#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsb h PRO 2 N 0.00 0.00 -5.83 1.61 0.13 -2.09 -3.43 132.00 122.40 1xsb h PRO 2 Ca 0.00 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.55 1xsb h PRO 2 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 1xsb h PRO 2 CO 0.00 0.59 -0.16 -0.51 -0.23 0.00 0.00 178.00 177.69 1xsb s LEU 3 N -7.53 4.34 0.32 1.56 1.43 -1.26 -4.96 118.68 112.58 1xsb s LEU 3 Ca -0.01 0.87 0.01 0.00 -1.03 0.00 0.00 54.13 53.97 1xsb s LEU 3 Cb 0.12 -2.66 0.54 0.00 0.03 0.00 0.00 46.19 44.22 1xsb s LEU 3 CO 0.75 0.11 1.92 1.23 0.23 0.00 0.00 176.35 180.59 1xsb h GLY 4 N 6.06 0.85 -2.33 -3.19 0.00 -2.07 -3.42 103.07 98.96 1xsb h GLY 4 Ca -0.44 -0.40 -0.52 0.00 0.00 0.00 0.00 47.33 45.97 1xsb h GLY 4 CO 0.71 0.38 0.48 -0.56 0.00 0.00 0.00 176.54 177.56 1xsb s SER 5 N -6.55 5.57 0.00 0.19 0.01 -1.26 -5.01 113.70 106.66 1xsb s SER 5 Ca -0.10 2.36 0.00 0.00 1.31 0.00 0.00 55.95 59.52 1xsb s SER 5 Cb 0.17 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1xsb s SER 5 CO 0.78 -1.33 0.00 1.15 0.41 0.00 0.00 173.24 174.25 1xsb n MET 6 N -1.18 0.00 -1.03 12.44 0.00 -1.26 -4.85 117.12 121.25 1xsb n MET 6 Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 57.70 57.92 1xsb n MET 6 Cb 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.67 1xsb n MET 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xsb n ALA 7 N -0.14 -3.01 -2.87 3.17 0.00 -1.26 -4.77 120.51 111.62 1xsb n ALA 7 Ca 0.00 0.39 -0.36 0.00 0.00 0.00 0.00 53.44 53.46 1xsb n ALA 7 Cb 0.00 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.36 1xsb n ALA 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xsb s LEU 8 N -5.32 4.39 0.02 0.00 1.02 -0.44 -4.97 118.68 113.38 1xsb s LEU 8 Ca 0.00 0.47 -0.24 0.00 0.02 0.00 0.00 54.13 54.38 1xsb s LEU 8 Cb 0.00 -2.16 -0.05 0.00 0.02 0.00 0.00 46.19 43.99 1xsb s LEU 8 CO 0.00 0.39 0.73 -0.60 0.02 0.00 0.00 176.35 176.89 1xsb s ARG 9 N -1.16 4.46 0.05 1.70 3.52 -1.26 -1.99 118.95 124.26 1xsb s ARG 9 Ca 0.17 0.99 -0.05 0.00 -0.13 0.00 0.00 55.73 56.71 1xsb s ARG 9 Cb -0.12 -3.37 -0.02 0.00 -1.56 0.00 0.00 34.95 29.88 1xsb s ARG 9 CO 0.06 0.27 0.08 0.00 -0.81 0.00 0.00 175.30 174.89 1xsb s ALA 10 N 0.04 0.07 -0.14 6.12 0.00 -0.40 -3.71 121.76 123.75 1xsb s ALA 10 Ca 0.37 -0.76 -0.06 0.00 0.00 0.00 0.00 51.96 51.51 1xsb s ALA 10 Cb -0.20 0.31 0.06 0.00 0.00 0.00 0.00 23.12 23.29 1xsb s ALA 10 CO 0.21 -0.37 0.31 0.00 0.00 0.00 0.00 175.76 175.91 1xsb s GLY 12 N 2.03 2.91 -0.17 0.00 0.00 -1.06 -2.85 107.32 108.20 1xsb s GLY 12 Ca -0.03 -0.65 0.01 0.00 0.00 0.00 0.00 44.72 44.04 1xsb s GLY 12 CO -0.10 -2.12 -0.13 1.08 0.00 0.00 0.00 173.10 171.84 1xsb s LEU 13 N -3.81 1.89 -0.52 0.66 1.43 -0.93 -3.97 118.68 113.43 1xsb s LEU 13 Ca 0.11 -0.62 -0.25 0.00 -1.03 0.00 0.00 54.13 52.34 1xsb s LEU 13 Cb 0.02 -1.21 0.04 0.00 0.03 0.00 0.00 46.19 45.07 1xsb s LEU 13 CO 0.06 -0.08 0.94 -0.63 0.23 0.00 0.00 176.35 176.87 1xsb s ILE 14 N 1.45 4.41 -0.07 -0.59 1.01 -0.66 -4.19 121.20 122.56 1xsb s ILE 14 Ca 0.03 0.47 -0.10 0.00 0.00 0.00 0.00 60.65 61.04 1xsb s ILE 14 Cb -0.14 -4.51 -0.05 0.00 0.01 0.00 0.00 42.46 37.78 1xsb s ILE 14 CO -0.10 -1.02 0.26 -0.63 0.00 0.00 0.00 174.94 173.45 1xsb s ILE 15 N 3.91 5.30 -0.06 2.92 1.01 -1.26 0.12 121.20 133.13 1xsb s ILE 15 Ca 0.33 0.49 -0.01 0.00 0.00 0.00 0.00 60.65 61.46 1xsb s ILE 15 Cb -0.11 -3.54 0.03 0.00 0.01 0.00 0.00 42.46 38.84 1xsb s ILE 15 CO 0.22 0.60 -0.00 0.72 0.00 0.00 0.00 174.94 176.48 1xsb s PHE 16 N -1.04 0.63 -0.27 3.97 -0.71 1.77 -1.81 117.98 120.52 1xsb s PHE 16 Ca 0.19 -0.14 -0.24 0.00 -1.04 0.00 0.00 56.93 55.69 1xsb s PHE 16 Cb -0.14 -0.74 -0.00 0.00 -1.21 0.00 0.00 43.02 40.93 1xsb s PHE 16 CO 0.08 -0.29 0.81 0.50 -1.34 0.00 0.00 175.22 174.98 1xsb s ARG 17 N 1.74 4.10 -0.01 1.99 3.52 0.35 -3.93 118.95 126.71 1xsb s ARG 17 Ca 0.01 0.80 -0.15 0.00 -0.13 0.00 0.00 55.73 56.26 1xsb s ARG 17 Cb -0.13 -3.68 -0.06 0.00 -1.56 0.00 0.00 34.95 29.53 1xsb s ARG 17 CO -0.04 -0.58 0.42 0.50 -0.81 0.00 0.00 175.30 174.79 1xsb s ARG 18 N 2.89 3.99 -0.12 5.12 3.52 -1.26 -2.18 118.95 130.90 1xsb s ARG 18 Ca 0.34 0.42 -0.03 0.00 -0.13 0.00 0.00 55.73 56.33 1xsb s ARG 18 Cb -0.15 -3.25 -0.03 0.00 -1.56 0.00 0.00 34.95 29.96 1xsb s ARG 18 CO 0.09 0.62 -0.02 0.00 -0.81 0.00 0.00 175.30 175.19 1xsb h LEU 20 N 5.96 0.47 -7.45 0.00 5.85 -1.98 -3.45 115.31 114.71 1xsb h LEU 20 Ca -0.41 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.22 1xsb h LEU 20 Cb 1.19 -0.09 -0.19 0.00 0.37 0.00 0.00 40.66 41.94 1xsb h LEU 20 CO 0.59 0.33 -0.20 0.27 -0.34 0.00 0.00 178.44 179.09 1xsb s ILE 21 N -6.14 0.06 0.63 4.05 -0.00 -1.26 -5.15 121.20 113.39 1xsb s ILE 21 Ca -0.13 -0.46 -0.18 0.00 -0.00 0.00 0.00 60.65 59.88 1xsb s ILE 21 Cb 0.13 -0.75 -0.02 0.00 -0.00 0.00 0.00 42.46 41.82 1xsb s ILE 21 CO 0.74 -0.25 1.26 -2.84 -0.00 0.00 0.00 174.94 173.84 1xsb s PRO 22 N -1.67 2.70 0.00 0.37 0.02 -1.26 -4.95 135.00 130.21 1xsb s PRO 22 Ca -0.11 1.96 0.00 0.00 0.02 0.00 0.00 61.00 62.87 1xsb s PRO 22 Cb -0.03 