#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xbw s THR 0 N 0.00 0.67 -1.20 3.84 -4.23 -1.26 -4.67 115.64 108.79 1xbw s THR 0 Ca 0.00 -1.99 -0.03 0.00 -1.18 0.00 0.00 61.69 58.49 1xbw s THR 0 Cb 0.00 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.49 1xbw s THR 0 CO 0.00 -0.27 1.02 0.23 -0.54 0.00 0.00 174.62 175.06 1xbw n MET 1 N -0.35 -6.77 -0.01 3.99 2.81 -1.10 -4.90 117.12 110.80 1xbw n MET 1 Ca -0.04 0.81 0.07 0.00 -1.81 0.00 0.00 57.70 56.73 1xbw n MET 1 Cb 0.64 -5.73 -0.11 0.00 -0.71 0.00 0.00 33.22 27.31 1xbw n MET 1 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1xbw n LYS 2 N -4.26 0.60 -4.10 0.03 4.76 -0.03 -4.69 118.16 110.48 1xbw n LYS 2 Ca -0.19 -0.12 -0.16 0.00 -2.87 0.00 0.00 58.31 54.97 1xbw n LYS 2 Cb 0.63 -1.34 -0.15 0.00 -1.84 0.00 0.00 35.03 32.33 1xbw n LYS 2 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1xbw s PHE 3 N -2.97 0.45 -0.01 2.13 5.36 -0.66 -0.39 117.98 121.89 1xbw s PHE 3 Ca -0.04 -0.08 0.07 0.00 -0.96 0.00 0.00 56.93 55.91 1xbw s PHE 3 Cb 0.10 -0.37 -0.02 0.00 -0.34 0.00 0.00 43.02 42.39 1xbw s PHE 3 CO 0.61 -0.06 -0.21 1.41 -1.46 0.00 0.00 175.22 175.51 1xbw s MET 4 N 0.30 1.67 0.04 10.12 -2.45 -0.57 0.68 119.30 129.09 1xbw s MET 4 Ca -0.03 -0.79 0.08 0.00 -1.25 0.00 0.00 55.69 53.70 1xbw s MET 4 Cb -0.07 -1.64 -0.03 0.00 1.25 0.00 0.00 34.83 34.34 1xbw s MET 4 CO -0.00 0.45 -0.22 0.00 1.05 0.00 0.00 175.02 176.29 1xbw s ALA 5 N -0.54 1.89 -0.08 4.11 0.00 0.13 -0.48 121.76 126.80 1xbw s ALA 5 Ca 0.08 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1xbw s ALA 5 Cb -0.08 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.67 1xbw s ALA 5 CO -0.00 0.44 -0.06 -2.00 0.00 0.00 0.00 175.76 174.13 1xbw s GLU 6 N -1.14 1.19 -0.38 0.00 2.12 0.50 0.01 118.70 121.00 1xbw s GLU 6 Ca 0.09 -0.17 -0.13 0.00 0.36 0.00 0.00 54.97 55.12 1xbw s GLU 6 Cb -0.09 -1.23 0.02 0.00 0.26 0.00 0.00 34.13 33.08 1xbw s GLU 6 CO 0.02 -0.17 0.26 -0.80 -0.54 0.00 0.00 175.26 174.02 1xbw s ASN 7 N 1.36 5.96 -0.28 -1.70 0.01 -0.44 -1.06 114.94 118.78 1xbw s ASN 7 Ca -0.03 -0.84 -0.12 0.00 -0.71 0.00 0.00 52.86 51.16 1xbw s ASN 7 Cb -0.14 -2.11 -0.05 0.00 0.41 0.00 0.00 41.25 39.37 1xbw s ASN 7 CO -0.03 -0.39 0.22 -0.60 -1.51 0.00 0.00 177.10 174.80 1xbw s ARG 8 N 1.64 3.93 -0.21 -0.60 3.52 0.13 -0.90 118.95 126.48 1xbw s ARG 8 Ca 0.04 -0.28 -0.04 0.00 -0.13 0.00 0.00 55.73 55.32 1xbw s ARG 8 Cb -0.19 -3.67 -0.02 0.00 -1.56 0.00 0.00 34.95 29.52 1xbw s ARG 8 CO 0.09 -0.21 -0.02 -0.51 -0.81 0.00 0.00 175.30 173.83 1xbw s LEU 9 N 1.81 3.10 -0.32 -0.88 1.43 0.89 -1.37 118.68 123.33 1xbw s LEU 9 Ca 0.08 -0.28 -0.13 0.00 -1.03 0.00 0.00 54.13 52.77 1xbw s LEU 9 Cb -0.16 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 1xbw s LEU 9 CO 0.11 0.03 0.28 -0.89 0.23 0.00 0.00 176.35 176.12 1xbw s THR 10 N 1.17 5.24 0.35 5.49 2.01 -0.89 -1.10 115.64 127.91 1xbw s THR 10 Ca 0.03 0.01 0.09 0.00 0.31 0.00 0.00 61.69 62.13 1xbw s THR 10 Cb -0.14 -3.72 -0.06 0.00 0.01 0.00 0.00 72.50 68.59 1xbw s THR 10 CO 0.00 0.02 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.17 1xbw s LEU 11 N 1.86 2.88 0.32 4.42 1.43 0.82 -0.27 118.68 130.13 1xbw s LEU 11 Ca 0.09 -1.10 -0.29 0.00 -1.03 0.00 0.00 54.13 51.79 1xbw s LEU 11 Cb -0.17 -1.18 -0.10 0.00 0.03 0.00 0.00 46.19 44.77 1xbw s LEU 11 CO 0.11 -0.25 1.38 -0.89 0.23 