 0.03 -0.54 -0.29 0.00 0.00 176.35 175.76 2oqs s LYS 84 N -0.65 2.39 -0.16 1.98 -0.14 0.41 0.28 119.74 123.85 2oqs s LYS 84 Ca 0.27 -1.33 -0.04 0.00 -1.36 0.00 0.00 55.97 53.51 2oqs s LYS 84 Cb -0.17 -3.25 -0.03 0.00 -1.68 0.00 0.00 37.83 32.69 2oqs s LYS 84 CO 0.15 -0.68 -0.02 0.08 -0.76 0.00 0.00 175.35 174.12 2oqs s VAL 85 N 1.25 4.07 0.29 3.17 1.01 0.10 0.91 120.40 131.20 2oqs s VAL 85 Ca -0.03 -0.29 -0.16 0.00 0.00 0.00 0.00 61.98 61.50 2oqs s VAL 85 Cb -0.20 -2.79 -0.09 0.00 0.00 0.00 0.00 36.38 33.30 2oqs s VAL 85 CO -0.01 0.49 0.72 0.00 0.00 0.00 0.00 175.10 176.30 2oqs s ALA 86 N 0.29 3.36 -0.18 5.51 0.00 -0.26 -3.32 121.76 127.17 2oqs s ALA 86 Ca -0.02 0.04 -0.08 0.00 0.00 0.00 0.00 51.96 51.90 2oqs s ALA 86 Cb -0.14 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 2oqs s ALA 86 CO 0.02 0.35 0.09 0.21 0.00 0.00 0.00 175.76 176.43 2oqs s LYS 87 N -2.74 3.93 0.38 0.00 2.20 -1.26 -3.85 119.74 118.41 2oqs s LYS 87 Ca 0.51 -0.28 -0.27 0.00 -0.36 0.00 0.00 55.97 55.58 2oqs s LYS 87 Cb -0.12 -3.26 -0.09 0.00 -1.51 0.00 0.00 37.83 32.85 2oqs s LYS 87 CO 0.18 0.37 1.28 -1.25 -0.36 0.00 0.00 175.35 175.58 2oqs s PRO 88 N 0.12 4.09 0.06 4.03 0.04 -1.26 -5.05 135.00 137.04 2oqs s PRO 88 Ca 0.07 2.12 0.03 0.00 0.04 0.00 0.00 61.00 63.26 2oqs s PRO 88 Cb -0.12 -2.83 -0.03 0.00 0.04 0.00 0.00 34.50 31.56 2oqs s PRO 88 CO -0.00 -0.38 -0.10 0.95 0.04 0.00 0.00 177.00 177.52 2oqs s THR 89 N -1.25 0.76 -0.14 1.26 -4.23 -1.26 -5.15 115.64 105.63 2oqs s THR 89 Ca 0.55 -1.30 -0.04 0.00 -1.18 0.00 0.00 61.69 59.72 2oqs s THR 89 Cb -0.37 -0.93 0.07 0.00 1.34 0.00 0.00 72.50 72.60 2oqs s THR 89 CO 0.48 -0.41 0.19 -0.83 -0.54 0.00 0.00 174.62 173.51 2oqs s GLY 90 N -1.88 0.03 0.14 3.99 0.00 -1.26 -5.02 107.32 103.32 2oqs s GLY 90 Ca -0.04 0.44 -0.05 0.00 0.00 0.00 0.00 44.72 45.07 2oqs s GLY 90 CO 0.00 1.89 1.33 1.48 0.00 0.00 0.00 173.10 177.81 2oqs h SER 91 N 8.34 0.58 0.00 1.64 4.64 -2.07 -3.58 113.55 123.10 2oqs h SER 91 Ca -0.15 -0.43 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 2oqs h SER 91 Cb 1.13 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2oqs h SER 91 CO 0.20 1.21 0.00 1.57 -0.87 0.00 0.00 176.83 178.94