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.61 1xsb s PRO 22 CO 0.03 -1.45 0.00 1.63 -0.33 0.00 0.00 177.00 176.87 1xsb n LYS 23 N -1.81 0.00 0.00 5.54 5.02 -1.26 -4.94 118.16 120.71 1xsb n LYS 23 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1xsb n LYS 23 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 1xsb n LYS 23 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1xsb n VAL 24 N -1.01 0.00 0.30 -0.18 0.24 -1.26 -4.60 118.33 111.82 1xsb n VAL 24 Ca 0.00 0.00 0.16 0.00 -2.04 0.00 0.00 64.34 62.46 1xsb n VAL 24 Cb 0.00 -0.57 0.62 0.00 -1.47 0.00 0.00 33.84 32.42 1xsb n VAL 24 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1xsb h ASP 25 N 0.00 0.00 0.00 -1.34 -0.00 -1.97 -3.44 116.42 109.67 1xsb h ASP 25 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1xsb h ASP 25 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.10 1xsb h ASP 25 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 179.24 178.78 1xsb n ASN 26 N -2.94 0.00 -4.19 2.28 6.94 -1.26 -4.73 115.26 111.36 1xsb n ASN 26 Ca 0.01 0.00 -0.46 0.00 -0.02 0.00 0.00 54.58 54.11 1xsb n ASN 26 Cb 0.31 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.60 1xsb n ASN 26 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1xsb n ASN 27 N 0.00 0.44 -0.25 0.53 3.02 -1.26 -4.72 115.26 113.02 1xsb n ASN 27 Ca 0.00 0.35 -0.04 0.00 -0.03 0.00 0.00 54.58 54.85 1xsb n ASN 27 Cb 0.00 -0.87 0.07 0.00 -0.61 0.00 0.00 39.78 38.37 1xsb n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xsb h ALA 28 N 10.35 0.89 -3.95 5.41 0.00 -1.95 -3.42 119.26 126.60 1xsb h ALA 28 Ca -0.07 -0.03 -0.62 0.00 0.00 0.00 0.00 54.91 54.19 1xsb h ALA 28 Cb 1.28 -0.25 -0.31 0.00 0.00 0.00 0.00 17.79 18.51 1xsb h ALA 28 CO 1.22 0.25 -0.86 0.42 0.00 0.00 0.00 179.25 180.28 1xsb s ILE 29 N -6.13 1.71 0.15 0.00 1.01 -1.26 -2.12 121.20 114.56 1xsb s ILE 29 Ca -0.13 -0.87 0.08 0.00 0.00 0.00 0.00 60.65 59.73 1xsb s ILE 29 Cb 0.15 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 1xsb s ILE 29 CO 0.77 0.48 -0.18 -1.61 0.00 0.00 0.00 174.94 174.40 1xsb s GLU 30 N -0.05 1.22 0.17 2.79 2.02 -0.93 -3.99 118.70 119.94 1xsb s GLU 30 Ca -0.04 -1.35 0.10 0.00 0.02 0.00 0.00 54.97 53.70 1xsb s GLU 30 Cb -0.13 -1.28 -0.04 0.00 0.10 0.00 0.00 34.13 32.79 1xsb s GLU 30 CO 0.03 0.26 -0.17 -0.06 0.02 0.00 0.00 175.26 175.34 1xsb s PHE 31 N -1.95 2.48 -0.10 1.61 0.08 -0.79 0.13 117.98 119.44 1xsb s PHE 31 Ca 0.14 -0.29 -0.26 0.00 0.12 0.00 0.00 56.93 56.64 1xsb s PHE 31 Cb -0.06 -1.24 -0.03 0.00 -0.57 0.00 0.00 43.02 41.13 1xsb s PHE 31 CO 0.06 0.48 0.82 -1.17 -0.10 0.00 0.00 175.22 175.31 1xsb s LEU 32 N -2.63 4.26 -0.05 -0.37 2.96 -0.75 -3.81 118.68 118.28 1xsb s LEU 32 Ca 0.22 1.29 0.04 0.00 -0.22 0.00 0.00 54.13 55.45 1xsb s LEU 32 Cb -0.09 -3.26 0.00 0.00 0.50 0.00 0.00 46.19 43.34 1xsb s LEU 32 CO 0.12 -0.28 -0.16 -0.76 -1.32 0.00 0.00 176.35 173.95 1xsb s LEU 33 N 1.46 1.85 -0.07 -0.68 1.43 -1.16 -4.45 118.68 117.06 1xsb s LEU 33 Ca 0.41 -0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 53.15 1xsb s LEU 33 Cb -0.18 -0.96 -0.03 0.00 0.03 0.00 0.00 46.19 45.05 1xsb s LEU 33 CO 0.18 0.11 0.01 -0.76 0.23 0.00 0.00 176.35 176.12 1xsb s LEU 34 N 0.26 3.59 -0.19 1.79 1.43 -0.58 -1.77 118.68 123.21 1xsb s LEU 34 Ca -0.09 0.12 -0.09 0.00 -1.03 0.00 0.00 54.13 53.05 1xsb s LEU 34 Cb -0.13 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1xsb s LEU 34 CO 0.03 0.35 0.09 -1.58 0.23 0.00 0.00 176.35 175.48 1xsb s GLN 35 N -1.06 4.07 0.46 1.70 0.74 1.16 -1.97 119.66 124.76 1xsb s GLN 35 Ca 0.15 -0.29 -0.24 0.00 0.05 0.00 0.00 55.36 55.03 1xsb s GLN 35 Cb -0.11 -3.30 -0.07 0.00 1.10 0.00 0.00 33.01 30.62 1xsb s GLN 35 CO 0.04 0.28 1.27 0.00 -0.55 0.00 0.00 175.29 176.33 1xsb s ALA 36 N 0.37 3.04 -2.04 1.58 0.00 -1.21 0.20 121.76 123.70 1xsb s ALA 36 Ca 0.05 1.15 0.31 0.00 0.00 0.00 0.00 51.96 53.47 1xsb s ALA 36 Cb -0.12 -3.47 1.81 0.00 0.00 0.00 0.00 23.12 21.35 1xsb s ALA 36 CO -0.01 -0.91 2.17 -1.13 0.00 0.00 0.00 175.76 175.89 1xsb n SER 37 N -0.40 0.11 -0.83 0.00 3.41 -1.07 -4.37 113.62 110.48 1xsb n SER 37 Ca 0.07 -1.05 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 1xsb n SER 37 Cb 0.46 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 1xsb n SER 37 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1xsb n ASP 38 N -0.90 0.00 0.00 4.04 4.64 -1.26 -4.97 116.55 118.09 1xsb n ASP 38 Ca 0.23 -0.83 0.00 0.00 -1.38 0.00 0.00 54.79 52.81 1xsb n ASP 38 Cb 0.13 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.21 1xsb n ASP 38 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1xsb n GLY 39 N 0.00 -0.65 0.06 0.27 0.00 -1.26 -3.30 105.19 100.31 1xsb n GLY 39 Ca 0.00 -1.15 0.12 0.00 0.00 0.00 0.00 46.02 44.99 1xsb n GLY 39 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xsb n ILE 40 N 0.00 0.01 -2.72 -0.61 -5.35 -1.26 -4.88 119.36 104.56 1xsb n ILE 40 Ca 0.00 -0.04 -0.08 0.00 -0.27 0.00 0.00 62.75 62.36 1xsb n ILE 40 Cb 0.00 -0.29 0.04 0.00 -1.74 0.00 0.00 39.64 37.66 1xsb n ILE 40 