0.00 0.00 176.35 176.93 1xbw s THR 12 N -2.57 2.58 0.21 5.49 2.01 -1.02 -1.10 115.64 121.24 1xbw s THR 12 Ca 0.34 0.55 -0.32 0.00 0.31 0.00 0.00 61.69 62.57 1xbw s THR 12 Cb 0.02 -3.35 -0.12 0.00 0.01 0.00 0.00 72.50 69.05 1xbw s THR 12 CO 0.18 0.12 1.69 1.17 -0.69 0.00 0.00 174.62 177.09 1xbw n LYS 13 N 1.19 2.69 0.00 4.92 3.00 -1.26 -2.68 118.16 126.02 1xbw n LYS 13 Ca 0.02 0.97 0.00 0.00 -0.00 0.00 0.00 58.31 59.30 1xbw n LYS 13 Cb 0.41 -2.80 0.00 0.00 0.00 0.00 0.00 35.03 32.64 1xbw n LYS 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1xbw n GLY 14 N 3.66 2.90 0.48 3.14 0.00 -1.26 -4.95 105.19 109.17 1xbw n GLY 14 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.31 1xbw n GLY 14 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xbw n THR 15 N -1.29 0.00 -0.22 2.61 -2.24 -1.09 -4.52 114.28 107.53 1xbw n THR 15 Ca 0.00 -0.25 0.01 0.00 -2.27 0.00 0.00 64.05 61.54 1xbw n THR 15 Cb 0.00 0.57 0.12 0.00 -2.10 0.00 0.00 70.33 68.92 1xbw n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xbw h ALA 16 N 4.28 0.87 0.04 6.98 0.00 -1.93 -2.91 119.26 126.60 1xbw h ALA 16 Ca 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xbw h ALA 16 Cb 0.54 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1xbw h ALA 16 CO 0.00 -0.14 -0.02 -0.22 0.00 0.00 0.00 179.25 178.87 1xbw h LYS 17 N 0.48 -0.06 -0.90 0.00 3.11 -2.00 -1.49 116.57 115.72 1xbw h LYS 17 Ca 0.33 0.00 0.06 0.00 -2.81 0.00 0.00 60.65 58.23 1xbw h LYS 17 Cb 0.39 0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 31.58 1xbw h LYS 17 CO -0.30 -0.01 0.58 -0.44 -2.81 0.00 0.00 179.45 176.47 1xbw h ASP 18 N -0.08 0.91 -0.14 4.20 5.19 -1.86 -1.39 116.42 123.24 1xbw h ASP 18 Ca -0.01 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 1xbw h ASP 18 Cb 0.07 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 39.38 1xbw h ASP 18 CO 0.01 0.60 -0.04 0.40 -3.12 0.00 0.00 179.24 177.08 1xbw h ILE 19 N 1.04 1.30 -0.53 0.35 1.08 -1.35 -3.15 117.51 116.25 1xbw h ILE 19 Ca 0.38 -1.02 0.02 0.00 -0.39 0.00 0.00 64.86 63.85 1xbw h ILE 19 Cb 0.15 1.68 -0.03 0.00 -3.07 0.00 0.00 36.82 35.55 1xbw h ILE 19 CO -0.13 0.30 0.33 0.40 -0.69 0.00 0.00 178.15 178.35 1xbw h ILE 20 N -0.04 1.08 -0.12 -0.67 2.04 -0.80 -1.26 117.51 117.74 1xbw h ILE 20 Ca 0.03 -0.22 0.04 0.00 1.00 0.00 0.00 64.86 65.71 1xbw h ILE 20 Cb 0.48 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1xbw h ILE 20 CO 0.02 0.12 0.13 -0.33 0.00 0.00 0.00 178.15 178.08 1xbw h GLU 21 N 0.65 0.00 0.00 2.37 3.07 -1.30 0.12 114.58 119.49 1xbw h GLU 21 Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 1xbw h GLU 21 Cb -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1xbw h GLU 21 CO -0.08 0.00 0.00 -0.09 -1.40 0.00 0.00 179.01 177.44 1xbw h ARG 22 N 0.00 0.00 -0.37 2.33 2.43 -1.18 -2.22 114.38 115.37 1xbw h ARG 22 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1xbw h ARG 22 Cb 0.