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1xsb n HIS 41 N -0.75 -1.08 -2.80 4.28 8.25 -1.21 -5.02 115.22 116.89 1xsb n HIS 41 Ca 0.18 0.46 -0.29 0.00 -0.26 0.00 0.00 57.72 57.81 1xsb n HIS 41 Cb 0.11 -3.44 -0.02 0.00 1.12 0.00 0.00 29.99 27.77 1xsb n HIS 41 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1xsb s HIS 42 N -3.17 3.51 -0.16 4.41 -0.00 -1.26 -4.84 115.29 113.79 1xsb s HIS 42 Ca 0.03 0.90 -0.06 0.00 -0.00 0.00 0.00 55.06 55.92 1xsb s HIS 42 Cb -0.01 -2.34 -0.04 0.00 -0.00 0.00 0.00 32.58 30.19 1xsb s HIS 42 CO 0.35 -0.16 0.05 -1.58 -0.00 0.00 0.00 174.74 173.40 1xsb s TRP 43 N -2.51 3.26 0.02 0.38 0.52 -1.26 -3.33 118.94 116.02 1xsb s TRP 43 Ca 0.49 0.12 -0.20 0.00 0.02 0.00 0.00 56.10 56.52 1xsb s TRP 43 Cb -0.10 -2.00 0.04 0.00 -1.15 0.00 0.00 33.47 30.26 1xsb s TRP 43 CO 0.37 0.26 0.46 0.95 0.02 0.00 0.00 176.95 179.02 1xsb s THR 44 N -0.02 0.04 0.90 2.01 -4.23 -0.83 -4.47 115.64 109.03 1xsb s THR 44 Ca 0.06 -0.34 -0.12 0.00 -1.18 0.00 0.00 61.69 60.11 1xsb s THR 44 Cb -0.12 -0.91 0.13 0.00 1.34 0.00 0.00 72.50 72.94 1xsb s THR 44 CO 0.01 -0.19 1.09 -2.16 -0.54 0.00 0.00 174.62 172.84 1xsb s PRO 45 N -2.09 1.27 -0.74 3.99 0.04 -1.26 -1.53 135.00 134.68 1xsb s PRO 45 Ca -0.08 0.78 -0.28 0.00 0.04 0.00 0.00 61.00 61.46 1xsb s PRO 45 Cb -0.01 -1.81 -0.14 0.00 0.04 0.00 0.00 34.50 32.57 1xsb s PRO 45 CO 0.01 -2.22 2.55 -2.30 0.04 0.00 0.00 177.00 175.08 1xsb n PRO 46 N -3.86 0.53 -3.93 0.56 -0.02 -1.26 -4.81 135.00 122.21 1xsb n PRO 46 Ca 0.07 -0.01 -0.35 0.00 -2.02 0.00 0.00 63.50 61.19 1xsb n PRO 46 Cb 0.55 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.48 1xsb n PRO 46 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1xsb s LYS 47 N 8.64 3.40 0.32 -0.52 1.02 -1.26 -2.19 119.74 129.14 1xsb s LYS 47 Ca 1.17 -0.24 -0.03 0.00 0.02 0.00 0.00 55.97 56.88 1xsb s LYS 47 Cb -0.70 -3.12 -0.00 0.00 -0.52 0.00 0.00 37.83 33.49 1xsb s LYS 47 CO 0.37 0.73 0.44 0.20 -0.92 0.00 0.00 175.35 176.17 1xsb s GLY 48 N -1.42 1.39 -0.09 -3.33 0.00 -1.13 -4.97 107.32 97.77 1xsb s GLY 48 Ca 0.20 -1.47 -0.01 0.00 0.00 0.00 0.00 44.72 43.44 1xsb s GLY 48 CO 0.10 -1.00 -0.03 0.30 0.00 0.00 0.00 173.10 172.47 1xsb s HIS 49 N -3.27 3.05 -0.02 1.90 3.76 -1.26 -2.57 115.29 116.87 1xsb s HIS 49 Ca 0.30 0.04 -0.18 0.00 -0.15 0.00 0.00 55.06 55.07 1xsb s HIS 49 Cb 0.00 -1.79 -0.05 0.00 1.11 0.00 0.00 32.58 31.85 1xsb s HIS 49 CO 0.18 0.33 0.51 0.54 -0.85 0.00 0.00 174.74 175.45 1xsb s VAL 50 N -0.63 4.98 0.62 -0.90 0.11 -1.24 -4.90 120.40 118.43 1xsb s VAL 50 Ca 0.10 1.06 -0.10 0.00 -2.93 0.00 0.00 61.98 60.11 1xsb s VAL 50 Cb -0.12 -3.84 0.15 0.00 -1.53 0.00 0.00 36.38 31.04 1xsb s VAL 50 CO 0.02 0.46 0.57 1.21 -3.33 0.00 0.00 175.10 174.03 1xsb n GLU 51 N 2.55 -1.97 0.04 1.54 4.07 -1.26 -4.93 120.64 120.68 1xsb n GLU 51 Ca -0.09 -0.91 -0.02 0.00 -0.06 0.00 0.00 57.16 56.08 1xsb n GLU 51 Cb 0.51 -0.82 -0.01 0.00 -0.06 0.00 0.00 31.44 31.06 1xsb n GLU 51 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1xsb h PRO 52 N 0.00 -0.13 -0.66 5.31 0.13 -1.99 -3.27 132.00 131.39 1xsb h PRO 52 Ca -0.21 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1xsb h PRO 52 Cb 0.64 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1xsb h PRO 52 CO 0.14 -0.08 0.00 0.41 -0.23 0.00 0.00 178.00 178.23 1xsb n GLY 53 N 0.75 0.97 3.86 1.56 0.00 -1.26 -4.85 105.19 106.22 1xsb n GLY 53 Ca -0.02 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 1xsb n GLY 53 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsb s GLU 54 N -1.46 3.94 0.72 1.61 2.12 -1.24 -5.06 118.70 119.34 1xsb s GLU 54 Ca 0.08 0.52 -0.11 0.00 0.36 0.00 0.00 54.97 55.82 1xsb s GLU 54 Cb 0.05 -2.59 0.02 0.00 0.26 0.00 0.00 34.13 31.88 1xsb s GLU 54 CO 0.03 0.26 1.07 0.34 -0.54 0.00 0.00 175.26 176.42 1xsb s ASP 55 N -2.21 5.08 -0.07 -1.70 -1.08 -1.26 -4.72 116.67 110.70 1xsb s ASP 55 Ca 0.49 1.68 -0.26 0.00 -0.52 0.00 0.00 52.55 53.95 1xsb s ASP 55 Cb -0.11 -2.50 -0.22 0.00 -1.46 0.00 0.00 42.92 38.63 1xsb s ASP 55 CO 0.19 -1.65 0.99 0.44 0.52 0.00 0.00 175.17 175.67 1xsb h ASP 56 N -0.86 -0.03 -0.39 -0.34 3.32 -1.97 -2.93 116.42 113.23 1xsb h ASP 56 Ca -0.44 -0.66 -0.08 0.00 0.02 0.00 0.00 57.03 55.87 1xsb h ASP 56 Cb 1.22 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1xsb h ASP 56 CO 0.55 0.67 -0.08 0.25 -1.72 0.00 0.00 179.24 178.91 1xsb h LEU 57 N -0.75 0.74 -1.12 1.55 5.85 -1.96 -2.83 115.31 116.78 1xsb h LEU 57 Ca -0.00 -0.36 0.11 0.00 0.84 0.00 0.00 57.88 58.47 1xsb h LEU 57 Cb 0.68 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.44 1xsb h LEU 57 CO 0.01 0.93 0.61 -0.33 -0.34 0.00 0.00 178.44 179.31 1xsb h GLU 58 N 0.55 0.90 -0.85 1.25 3.07 -1.96 0.63 114.58 118.16 1xsb h GLU 58 Ca 0.10 -0.05 0.02 0.00 -0.50 0.00 0.00 59.36 58.93 1xsb h GLU 58 Cb 0.59 -0.20 -0.05 0.00 -0.84 0.00 0.00 28.75 28.25 1xsb h GLU 58 CO 0.04 0.60 0.55 1.15 -1.40 0.00 0.00 179.01 179.95 1xsb h THR 59 N 0.93 1.16 -0.40 1.13 2.02 -1.30 0.71 112.91 117.16 1xsb h THR 59 Ca 0.45 -0.38 -0.09 0.00 0.77 0.00 0.00 66.41 67.17 1xsb h THR 59 Cb 0.46 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1xsb h THR 59 CO -0.22 0.20 -0.10 0.00 0.37 0.00 0.00 175.52 175.77 1xsb h ALA 60 N 1.34 0.55 0.17 6.16 0.00 -0.22 0.17 119.26 127.44 1xsb h ALA 60 Ca 0.33 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1xsb h ALA 60 Cb -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1xsb h ALA 60 CO -0.10 0.43 -0.09 -0.07 0.00 0.00 0.00 179.25 179.42 1xsb h LEU 61 N 0.59 -0.21 -0.66 0.00 3.38 0.14 0.91 115.31 119.46 1xsb h LEU 61 Ca 0.10 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1xsb h LEU 61 Cb 0.63 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1xsb h LEU 61 CO 0.04 -0.15 0.32 -0.09 0.09 0.00 0.00 178.44 178.65 1xsb h ARG 62 N -0.24 0.95 -0.22 1.13 2.43 0.45 -2.18 114.38 116.71 1xsb h ARG 62 Ca -0.02 -0.14 -0.10 0.00 -0.81 0.00 0.00 59.98 58.91 1xsb h ARG 62 Cb 0.19 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1xsb h ARG 62 CO 0.03 0.76 -0.29 0.00 -1.51 0.00 0.00 179.97 178.96 1xsb h ALA 63 N 1.14 1.09 -0.39 2.80 0.00 -0.28 0.32 119.26 123.94 1xsb h ALA 63 Ca 0.23 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1xsb h ALA 63 Cb 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1xsb h ALA 63 CO -0.03 0.57 0.24 1.15 0.00 0.00 0.00 179.25 181.18 1xsb h THR 64 N 0.38 1.07 0.22 0.00 2.02 0.15 0.38 112.91 117.12 1xsb h THR 64 Ca 0.05 -0.17 -0.32 0.00 0.77 0.00 0.00 66.41 66.74 1xsb h THR 64 Cb 0.71 0.53 0.03 0.00 -1.74 0.00 0.00 68.15 67.68 1xsb h THR 64 CO 0.05 0.09 -1.41 -0.61 0.37 0.00 0.00 175.52 174.01 1xsb h GLN 65 N 0.50 0.53 -0.64 6.66 4.15 -0.59 -0.12 115.11 125.59 1xsb h GLN 65 Ca 0.15 -0.86 -0.03 0.00 0.77 0.00 0.00 58.65 58.68 1xsb h GLN 65 Cb -0.03 0.31 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 1xsb h GLN 65 CO -0.05 1.41 0.29 0.93 -1.93 0.00 0.00 178.83 179.47 1xsb h GLU 66 N 0.16 0.92 -0.27 1.69 4.39 -0.81 3.26 114.58 123.93 1xsb h GLU 66 Ca -0.23 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.34 1xsb h GLU 66 Cb 2.10 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 30.58 1xsb h GLU 66 CO 0.26 0.73 0.00 0.39 -1.16 0.00 0.00 179.01 179.23 1xsb n GLU 67 N -4.33 2.24 0.00 2.33 1.02 0.11 -4.30 120.64 117.71 1xsb n GLU 67 Ca 0.06 -2.06 0.00 0.00 -0.02 0.00 0.00 57.16 55.14 1xsb n GLU 67 Cb 0.15 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 1xsb n GLU 67 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xsb n ALA 68 N 1.27 0.38 -0.45 0.62 0.00 -0.09 -4.37 120.51 117.86 1xsb n ALA 68 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1xsb n ALA 68 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1xsb n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xsb n GLY 69 N 0.05 0.73 3.53 0.00 0.00 1.08 0.41 105.19 110.98 1xsb n GLY 69 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1xsb n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xsb s ILE 70 N -2.87 4.47 0.41 -0.61 1.01 -1.21 -4.77 121.20 117.64 1xsb s ILE 70 Ca 0.00 -0.13 0.07 0.00 0.00 0.00 0.00 60.65 60.59 1xsb s ILE 70 Cb 0.00 -3.05 -0.06 0.00 0.01 0.00 0.00 42.46 39.36 1xsb s ILE 70 CO 0.00 0.40 0.11 -0.70 0.00 0.00 0.00 174.94 174.75 1xsb s GLU 71 N 0.98 2.11 0.46 2.79 2.12 -1.26 -0.85 118.70 125.05 1xsb s GLU 71 Ca 0.04 -1.96 0.25 0.00 0.36 0.00 0.00 54.97 53.65 1xsb s GLU 71 Cb -0.14 -1.83 1.27 0.00 0.26 0.00 0.00 34.13 33.69 1xsb s GLU 71 CO 0.03 -0.09 1.81 0.00 -0.54 0.00 0.00 175.26 176.47 1xsb h ALA 72 N 1.57 2.54 0.00 6.30 0.00 -1.85 4.13 119.26 131.95 1xsb h ALA 72 Ca -0.43 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1xsb h ALA 72 Cb 1.25 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1xsb h ALA 72 CO 0.75 -0.89 0.00 0.41 0.00 0.00 0.00 179.25 179.52 1xsb n GLY 73 N -1.59 -0.64 0.00 0.00 0.00 -1.26 -2.08 105.19 99.62 1xsb n GLY 73 Ca 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1xsb n GLY 73 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xsb n GLN 74 N -1.16 4.99 -3.42 1.61 6.02 1.34 -5.03 117.38 121.73 1xsb n GLN 74 Ca 0.09 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.93 1xsb n GLN 74 Cb 0.09 -0.57 -0.04 0.00 1.02 0.00 0.00 30.24 30.74 1xsb n GLN 74 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1xsb n LEU 75 N -1.01 0.00 -3.96 1.08 -0.00 0.35 -0.59 117.00 112.87 1xsb n LEU 75 Ca 0.00 -1.86 -0.29 0.00 -0.00 0.00 0.00 56.01 53.86 1xsb n LEU 75 Cb 0.00 0.64 -0.16 0.00 -0.00 0.00 0.00 43.42 43.90 1xsb n LEU 75 CO 0.00 -0.29 -0.46 -0.89 -0.00 0.00 0.00 177.39 175.76 1xsb s THR 76 N -2.48 1.37 -0.07 1.47 2.01 0.11 -4.73 115.64 113.31 1xsb s THR 76 Ca 0.13 -0.65 -0.24 0.00 0.31 0.00 0.00 61.69 61.24 1xsb s THR 76 Cb 0.01 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 71.08 1xsb s THR 76 CO 0.09 0.29 0.73 -0.63 -0.69 0.00 0.00 174.62 174.42 1xsb s ILE 77 N 1.55 5.02 0.06 1.82 -1.09 -1.26 -1.47 121.20 125.83 1xsb s ILE 77 Ca 0.03 1.51 -0.20 0.00 -2.23 0.00 0.00 60.65 59.75 1xsb s ILE 77 Cb -0.14 -4.07 -0.06 0.00 -1.58 0.00 0.00 42.46 36.60 1xsb s ILE 77 CO -0.09 0.23 0.60 -0.63 -1.23 0.00 0.00 