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1xbw h ARG 22 CO -0.00 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.65 1xbw n PHE 23 N -2.45 0.47 0.34 2.20 3.01 0.41 -4.14 117.46 117.30 1xbw n PHE 23 Ca -0.00 -0.24 0.15 0.00 1.01 0.00 0.00 57.45 58.37 1xbw n PHE 23 Cb 0.14 0.00 0.54 0.00 -0.01 0.00 0.00 39.48 40.15 1xbw n PHE 23 CO 0.00 0.00 0.00 1.88 1.01 0.00 0.00 176.76 179.65 1xbw h TYR 24 N 4.32 0.00 -3.49 1.38 0.05 -1.52 -3.34 116.97 114.38 1xbw h TYR 24 Ca 0.00 0.00 -0.74 0.00 0.05 0.00 0.00 58.73 58.04 1xbw h TYR 24 Cb 0.95 0.00 -0.29 0.00 1.01 0.00 0.00 36.73 38.40 1xbw h TYR 24 CO 0.24 0.00 -0.21 0.95 -1.05 0.00 0.00 178.16 178.08 1xbw s THR 25 N -3.46 4.66 -1.73 -2.88 -4.23 -1.26 -4.95 115.64 101.79 1xbw s THR 25 Ca 0.04 -2.23 0.28 0.00 -1.18 0.00 0.00 61.69 58.60 1xbw s THR 25 Cb 0.09 -3.98 0.64 0.00 1.34 0.00 0.00 72.50 70.59 1xbw s THR 25 CO 0.52 -0.89 1.97 -2.11 -0.54 0.00 0.00 174.62 173.57 1xbw n ARG 26 N 4.34 0.64 -1.75 3.99 1.85 -1.25 -4.92 116.66 119.55 1xbw n ARG 26 Ca 0.02 0.02 -0.19 0.00 -1.00 0.00 0.00 57.85 56.69 1xbw n ARG 26 Cb 0.42 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.27 1xbw n ARG 26 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1xbw n HIS 27 N -1.14 -0.23 -0.93 2.89 8.25 -1.26 -3.04 115.22 119.77 1xbw n HIS 27 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1xbw n HIS 27 Cb 0.15 -3.30 0.00 0.00 1.12 0.00 0.00 29.99 27.96 1xbw n HIS 27 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xbw n GLY 28 N -0.76 0.65 0.25 -1.41 0.00 -1.26 -4.74 105.19 97.91 1xbw n GLY 28 Ca -0.20 -0.73 0.11 0.00 0.00 0.00 0.00 46.02 45.20 1xbw n GLY 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1xbw h ILE 29 N 0.00 0.61 0.00 -0.61 2.10 -1.90 -2.24 117.51 115.48 1xbw h ILE 29 Ca 0.00 -0.70 0.00 0.00 1.08 0.00 0.00 64.86 65.24 1xbw h ILE 29 Cb 0.22 1.45 0.00 0.00 -1.09 0.00 0.00 36.82 37.40 1xbw h ILE 29 CO 0.00 0.15 0.00 -0.62 -1.08 0.00 0.00 178.15 176.60 1xbw n GLU 30 N -3.62 0.08 0.00 2.19 4.71 -1.26 -2.44 120.64 120.29 1xbw n GLU 30 Ca -0.01 0.28 0.15 0.00 -0.01 0.00 0.00 57.16 57.57 1xbw n GLU 30 Cb 0.29 -1.64 0.83 0.00 -1.01 0.00 0.00 31.44 29.91 1xbw n GLU 30 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1xbw n THR 31 N -1.79 0.00 -0.14 2.62 -2.24 -0.84 -4.96 114.28 106.94 1xbw n THR 31 Ca 0.03 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1xbw n THR 31 Cb 0.22 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 1xbw n THR 31 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1xbw n LEU 32 N -0.87 0.00 0.00 3.22 4.77 -1.02 -5.07 117.00 118.03 1xbw n LEU 32 Ca 0.21 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1xbw n LEU 32 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1xbw n LEU 32 CO 0.19 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1xbw n GLY 34 N 5.00 0.00 3.72 -0.72 0.00 -1.26 -4.89 105.19 107.04 1xbw n GLY 34 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1xbw n GLY 34 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xbw s PHE 35 N 0.00 3.59 -0.03 1.61 5.36 -1.26 -1.54 117.98 125.71 1xbw s PHE 35 Ca 0.00 1.31 0.09 0.00 -0.96 0.00 0.00 56.93 57.37 1xbw s PHE 35 Cb 0.00 -2.84 -0.13 0.00 -0.34 0.00 0.00 43.02 39.71 1xbw s PHE 35 CO 0.00 0.09 0.20 -0.25 -1.46 0.00 0.00 175.22 173.79 1xbw n ASP 36 N 3.75 2.91 0.00 6.13 8.00 -0.04 -4.96 116.55 132.34 1xbw n ASP 36 Ca -0.00 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1xbw n ASP 36 Cb 0.51 1.37 0.00 0.00 -0.02 0.00 0.00 41.12 42.98 1xbw n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xbw n GLY 37 N 1.97 0.79 3.33 0.44 0.00 -1.17 -4.96 105.19 105.58 1xbw n GLY 37 Ca -0.01 -1.14 -0.15 0.00 0.00 0.00 0.00 46.02 44.72 1xbw n GLY 37 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1xbw s MET 38 N -2.00 0.77 -0.02 1.61 0.23 -1.26 -1.38 119.30 117.25 1xbw s MET 38 Ca 0.00 -0.01 0.02 0.00 -1.03 0.00 0.00 55.69 54.67 1xbw s MET 38 Cb 0.00 0.35 0.01 0.00 -1.53 0.00 0.00 34.83 33.66 1xbw s MET 38 CO 0.00 -0.22 -0.07 -0.06 -2.03 0.00 0.00 175.02 172.64 1xbw s PHE 39 N -1.19 0.82 -0.20 3.16 0.08 0.38 -4.98 117.98 116.05 1xbw s PHE 39 Ca -0.12 -0.20 0.01 0.00 0.12 0.00 0.00 56.93 56.75 1xbw s PHE 39 Cb -0.04 -0.60 0.03 0.00 -0.57 0.00 0.00 43.02 41.85 1xbw s PHE 39 CO 0.06 -0.10 -0.15 0.08 -0.10 0.00 0.00 175.22 175.01 1xbw s VAL 40 N 0.26 1.96 0.37 -0.44 1.01 -1.26 0.22 120.40 122.52 1xbw s VAL 40 Ca -0.04 -1.10 0.09 0.00 0.00 0.00 0.00 61.98 60.93 1xbw s VAL 40 Cb -0.08 -1.90 -0.07 0.00 0.00 0.00 0.00 36.38 34.33 1xbw s VAL 40 CO 0.00 0.32 -0.05 0.42 0.00 0.00 0.00 175.10 175.79 1xbw s THR 41 N 1.28 2.17 -0.09 3.92 -4.23 -0.63 -4.97 115.64 113.09 1xbw s THR 41 Ca 0.00 -2.12 0.01 0.00 -1.18 0.00 0.00 61.69 58.40 1xbw s THR 41 Cb -0.15 -2.78 0.02 0.00 1.34 0.00 0.00 72.50 70.92 1xbw s THR 41 CO -0.10 -0.13 -0.09 -1.58 -0.54 0.00 0.00 174.62 172.19 1xbw s GLN 42 N -3.65 1.52 0.16 3.99 0.74 -1.26 -2.30 119.66 118.86 1xbw s GLN 42 Ca 0.34 -0.30 -0.31 0.00 0.05 0.00 0.00 55.36 55.14 1xbw s GLN 42 Cb 0.05 -1.44 -0.09 0.00 1.10 0.00 0.00 33.01 32.64 1xbw s GLN 42 CO 0.17 -0.13 1.42 0.99 -0.55 0.00 0.00 175.29 177.19 1xbw s THR 43 N 1.22 3.04 0.50 -0.34 2.01 -0.80 -5.00 115.64 116.28 1xbw s THR 43 Ca -0.04 0.79 -0.06 0.00 0.31 0.00 0.00 61.69 62.69 1xbw s THR 43 Cb -0.14 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 1xbw s THR 43 CO -0.03 0.08 0.82 -0.76 -0.69 0.00 0.00 174.62 174.04 1xbw s LEU 44 N 0.60 3.55 -1.42 4.42 1.43 -1.26 -4.32 118.68 121.69 1xbw s LEU 44 Ca 0.63 0.92 -0.03 0.00 -1.03 0.00 0.00 54.13 54.63 1xbw s LEU 44 Cb -0.39 -3.87 0.00 0.00 0.03 0.00 0.00 46.19 41.97 1xbw s LEU 44 CO 0.34 -0.66 0.37 -0.62 0.23 0.00 0.00 176.35 176.01 1xbw n GLU 45 N -2.33 -3.39 -3.68 1.70 1.02 -1.26 -5.00 120.64 107.70 1xbw n GLU 45 Ca 0.01 0.82 -0.35 0.00 -0.02 0.00 0.00 57.16 57.62 1xbw n GLU 45 Cb 0.55 -5.40 -0.08 0.00 -0.02 0.00 0.00 31.44 26.50 1xbw n GLU 45 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1xbw s GLN 46 N -5.34 4.20 -0.22 3.49 -1.52 -1.26 -4.98 119.66 114.02 1xbw s GLN 46 Ca 0.18 -0.14 0.02 0.00 -1.95 0.00 0.00 55.36 53.47 1xbw s GLN 46 Cb -0.08 -3.42 -0.15 0.00 -0.22 0.00 0.00 33.01 29.15 1xbw s GLN 46 CO 0.22 0.29 -0.20 0.39 -0.25 0.00 0.00 175.29 175.75 1xbw n GLU 47 N 3.51 0.56 -0.00 2.91 -0.58 -1.26 -4.77 120.64 121.01 1xbw n GLU 47 Ca -0.15 0.13 -0.14 0.00 -0.42 0.00 0.00 57.16 56.58 1xbw n GLU 47 Cb 0.52 -1.45 -0.14 0.00 -0.57 0.00 0.00 31.44 29.80 1xbw n GLU 47 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1xbw h ASP 48 N -0.01 0.20 -5.18 1.62 3.32 -1.99 -3.48 116.42 110.89 1xbw h ASP 48 Ca -0.50 -0.43 -0.10 0.00 0.02 0.00 0.00 57.03 56.02 1xbw h ASP 48 Cb 1.77 -0.07 -0.15 0.00 0.22 0.00 0.00 39.33 41.11 1xbw h ASP 48 CO -0.08 1.38 -0.50 -0.36 -1.72 0.00 0.00 179.24 177.97 1xbw s PHE 49 N -2.59 0.29 0.06 4.55 0.08 -1.26 -4.28 117.98 114.84 1xbw s PHE 49 Ca -0.12 -0.76 0.01 0.00 0.12 0.00 0.00 56.93 56.18 1xbw s PHE 49 Cb 0.07 -0.19 -0.04 0.00 -0.57 0.00 0.00 43.02 42.30 1xbw s PHE 49 CO 0.81 -0.47 0.17 -0.51 -0.10 0.00 0.00 175.22 175.11 1xbw s ASP 50 N -2.83 6.10 -0.09 1.36 1.01 -0.26 -4.77 