174.94 173.81 1xsb s ILE 78 N 0.93 4.75 0.09 2.92 1.09 -0.20 -5.00 121.20 125.78 1xsb s ILE 78 Ca 0.39 1.27 0.01 0.00 -1.10 0.00 0.00 60.65 61.22 1xsb s ILE 78 Cb -0.18 -3.93 -0.04 0.00 -1.06 0.00 0.00 42.46 37.25 1xsb s ILE 78 CO 0.19 0.52 0.22 -1.61 -0.10 0.00 0.00 174.94 174.15 1xsb s GLU 79 N -0.87 3.39 0.00 2.79 2.02 -1.26 -4.39 118.70 120.39 1xsb s GLU 79 Ca 0.30 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.77 1xsb s GLU 79 Cb -0.19 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.05 1xsb s GLU 79 CO 0.19 0.58 0.00 0.41 0.02 0.00 0.00 175.26 176.46 1xsb n GLY 80 N 0.02 2.52 3.49 -1.39 0.00 -1.26 -5.04 105.19 103.53 1xsb n GLY 80 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1xsb n GLY 80 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xsb s PHE 81 N -2.52 3.07 -0.25 1.61 2.19 -1.26 -5.08 117.98 115.74 1xsb s PHE 81 Ca 0.00 -0.32 -0.14 0.00 0.33 0.00 0.00 56.93 56.80 1xsb s PHE 81 Cb 0.00 -2.06 0.08 0.00 -1.31 0.00 0.00 43.02 39.73 1xsb s PHE 81 CO 0.00 -0.12 0.62 0.21 1.83 0.00 0.00 175.22 177.76 1xsb s LYS 82 N 0.75 0.63 0.13 10.12 2.20 -1.26 -4.68 119.74 127.63 1xsb s LYS 82 Ca 0.00 1.13 -0.18 0.00 -0.36 0.00 0.00 55.97 56.56 1xsb s LYS 82 Cb -0.14 0.11 0.05 0.00 -1.51 0.00 0.00 37.83 36.34 1xsb s LYS 82 CO 0.02 -0.15 0.46 1.03 -0.36 0.00 0.00 175.35 176.35 1xsb s ARG 83 N 1.61 1.12 -0.01 4.03 0.52 -1.25 -5.04 118.95 119.92 1xsb s ARG 83 Ca -0.10 -0.62 0.02 0.00 -0.52 0.00 0.00 55.73 54.51 1xsb s ARG 83 Cb -0.06 0.50 0.00 0.00 0.52 0.00 0.00 34.95 35.91 1xsb s ARG 83 CO -0.18 -0.45 -0.06 -1.83 0.02 0.00 0.00 175.30 172.80 1xsb s GLU 84 N -3.71 0.56 -0.27 3.54 1.03 -1.25 -1.08 118.70 117.53 1xsb s GLU 84 Ca 0.02 -0.19 -0.17 0.00 0.03 0.00 0.00 54.97 54.66 1xsb s GLU 84 Cb 0.01 -0.56 -0.03 0.00 -0.80 0.00 0.00 34.13 32.75 1xsb s GLU 84 CO -0.12 0.08 0.48 -0.51 -1.33 0.00 0.00 175.26 173.86 1xsb s LEU 85 N 0.12 4.06 -0.15 1.83 1.43 0.25 -4.73 118.68 121.50 1xsb s LEU 85 Ca -0.01 0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 1xsb s LEU 85 Cb -0.05 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.57 1xsb s LEU 85 CO -0.00 -0.27 -0.18 0.20 0.23 0.00 0.00 176.35 176.32 1xsb s ASN 86 N 1.58 3.41 -0.06 2.29 0.01 -1.26 -0.70 114.94 120.21 1xsb s ASN 86 Ca 0.20 -0.53 -0.29 0.00 -0.71 0.00 0.00 52.86 51.53 1xsb s ASN 86 Cb -0.16 -1.51 0.11 0.00 0.41 0.00 0.00 41.25 40.10 1xsb s ASN 86 CO 0.09 0.09 0.88 -0.72 -1.51 0.00 0.00 177.10 175.94 1xsb s TYR 87 N 0.78 -0.41 -0.33 2.20 -0.85 -1.18 -4.91 117.35 112.64 1xsb s TYR 87 Ca -0.07 0.50 -0.12 0.00 -0.52 0.00 0.00 57.07 56.86 1xsb s TYR 87 Cb -0.16 0.49 -0.01 0.00 0.38 0.00 0.00 41.96 42.66 1xsb s TYR 87 CO -0.00 -0.50 0.21 0.54 -1.52 0.00 0.00 175.55 174.28 1xsb s VAL 88 N -2.15 5.01 0.00 -3.49 0.11 -1.26 -1.12 120.40 117.50 1xsb s VAL 88 Ca 0.00 -0.33 0.00 0.00 -2.93 0.00 0.00 61.98 58.72 1xsb s VAL 88 Cb -0.01 -3.58 0.00 0.00 -1.53 0.00 0.00 36.38 31.26 1xsb s VAL 88 CO -0.03 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 171.74 1xsb n ALA 89 N 5.06 0.00 -0.15 1.54 0.00 -1.11 -4.65 120.51 121.20 1xsb n ALA 89 Ca -0.13 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.28 1xsb n ALA 89 Cb 0.49 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.00 1xsb n ALA 89 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1xsb h ARG 90 N 0.00 0.23 0.00 0.00 0.11 -2.05 -3.41 114.38 109.26 1xsb h ARG 90 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1xsb h ARG 90 Cb 0.00 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.03 1xsb h ARG 90 CO 0.00 0.15 0.00 0.27 0.10 0.00 0.00 179.97 180.49 1xsb n ASN 91 N -5.10 0.00 -3.90 0.08 0.23 -1.26 -5.14 115.26 100.17 1xsb n ASN 91 Ca 0.05 -0.23 -0.17 0.00 -0.53 0.00 0.00 54.58 53.70 1xsb n ASN 91 Cb 0.22 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 37.77 1xsb n ASN 91 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1xsb s LYS 92 N 0.00 0.53 0.02 -3.83 0.00 -1.26 -5.06 119.74 110.14 1xsb s LYS 92 Ca 0.00 -0.09 -0.30 0.00 0.00 0.00 0.00 55.97 55.57 1xsb s LYS 92 Cb 0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 37.83 37.22 1xsb s LYS 92 CO 0.00 -0.01 1.03 -1.25 0.00 0.00 0.00 175.35 175.12 1xsb s PRO 93 N 0.50 4.53 -0.13 1.78 0.04 -1.26 -2.73 135.00 137.74 1xsb s PRO 93 Ca -0.06 1.50 0.01 0.00 0.04 0.00 0.00 61.00 62.50 1xsb s PRO 93 Cb -0.09 -3.43 0.02 0.00 0.04 0.00 0.00 34.50 31.03 1xsb s PRO 93 CO -0.00 -0.09 -0.16 0.15 0.04 0.00 0.00 177.00 176.94 1xsb s LYS 94 N 0.99 2.37 -0.27 4.56 1.02 -0.27 -1.32 119.74 126.81 1xsb s LYS 94 Ca 0.53 -0.60 -0.22 0.00 0.02 0.00 0.00 55.97 55.70 1xsb s LYS 94 Cb -0.23 -2.05 -0.01 0.00 -0.52 0.00 0.00 37.83 35.02 1xsb s LYS 94 CO 0.28 -0.12 0.72 0.99 -0.92 0.00 0.00 175.35 176.30 1xsb s THR 95 N 1.14 4.89 -0.19 2.17 2.01 -0.84 -3.12 115.64 121.70 1xsb s THR 95 Ca -0.02 1.20 -0.02 0.00 0.31 0.00 0.00 61.69 63.15 1xsb s THR 95 Cb -0.14 -4.04 -0.01 0.00 0.01 0.00 0.00 72.50 68.32 1xsb s THR 95 CO -0.05 -0.10 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.01 1xsb s VAL 96 N 2.72 3.14 -0.23 3.82 1.01 0.12 -1.27 120.40 129.70 1xsb s VAL 96 Ca 0.30 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.59 1xsb s VAL 96 Cb -0.15 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 1xsb s VAL 96 CO 0.10 0.46 0.15 -0.63 0.00 0.00 0.00 175.10 175.18 1xsb s ILE 97 N 1.19 5.36 -0.11 2.22 -1.09 -1.07 0.88 121.20 128.58 1xsb s ILE 97 Ca 0.02 0.18 0.01 0.00 -2.23 0.00 0.00 60.65 58.63 1xsb s ILE 97 Cb -0.14 -3.49 -0.02 0.00 -1.58 0.00 0.00 42.46 37.23 1xsb s ILE 97 CO -0.03 0.36 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.60 1xsb s TYR 98 N 0.92 2.77 -0.01 3.97 2.02 -0.24 -2.55 117.35 124.23 1xsb s TYR 98 Ca 0.08 -0.57 0.03 0.00 -0.37 0.00 0.00 57.07 56.24 1xsb s TYR 98 Cb -0.13 -1.79 -0.03 0.00 -0.40 0.00 0.00 41.96 39.61 1xsb s TYR 98 CO 0.03 -0.14 -0.09 -1.58 -1.57 0.00 0.00 175.55 172.20 1xsb s TRP 99 N 0.12 2.83 0.23 2.71 0.51 -1.25 -3.95 118.94 120.15 1xsb s TRP 99 Ca -0.07 -0.07 -0.30 0.00 -2.12 0.00 0.00 56.10 53.55 1xsb s TRP 99 Cb -0.15 -1.61 -0.09 0.00 -0.81 0.00 0.00 33.47 30.81 1xsb s TRP 99 CO 0.05 0.32 1.11 -0.51 -0.51 0.00 0.00 176.95 177.41 1xsb s LEU 100 N -1.20 4.52 0.06 2.99 1.43 -1.25 -1.65 118.68 123.57 1xsb s LEU 100 Ca 0.15 2.19 0.02 0.00 -1.03 0.00 0.00 54.13 55.46 1xsb s LEU 100 Cb -0.11 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 1xsb s LEU 100 CO 0.05 -0.19 -0.07 0.00 0.23 0.00 0.00 176.35 176.37 1xsb s ALA 101 N -0.69 0.67 -0.11 4.21 0.00 0.33 -1.03 121.76 125.13 1xsb s ALA 101 Ca 0.47 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.50 1xsb s ALA 101 Cb -0.31 0.08 0.02 0.00 0.00 0.00 0.00 23.12 22.92 1xsb s ALA 101 CO 0.38 -0.09 -0.09 -2.00 0.00 0.00 0.00 175.76 173.96 1xsb s GLU 102 N -2.24 1.64 0.06 0.00 2.12 -0.54 0.48 118.70 120.22 1xsb s GLU 102 Ca -0.04 -0.31 -0.30 0.00 0.36 0.00 0.00 54.97 54.68 1xsb s GLU 102 Cb -0.05 -1.61 -0.05 0.00 0.26 0.00 0.00 34.13 32.68 1xsb s GLU 102 CO -0.01 -0.21 1.08 0.14 -0.54 0.00 0.00 175.26 175.72 1xsb s VAL 103 N 1.50 4.37 0.21 3.70 -7.23 -1.26 0.06 120.40 121.75 1xsb s VAL 103 Ca 0.01 1.76 -0.10 0.00 -1.81 0.00 0.00 61.98 61.84 1xsb s VAL 103 Cb -0.13 -4.13 0.15 0.00 0.56 0.00 0.00 36.38 32.84 1xsb s VAL 103 CO -0.06 0.17 1.87 0.11 -0.31 0.00 0.00 175.10 176.88 1xsb h LYS 104 N 6.49 0.96 -5.89 4.82 1.57 -1.18 -3.43 116.57 119.91 1xsb h LYS 104 Ca -0.42 -0.06 -0.61 0.00 -1.87 0.00 0.00 60.65 57.69 1xsb h LYS 104 Cb 1.22 -0.22 -0.06 0.00 0.08 0.00 0.00 32.23 33.25 1xsb h LYS 104 CO 0.77 0.63 -0.25 0.34 -0.57 0.00 0.00 179.45 180.38 1xsb s ASP 105 N -5.85 6.71 0.18 0.86 2.15 -1.26 -4.97 116.67 114.48 1xsb s ASP 105 Ca -0.13 0.84 -0.10 0.00 0.43 0.00 0.00 52.55 53.60 1xsb s ASP 105 Cb 0.15 -2.22 0.07 0.00 -0.30 0.00 0.00 42.92 40.62 1xsb s ASP 105 CO 0.78 0.29 1.66 0.22 -0.17 0.00 0.00 175.17 177.94 1xsb h TYR 106 N 5.09 1.13 -0.65 -5.34 3.20 -2.00 -2.26 116.97 116.13 1xsb h TYR 106 Ca -0.50 -0.17 -0.16 0.00 3.14 0.00 0.00 58.73 61.04 1xsb h TYR 106 Cb 1.21 -0.30 -0.09 0.00 1.54 0.00 0.00 36.73 39.09 1xsb h TYR 106 CO 0.70 0.97 0.18 -0.25 -1.64 0.00 0.00 178.16 178.13 1xsb n ASP 107 N -4.24 4.85 -4.04 -2.11 10.43 -1.26 -5.01 116.55 115.17 1xsb n ASP 107 Ca 0.03 -3.18 -0.38 0.00 2.57 0.00 0.00 54.79 53.83 1xsb n ASP 107 Cb 0.31 -0.71 0.00 0.00 1.84 0.00 0.00 41.12 42.56 1xsb n ASP 107 CO 0.00 0.00 0.00 0.55 -1.07 0.00 0.00 177.20 176.68 1xsb n VAL 108 N -0.08 0.38 -1.97 2.53 3.14 -0.85 -4.77 118.33 116.70 1xsb n VAL 108 Ca 0.37 -0.47 -0.39 0.00 -2.96 0.00 0.00 64.34 60.89 1xsb n VAL 108 Cb 1.30 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 34.09 1xsb n VAL 108 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1xsb s GLU 109 N -0.94 3.68 -0.28 1.45 -1.05 -1.26 -5.00 118.70 115.30 1xsb s GLU 109 Ca 0.55 2.17 0.02 0.00 -0.15 0.00 0.00 54.97 57.56 1xsb s GLU 109 Cb -0.55 -2.56 0.08 0.00 -0.44 0.00 0.00 34.13 30.65 1xsb s GLU 109 CO 0.60 -0.74 -0.02 0.42 0.95 0.00 0.00 175.26 176.47 1xsb s ILE 110 N -1.30 1.80 -0.21 1.83 -1.09 -1.25 -4.45 121.20 116.52 1xsb s ILE 110 Ca 0.62 -1.64 -0.07 0.00 -2.23 0.00 0.00 60.65 57.34 1xsb s ILE 110 Cb -0.38 -2.13 -0.03 0.00 -1.58 0.00 0.00 42.46 38.34 1xsb s ILE 110 CO 0.48 -0.28 0.06 -0.13 -1.23 0.00 0.00 174.94 173.84 1xsb s ARG 111 N 1.22 3.80 -0.09 2.79 1.81 1.35 -4.92 118.95 124.91 1xsb s ARG 111 Ca -0.00 -0.42 -0.01 0.00 -1.72 0.00 0.00 55.73 53.58 1xsb s ARG 111 Cb -0.19 -3.25 -0.03 0.00 -0.45 0.00 0.00 34.95 31.03 1xsb s ARG 111 CO -0.09 0.04 -0.04 -0.51 -0.68 0.00 0.00 175.30 174.02 1xsb s LEU 112 N 1.00 3.30 0.64 2.53 1.43 -1.26 -0.93 118.68 125.38 1xsb s LEU 112 Ca 0.04 0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1xsb s LEU 112 Cb -0.14 -1.74 0.07 0.00 0.03 0.00 0.00 46.19 44.41 1xsb s LEU 112 CO 0.03 0.33 0.89 -0.94 0.23 0.00 0.00 176.35 176.89 1xsb s SER 113 N -0.62 4.86 0.47 2.29 1.04 -1.25 -4.84 113.70 115.65 1xsb s SER 113 Ca 0.10 -0.04 0.28 0.00 0.48 0.00 0.00 55.95 56.76 1xsb s SER 113 Cb -0.12 -0.62 1.34 0.00 0.10 0.00 0.00 66.02 66.72 1xsb s SER 113 CO 0.02 -1.48 