116.67 117.18 1xbw s ASP 50 Ca 0.05 0.19 -0.00 0.00 0.71 0.00 0.00 52.55 53.49 1xbw s ASP 50 Cb 0.06 -1.81 0.02 0.00 1.01 0.00 0.00 42.92 42.20 1xbw s ASP 50 CO -0.10 0.17 -0.06 -0.70 0.21 0.00 0.00 175.17 174.70 1xbw s GLU 51 N -2.45 1.24 -0.11 8.23 2.12 -1.26 -0.13 118.70 126.35 1xbw s GLU 51 Ca 0.33 -0.16 0.02 0.00 0.36 0.00 0.00 54.97 55.52 1xbw s GLU 51 Cb -0.13 -1.36 -0.01 0.00 0.26 0.00 0.00 34.13 32.90 1xbw s GLU 51 CO 0.26 -0.24 -0.19 0.08 -0.54 0.00 0.00 175.26 174.63 1xbw s VAL 52 N 1.64 2.51 -0.11 3.70 1.01 -0.26 -1.90 120.40 126.99 1xbw s VAL 52 Ca 0.02 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1xbw s VAL 52 Cb -0.13 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 1xbw s VAL 52 CO -0.06 0.54 -0.16 -0.54 0.00 0.00 0.00 175.10 174.88 1xbw s LYS 53 N 0.35 3.22 -0.43 2.72 1.02 -0.97 -0.08 119.74 125.56 1xbw s LYS 53 Ca -0.15 -0.74 -0.10 0.00 0.02 0.00 0.00 55.97 55.00 1xbw s LYS 53 Cb -0.17 -2.52 0.09 0.00 -0.52 0.00 0.00 37.83 34.71 1xbw s LYS 53 CO 0.07 0.24 0.29 0.42 -0.92 0.00 0.00 175.35 175.45 1xbw s ILE 54 N 0.25 4.30 -0.23 2.17 1.09 -0.08 -1.61 121.20 127.10 1xbw s ILE 54 Ca -0.11 -1.46 -0.13 0.00 -1.10 0.00 0.00 60.65 57.85 1xbw s ILE 54 Cb -0.16 -3.67 -0.05 0.00 -1.06 0.00 0.00 42.46 37.53 1xbw s ILE 54 CO 0.06 -0.57 0.26 -0.76 -0.10 0.00 0.00 174.94 173.82 1xbw s LEU 55 N 1.43 4.13 -0.06 2.97 1.43 0.13 -1.33 118.68 127.37 1xbw s LEU 55 Ca 0.04 0.27 0.05 0.00 -1.03 0.00 0.00 54.13 53.46 1xbw s LEU 55 Cb -0.24 -2.27 -0.01 0.00 0.03 0.00 0.00 46.19 43.70 1xbw s LEU 55 CO 0.02 0.01 -0.22 0.42 0.23 0.00 0.00 176.35 176.81 1xbw s THR 56 N 1.18 2.35 -0.13 5.49 -4.23 0.10 -0.47 115.64 119.94 1xbw s THR 56 Ca 0.12 -0.96 -0.02 0.00 -1.18 0.00 0.00 61.69 59.65 1xbw s THR 56 Cb -0.14 -1.88 -0.03 0.00 1.34 0.00 0.00 72.50 71.79 1xbw s THR 56 CO 0.06 0.57 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.96 1xbw s VAL 57 N -0.23 3.71 0.32 2.29 1.01 -0.48 0.19 120.40 127.21 1xbw s VAL 57 Ca -0.01 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1xbw s VAL 57 Cb -0.13 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 1xbw s VAL 57 CO 0.03 0.53 0.08 0.26 0.00 0.00 0.00 175.10 176.00 1xbw s TRP 58 N 0.06 1.80 -0.94 5.22 0.52 0.22 -0.86 118.94 124.95 1xbw s TRP 58 Ca -0.01 -1.09 0.25 0.00 0.02 0.00 0.00 56.10 55.27 1xbw s TRP 58 Cb -0.14 -1.13 0.51 0.00 -1.15 0.00 0.00 33.47 31.56 1xbw s TRP 58 CO 0.03 -0.16 1.42 0.36 0.02 0.00 0.00 176.95 178.62 1xbw n LYS 59 N -0.64 0.05 -3.50 4.98 2.85 -0.59 -0.85 118.16 120.46 1xbw n LYS 59 Ca -0.02 0.01 -0.09 0.00 -1.05 0.00 0.00 58.31 57.17 1xbw n LYS 59 Cb 0.66 -1.53 -0.02 0.00 -0.65 0.00 0.00 35.03 33.49 1xbw n LYS 59 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1xbw s SER 60 N -3.18 -0.37 0.29 -5.58 1.04 -1.26 -4.35 113.70 100.29 1xbw s SER 60 Ca 0.10 0.00 -0.01 0.00 0.48 0.00 0.00 55.95 56.53 1xbw s SER 60 Cb 0.17 0.39 0.45 0.00 0.10 0.00 0.00 66.02 67.13 1xbw s SER 60 CO 0.70 -0.63 1.88 0.50 0.98 0.00 0.00 173.24 176.67 1xbw h LYS 61 N 2.01 0.88 -0.25 4.02 3.64 -1.92 -2.43 116.57 122.52 1xbw h LYS 61 Ca -0.23 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 58.99 1xbw h LYS 61 Cb 1.24 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1xbw h LYS 61 CO 0.31 0.71 -0.01 0.37 -2.27 0.00 0.00 179.45 178.56 1xbw h GLN 62 N 0.88 0.37 -0.93 1.90 4.15 -1.98 0.63 115.11 120.12 1xbw h GLN 62 Ca 0.21 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.57 1xbw h GLN 62 Cb 0.14 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 27.73 1xbw h GLN 62 CO -0.02 0.40 0.58 0.00 -1.93 0.00 0.00 178.83 177.87 1xbw h ALA 63 N 1.64 1.28 -0.01 3.38 0.00 -1.80 0.12 119.26 123.87 1xbw h ALA 63 Ca 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xbw h ALA 63 Cb 0.26 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1xbw h ALA 63 CO 0.01 0.64 -0.03 0.35 0.00 0.00 0.00 179.25 180.22 1xbw h PHE 64 N 1.28 0.04 -0.45 0.00 3.57 -1.30 -2.45 116.94 117.63 1xbw h PHE 64 Ca 0.34 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 1xbw h PHE 64 Cb -0.09 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 1xbw h PHE 64 CO 0.00 0.65 0.22 1.79 -2.23 0.00 0.00 178.31 178.74 1xbw h THR 65 N -0.57 1.15 -0.42 4.41 1.35 -0.66 -0.89 112.91 117.28 1xbw h THR 65 Ca -0.00 -0.42 -0.12 0.00 -0.55 0.00 0.00 66.41 65.31 1xbw h THR 65 Cb 0.65 0.57 -0.01 0.00 -1.73 0.00 0.00 68.15 67.62 1xbw h THR 65 CO 0.01 0.18 -0.22 0.44 -0.25 0.00 0.00 175.52 175.67 1xbw h ASP 66 N 0.63 0.87 -0.85 5.36 5.19 -0.81 -2.84 116.42 123.97 1xbw h ASP 66 Ca 0.16 -0.32 -0.01 0.00 -0.62 0.00 0.00 57.03 56.25 1xbw h ASP 66 Cb 0.06 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 39.29 1xbw h ASP 66 CO -0.02 1.06 0.51 -0.25 -3.12 0.00 0.00 179.24 177.41 1xbw h TRP 67 N 0.74 1.13 -0.41 4.55 7.01 -0.74 -0.82 115.95 127.40 1xbw h TRP 67 Ca 0.10 -0.00 0.12 0.00 2.11 0.00 0.00 58.89 61.21 1xbw h TRP 67 Cb 0.76 -0.37 -0.02 0.00 -2.10 0.00 0.00 29.16 27.43 1xbw h TRP 67 CO 0.04 0.76 0.31 -0.07 -2.79 0.00 0.00 178.44 176.69 1xbw h LEU 68 N 1.18 0.00 -1.75 0.65 4.07 -0.97 0.20 115.31 118.68 1xbw h LEU 68 Ca 0.31 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.27 1xbw h LEU 68 Cb -0.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.70 1xbw h LEU 68 CO -0.06 0.00 0.00 0.29 -1.08 0.00 0.00 178.44 177.59 1xbw n LYS 69 N -4.34 2.14 -2.56 1.13 5.02 -0.35 -4.87 118.16 114.32 1xbw n LYS 69 Ca 0.07 -1.72 -0.23 0.00 -2.02 0.00 0.00 58.31 54.40 1xbw n LYS 69 Cb 0.50 -1.45 0.04 0.00 -0.02 0.00 0.00 35.03 34.10 1xbw n LYS 69 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1xbw s SER 70 N -1.45 5.31 0.21 4.39 1.04 0.06 -5.00 113.70 118.25 1xbw s SER 70 Ca 0.35 0.25 0.09 0.00 0.48 0.00 0.00 55.95 57.12 1xbw s SER 70 Cb 0.20 -1.16 0.11 0.00 0.10 0.00 0.00 66.02 65.27 1xbw s SER 70 CO 0.28 -1.16 1.47 0.44 0.98 0.00 0.00 173.24 175.24 1xbw h ASP 71 N -0.06 0.00 0.46 7.02 3.45 -1.93 -2.99 116.42 122.37 1xbw h ASP 71 Ca -0.44 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 56.93 1xbw h ASP 71 Cb 1.29 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.04 1xbw h ASP 71 CO 0.56 0.78 -0.44 -0.37 -1.57 0.00 0.00 179.24 178.20 1xbw h VAL 72 N 0.00 1.29 -0.16 -1.35 -1.51 -1.90 -1.74 116.25 110.90 1xbw h VAL 72 Ca -0.01 -1.53 -0.03 0.00 -1.23 0.00 0.00 66.70 63.90 1xbw h VAL 72 Cb 1.39 1.83 -0.01 0.00 -2.13 0.00 0.00 31.29 32.38 1xbw h VAL 72 CO 0.10 0.43 -0.03 0.15 -1.23 0.00 0.00 177.57 177.00 1xbw h PHE 73 N 0.00 0.33 -0.44 5.19 3.57 -1.72 -2.36 116.94 121.51 1xbw h PHE 73 Ca -0.00 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.47 1xbw h PHE 73 Cb 0.79 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 1xbw h PHE 73 CO 0.00 0.56 