1.78 -0.74 0.98 0.00 0.00 173.24 173.80 1xsb h HIS 114 N -0.26 0.34 -0.20 5.02 2.76 -1.99 0.96 115.15 121.78 1xsb h HIS 114 Ca -0.41 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 57.75 1xsb h HIS 114 Cb 1.29 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 30.14 1xsb h HIS 114 CO 0.16 0.01 -0.02 0.93 -1.30 0.00 0.00 177.93 177.72 1xsb h GLU 115 N 0.19 0.29 -5.55 5.26 5.08 -1.96 -3.39 114.58 114.51 1xsb h GLU 115 Ca 0.60 -0.05 -0.66 0.00 -1.00 0.00 0.00 59.36 58.25 1xsb h GLU 115 Cb 1.94 -0.05 -0.26 0.00 0.50 0.00 0.00 28.75 30.88 1xsb h GLU 115 CO -0.17 0.33 -0.77 -1.01 -1.00 0.00 0.00 179.01 176.40 1xsb s HIS 116 N -4.96 2.79 -0.26 4.33 3.76 0.33 -2.58 115.29 118.70 1xsb s HIS 116 Ca -0.06 -0.53 -0.01 0.00 -0.15 0.00 0.00 55.06 54.30 1xsb s HIS 116 Cb 0.16 -1.79 -0.16 0.00 1.11 0.00 0.00 32.58 31.90 1xsb s HIS 116 CO 0.73 -0.12 -0.25 0.94 -0.85 0.00 0.00 174.74 175.18 1xsb n GLN 117 N 3.24 0.62 -3.83 1.40 7.27 0.54 -3.89 117.38 122.73 1xsb n GLN 117 Ca -0.18 0.17 -0.09 0.00 0.07 0.00 0.00 57.00 56.97 1xsb n GLN 117 Cb 0.53 -1.50 -0.07 0.00 2.41 0.00 0.00 30.24 31.60 1xsb n GLN 117 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xsb s ALA 118 N -2.51 -0.34 0.13 1.69 0.00 -1.16 -4.94 121.76 114.63 1xsb s ALA 118 Ca -0.35 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 51.19 1xsb s ALA 118 Cb 0.10 0.44 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 1xsb s ALA 118 CO 0.57 -0.48 -0.10 1.52 0.00 0.00 0.00 175.76 177.27 1xsb s TYR 119 N -3.47 1.16 0.01 0.00 1.13 -1.26 0.37 117.35 115.29 1xsb s TYR 119 Ca 0.02 -0.75 -0.02 0.00 -1.41 0.00 0.00 57.07 54.91 1xsb s TYR 119 Cb 0.03 -0.61 -0.01 0.00 -1.10 0.00 0.00 41.96 40.27 1xsb s TYR 119 CO -0.09 0.03 0.02 1.03 -2.51 0.00 0.00 175.55 174.03 1xsb s ARG 120 N -3.47 0.37 -0.38 -3.49 0.52 -0.73 -4.96 118.95 106.80 1xsb s ARG 120 Ca 0.13 -0.54 -0.08 0.00 -0.52 0.00 0.00 55.73 54.71 1xsb s ARG 120 Cb 0.01 0.14 0.05 0.00 0.52 0.00 0.00 34.95 35.68 1xsb s ARG 120 CO -0.00 -0.07 0.19 -1.58 0.02 0.00 0.00 175.30 173.86 1xsb s TRP 121 N -1.44 3.29 0.33 -0.53 0.52 -1.26 -2.97 118.94 116.89 1xsb s TRP 121 Ca -0.16 -1.39 0.03 0.00 0.02 0.00 0.00 56.10 54.61 1xsb s TRP 121 Cb -0.09 -2.61 -0.05 0.00 -1.15 0.00 0.00 33.47 29.56 1xsb s TRP 121 CO -0.00 -0.77 0.08 -0.51 0.02 0.00 0.00 176.95 175.77 1xsb s LEU 122 N 1.44 2.07 0.00 2.99 1.02 -1.25 -4.95 118.68 120.00 1xsb s LEU 122 Ca 0.01 -1.44 -0.09 0.00 0.02 0.00 0.00 54.13 52.63 1xsb s LEU 122 Cb -0.21 -0.28 0.16 0.00 0.02 0.00 0.00 46.19 45.88 1xsb s LEU 122 CO 0.03 -0.69 0.96 0.61 0.02 0.00 0.00 176.35 177.28 1xsb n GLY 123 N -0.71 -0.87 0.37 -3.19 0.00 -1.26 -1.89 105.19 97.64 1xsb n GLY 123 Ca -0.03 -1.78 0.01 0.00 0.00 0.00 0.00 46.02 44.22 1xsb n GLY 123 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xsb h LEU 124 N 0.00 0.99 0.42 0.99 5.85 -1.95 0.38 115.31 121.99 1xsb h LEU 124 Ca -0.31 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 1xsb h LEU 124 Cb 0.92 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1xsb h LEU 124 CO 0.24 0.69 -0.27 1.05 -0.34 0.00 0.00 178.44 179.81 1xsb h GLU 125 N 1.15 -0.64 -0.07 1.25 4.11 -1.94 0.42 114.58 118.86 1xsb h GLU 125 Ca 0.35 0.04 -0.03 0.00 0.07 0.00 0.00 59.36 59.79 1xsb h GLU 125 Cb -0.02 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1xsb h GLU 125 CO -0.10 -0.43 -0.09 0.93 0.07 0.00 0.00 179.01 179.39 1xsb h GLU 126 N -0.67 0.18 -0.92 1.06 3.07 -1.86 0.24 114.58 115.68 1xsb h GLU 126 Ca -0.04 -0.11 0.24 0.00 -0.50 0.00 0.00 59.36 58.95 1xsb h GLU 126 Cb 0.56 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.41 1xsb h GLU 126 CO 0.04 0.65 0.63 0.00 -1.40 0.00 0.00 179.01 178.93 1xsb h ALA 127 N 0.53 2.47 0.04 3.43 0.00 -0.19 0.99 119.26 126.53 1xsb h ALA 127 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.67 1xsb h ALA 127 Cb 0.63 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1xsb h ALA 127 CO 0.02 -0.76 -1.06 0.00 0.00 0.00 0.00 179.25 177.45 1xsb h GLN 129 N 0.23 0.31 -0.30 0.00 -0.00 0.42 -3.11 115.11 112.66 1xsb h GLN 129 Ca -0.11 -0.11 -0.07 0.00 -0.00 0.00 0.00 58.65 58.35 1xsb h GLN 129 Cb 1.72 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 29.17 1xsb h GLN 129 CO 0.19 0.57 -0.10 -0.07 -0.00 0.00 0.00 178.83 179.42 1xsb h LEU 130 N 0.02 0.61 -4.24 0.06 3.38 -0.23 -2.92 115.31 111.98 1xsb h LEU 130 Ca 0.04 -0.39 -0.26 0.00 0.09 0.00 0.00 57.88 57.37 1xsb h LEU 130 Cb 0.45 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 1xsb h LEU 130 CO 0.01 0.85 0.39 0.00 0.09 0.00 0.00 178.44 179.79 1xsb n ALA 131 N -2.42 6.26 -0.43 1.53 0.00 -0.36 -4.20 120.51 120.89 1xsb n ALA 131 Ca -0.03 -2.01 0.36 0.00 0.00 0.00 0.00 53.44 51.76 1xsb n ALA 131 Cb 0.34 -2.50 0.61 0.00 0.00 0.00 0.00 19.45 17.90 1xsb n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsb n GLN 132 N 2.73 -0.03 -1.68 0.00 10.64 -1.10 -3.66 117.38 124.28 1xsb n GLN 132 Ca 0.46 1.11 -0.49 0.00 -1.83 0.00 0.00 57.00 56.26 1xsb n GLN 132 Cb 0.75 -2.19 -0.05 0.00 -0.86 0.00 0.00 30.24 27.89 1xsb