0.21 0.87 -2.23 0.00 0.00 178.31 177.71 1xbw h LYS 74 N 0.01 0.40 -0.56 1.11 1.57 -1.35 -0.12 116.57 117.64 1xbw h LYS 74 Ca 0.04 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1xbw h LYS 74 Cb 0.44 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1xbw h LYS 74 CO 0.01 0.27 0.16 0.00 -0.57 0.00 0.00 179.45 179.32 1xbw h ALA 75 N 1.25 1.24 -0.01 3.86 0.00 -1.31 0.17 119.26 124.46 1xbw h ALA 75 Ca 0.19 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1xbw h ALA 75 Cb 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1xbw h ALA 75 CO -0.15 0.53 -0.85 0.00 0.00 0.00 0.00 179.25 178.78 1xbw h ALA 76 N 1.37 0.52 -0.00 0.00 0.00 -1.02 -1.14 119.26 118.99 1xbw h ALA 76 Ca 0.18 -0.69 -0.16 0.00 0.00 0.00 0.00 54.91 54.25 1xbw h ALA 76 Cb 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1xbw h ALA 76 CO -0.01 0.86 -0.73 1.25 0.00 0.00 0.00 179.25 180.62 1xbw h HIS 77 N 0.16 0.04 0.00 0.00 6.17 -0.75 -2.97 115.15 117.79 1xbw h HIS 77 Ca -0.05 -0.02 -0.16 0.00 0.71 0.00 0.00 60.37 60.86 1xbw h HIS 77 Cb 1.46 -0.00 -0.02 0.00 2.52 0.00 0.00 27.41 31.36 1xbw h HIS 77 CO 0.04 0.75 -0.94 -0.22 0.71 0.00 0.00 177.93 178.26 1xbw h LYS 78 N 0.02 0.00 -0.32 5.26 3.64 -0.93 -3.31 116.57 120.93 1xbw h LYS 78 Ca -0.01 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.21 1xbw h LYS 78 Cb 1.29 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 1xbw h LYS 78 CO 0.10 0.56 -0.43 1.25 -2.27 0.00 0.00 179.45 178.66 1xbw h HIS 79 N 0.00 0.99 -2.58 1.91 2.76 -1.15 -3.51 115.15 113.57 1xbw h HIS 79 Ca -0.07 -0.31 -0.49 0.00 -2.20 0.00 0.00 60.37 57.31 1xbw h HIS 79 Cb 1.57 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 30.32 1xbw h HIS 79 CO 0.00 1.10 -0.33 0.54 -1.30 0.00 0.00 177.93 177.94 1xbw s VAL 80 N -4.29 5.20 0.00 5.26 0.11 -1.13 -5.10 120.40 120.45 1xbw s VAL 80 Ca -0.10 -0.64 0.00 0.00 -2.93 0.00 0.00 61.98 58.31 1xbw s VAL 80 Cb 0.11 -3.82 0.00 0.00 -1.53 0.00 0.00 36.38 31.14 1xbw s VAL 80 CO 0.87 -0.35 0.00 -2.65 -3.33 0.00 0.00 175.10 169.63 1xbw n PRO 90 N -1.30 0.00 -1.92 1.54 -0.02 -1.26 -4.88 135.00 127.16 1xbw n PRO 90 Ca -0.06 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.01 1xbw n PRO 90 Cb 0.56 -0.02 -0.03 0.00 -0.02 0.00 0.00 33.50 33.99 1xbw n PRO 90 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1xbw s ILE 91 N 0.00 3.33 -0.10 4.25 1.01 -1.26 -2.44 121.20 125.99 1xbw s ILE 91 Ca 0.00 0.28 -0.26 0.00 0.00 0.00 0.00 60.65 60.67 1xbw s ILE 91 Cb 0.00 -3.61 -0.27 0.00 0.01 0.00 0.00 42.46 38.59 1xbw s ILE 91 CO 0.00 -0.50 0.85 0.40 0.00 0.00 0.00 174.94 175.69 1xbw h ILE 92 N 6.99 1.68 -3.02 2.92 2.04 -0.99 -3.47 117.51 123.66 1xbw h ILE 92 Ca -0.30 -2.31 -0.42 0.00 1.00 0.00 0.00 64.86 62.84 1xbw h ILE 92 Cb 1.19 3.23 -0.14 0.00 -0.74 0.00 0.00 36.82 40.35 1xbw h ILE 92 CO 1.11 0.62 -0.72 0.20 0.00 0.00 0.00 178.15 179.36 1xbw s ASN 93 N -6.41 2.34 -0.25 1.72 0.01 -0.92 -4.99 114.94 106.45 1xbw s ASN 93 Ca -0.17 -1.04 -0.03 0.00 -0.71 0.00 0.00 52.86 50.91 1xbw s ASN 93 Cb -0.01 -0.10 0.14 0.00 0.41 0.00 0.00 41.25 41.69 1xbw s ASN 93 CO 0.73 -0.24 0.42 0.21 -1.51 0.00 0.00 177.10 176.71 1xbw s ASN 94 N -3.29 -0.10 0.06 -1.22 3.84 -1.26 -2.09 114.94 110.89 1xbw s ASN 94 Ca 0.22 0.45 0.07 0.00 0.21 0.00 0.00 52.86 53.80 1xbw s ASN 94 Cb 0.01 1.33 -0.03 0.00 -0.55 0.00 0.00 41.25 42.01 1xbw s ASN 94 CO 0.06 -0.28 -0.19 -0.75 -2.79 0.00 0.00 177.10 173.14 1xbw s LYS 95 N 2.61 1.15 -0.08 0.43 2.20 -0.47 -4.97 119.74 120.61 1xbw s LYS 95 Ca 0.12 -0.98 0.03 0.00 -0.36 0.00 0.00 55.97 54.79 1xbw s LYS 95 Cb -0.15 -1.29 -0.02 0.00 -1.51 0.00 0.00 37.83 34.87 1xbw s LYS 95 CO -0.16 0.31 -0.18 0.08 -0.36 0.00 0.00 175.35 175.04 1xbw s VAL 96 N -0.97 2.65 0.05 4.02 1.01 -1.26 0.22 120.40 126.11 1xbw s VAL 96 Ca 0.05 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.23 1xbw s VAL 96 Cb -0.09 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 1xbw s VAL 96 CO 0.03 0.56 -0.11 -0.63 0.00 0.00 0.00 175.10 174.94 1xbw s ILE 97 N -0.17 0.88 0.16 2.22 1.09 -0.23 -5.00 121.20 120.15 1xbw s ILE 97 Ca -0.02 -1.06 0.07 0.00 -1.10 0.00 0.00 60.65 58.54 1xbw s ILE 97 Cb -0.14 -0.85 -0.04 0.00 -1.06 0.00 0.00 42.46 40.37 1xbw s ILE 97 CO 0.03 -0.18 -0.14 0.42 -0.10 0.00 0.00 174.94 174.97 1xbw s THR 98 N -1.09 1.51 0.07 2.92 -4.23 -1.26 -0.37 115.64 113.19 1xbw s THR 98 Ca -0.03 -1.97 -0.10 0.00 -1.18 0.00 0.00 61.69 58.41 1xbw s THR 98 Cb -0.09 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 71.96 1xbw s THR 98 CO 0.01 -0.52 0.21 -0.31 -0.54 0.00 0.00 174.62 173.48 1xbw s TYR 99 N -2.60 0.08 -0.24 3.99 2.02 0.37 -5.00 117.35 115.97 1xbw s TYR 99 Ca 0.16 -0.40 -0.12 0.00 -0.37 0.00 0.00 57.07 56.33 1xbw s TYR 99 Cb -0.02 -0.02 -0.05 0.00 -0.40 0.00 0.00 41.96 41.47 1xbw s TYR 99 CO 0.04 -0.51 0.23 -0.51 -1.57 0.00 0.00 175.55 173.24 1xbw s ASP 100 N -2.52 6.19 -0.43 2.29 1.01 -1.26 -1.51 116.67 120.44 1xbw s ASP 100 Ca 0.01 0.21 -0.25 0.00 0.71 0.00 0.00 52.55 53.22 1xbw s ASP 100 Cb 0.02 -2.14 0.02 0.00 1.01 0.00 0.00 42.92 41.83 1xbw s ASP 100 CO -0.08 0.01 0.87 -0.63 0.21 0.00 0.00 175.17 175.54 1xbw s ILE 101 N 1.25 4.57 -1.23 0.77 1.01 0.47 -4.86 121.20 123.19 1xbw s ILE 101 Ca 0.11 0.75 0.26 0.00 0.00 0.00 0.00 60.65 61.76 1xbw s ILE 101 Cb -0.14 -4.36 0.12 0.00 0.01 0.00 0.00 42.46 38.09 1xbw s ILE 101 CO 0.06 -0.70 1.53 0.61 0.00 0.00 0.00 174.94 176.44 1xbw n GLY 102 N 4.81 -1.10 3.64 6.18 0.00 -1.26 -4.68 105.19 112.79 1xbw n GLY 102 Ca 0.05 -0.33 -0.04 0.00 0.00 0.00 0.00 46.02 45.70 1xbw n GLY 102 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xbw s TYR 103 N -2.84 -0.52 -0.01 1.61 5.04 -1.26 -5.17 117.35 114.20 1xbw s TYR 103 Ca 0.16 1.08 -0.03 0.00 -2.44 0.00 0.00 57.07 55.83 1xbw s TYR 103 Cb 0.18 0.34 0.00 0.00 0.35 0.00 0.00 41.96 42.84 1xbw s TYR 103 CO 0.62 -0.25 0.07 -1.54 -1.34 0.00 0.00 175.55 173.11 1xbw s SER 104 N 1.04 0.00 -0.30 4.32 1.04 -1.26 -5.12 113.70 113.41 1xbw s SER 104 Ca -0.06 -0.05 -0.02 0.00 0.48 0.00 0.00 55.95 56.30 1xbw s SER 104 Cb -0.04 0.16 0.12 0.00 0.10 0.00 0.00 66.02 66.36 1xbw s SER 104 CO -0.13 -0.15 0.19 -0.47 0.98 0.00 0.00 173.24 173.66 1xbw s TYR 105 N -0.55 0.18 -0.31 5.02 6.14 -1.26 -5.11 117.35 121.46 1xbw s TYR 105 Ca -0.06 -0.84 -0.12 0.00 0.64 0.00 0.00 57.07 56.69 1xbw s TYR 105 Cb -0.04 -0.78 -0.03 0.00 0.42 0.00 0.00 41.96 41.53 1xbw s TYR 105 CO 0.00 -0.86 0.20 -1.64 0.64 0.00 0.00 175.55 173.90 1xbw s MET 106 N 1.96 3.64 0.00 4.97 -1.94 -1.26 -5.33 119.30 121.34 1xbw s MET 106 Ca 0.11 -0.53 0.27 0.00 -1.71 0.00 0.00 55.69 53.83 1xbw s MET 106 Cb -0.17 -3.70 0.84 0.00 2.01 0.00 0.00 34.83 33.81 1xbw s MET 106 CO -0.28 -0.34 1.62 0.36 -0.01 0.00 0.00 175.02 176.37