n GLN 132 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1xsb n PHE 133 N -4.45 2.27 -0.23 2.61 3.72 -1.26 -4.81 117.46 115.30 1xsb n PHE 133 Ca 0.36 0.11 0.07 0.00 -0.05 0.00 0.00 57.45 57.95 1xsb n PHE 133 Cb 1.41 -2.61 0.33 0.00 -0.94 0.00 0.00 39.48 37.67 1xsb n PHE 133 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1xsb h LYS 134 N 8.18 0.78 -0.61 -1.08 3.64 -1.96 -0.80 116.57 124.72 1xsb h LYS 134 Ca -0.48 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 58.94 1xsb h LYS 134 Cb 1.27 -0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 32.85 1xsb h LYS 134 CO 0.93 0.51 0.26 0.93 -2.27 0.00 0.00 179.45 179.81 1xsb h GLU 135 N 0.80 0.46 -0.00 1.90 5.08 -1.89 0.57 114.58 121.50 1xsb h GLU 135 Ca 0.37 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.57 1xsb h GLU 135 Cb 0.37 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.53 1xsb h GLU 135 CO -0.14 0.30 -0.49 0.52 -1.00 0.00 0.00 179.01 178.20 1xsb h MET 136 N 0.47 0.33 -0.81 2.33 2.86 -1.58 0.51 114.93 119.04 1xsb h MET 136 Ca 0.30 -0.36 0.12 0.00 -2.06 0.00 0.00 59.70 57.70 1xsb h MET 136 Cb 0.32 0.10 -0.06 0.00 0.06 0.00 0.00 31.60 32.02 1xsb h MET 136 CO -0.26 1.05 0.53 0.87 1.06 0.00 0.00 176.91 180.15 1xsb h LYS 137 N -0.24 0.64 -0.05 1.72 1.57 -0.79 1.40 116.57 120.82 1xsb h LYS 137 Ca -0.06 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1xsb h LYS 137 Cb 1.22 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1xsb h LYS 137 CO 0.10 0.42 -0.20 0.00 -0.57 0.00 0.00 179.45 179.20 1xsb h ALA 138 N 1.61 0.09 -0.29 3.86 0.00 0.28 0.47 119.26 125.28 1xsb h ALA 138 Ca 0.39 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1xsb h ALA 138 Cb 0.59 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1xsb h ALA 138 CO -0.15 0.06 0.13 0.00 0.00 0.00 0.00 179.25 179.28 1xsb h ALA 139 N 0.41 0.35 0.00 0.00 0.00 0.19 1.01 119.26 121.22 1xsb h ALA 139 Ca -0.01 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1xsb h ALA 139 Cb 0.85 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1xsb h ALA 139 CO 0.04 -0.27 -0.32 -0.07 0.00 0.00 0.00 179.25 178.64 1xsb h LEU 140 N 0.27 0.00 0.07 0.00 3.38 0.18 -2.03 115.31 117.18 1xsb h LEU 140 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1xsb h LEU 140 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1xsb h LEU 140 CO -0.11 0.32 -0.04 1.56 0.09 0.00 0.00 178.44 180.27 1xsb h GLN 141 N 0.00 -0.09 -0.45 1.13 1.08 0.25 -3.07 115.11 113.96 1xsb h GLN 141 Ca -0.00 0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 1xsb h GLN 141 Cb 0.59 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.02 1xsb h GLN 141 CO 0.04 0.47 -0.01 0.93 -0.95 0.00 0.00 178.83 179.31 1xsb h GLU 142 N -0.81 0.75 -0.28 1.46 4.39 0.95 -1.66 114.58 119.38 1xsb h GLU 142 Ca -0.01 -0.20 0.03 0.00 0.34 0.00 0.00 59.36 59.52 1xsb h GLU 142 Cb 0.61 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 1xsb h GLU 142 CO 0.02 0.76 0.10 0.78 -1.16 0.00 0.00 179.01 179.51 1xsb h GLY 143 N 0.96 0.36 1.03 -3.84 0.00 -1.46 0.27 103.07 100.38 1xsb h GLY 143 Ca 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 1xsb h GLY 143 CO 0.02 0.04 0.39 0.84 0.00 0.00 0.00 176.54 177.82 1xsb h HIS 144 N 0.23 1.15 -0.29 5.60 -0.00 -1.39 0.06 115.15 120.51 1xsb h HIS 144 Ca 0.13 -0.06 -0.01 0.00 -0.00 0.00 0.00 60.37 60.43 1xsb h HIS 144 Cb 0.09 -0.36 -0.01 0.00 -0.00 0.00 0.00 27.41 27.13 1xsb h HIS 144 CO -0.13 0.84 0.14 0.37 -0.00 0.00 0.00 177.93 179.15 1xsb h GLN 145 N 1.14 0.41 -0.01 5.26 5.75 -0.31 -2.03 115.11 125.32 1xsb h GLN 145 Ca 0.28 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.71 1xsb h GLN 145 Cb 0.12 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 28.59 1xsb h GLN 145 CO -0.04 0.39 -0.01 0.35 -2.65 0.00 0.00 178.83 176.88 1xsb h PHE 146 N 0.33 0.02 -0.57 3.99 3.04 -0.24 -2.92 116.94 120.59 1xsb h PHE 146 Ca 0.10 -0.01 0.12 0.00 3.98 0.00 0.00 57.97 62.16 1xsb h PHE 146 Cb 0.11 -0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.59 1xsb h PHE 146 CO -0.02 0.50 0.39 -0.07 -2.02 0.00 0.00 178.31 177.10 1xsb h LEU 147 N -0.47 0.23 -0.50 0.59 3.38 -0.99 0.79 115.31 118.34 1xsb h LEU 147 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xsb h LEU 147 Cb 0.50 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1xsb h LEU 147 CO 0.00 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.66 1xsb n SER 149 N -2.46 0.54 0.00 0.00 7.64 0.27 -4.79 113.62 114.83 1xsb n SER 149 Ca 0.03 -0.51 0.00 0.00 1.01 0.00 0.00 58.87 59.40 1xsb n SER 149 Cb 0.34 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 1xsb n SER 149 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1xsb n ILE 150 N -1.00 0.00 -3.64 0.44 5.41 -1.00 -4.86 119.36 114.70 1xsb n ILE 150 Ca 0.12 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.65 1xsb n ILE 150 Cb 0.30 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.24 1xsb n ILE 150 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1xsb n GLU 151 N 0.00 -1.32 0.00 0.38 2.13 -1.26 -4.43 120.64 116.14 1xsb n GLU 151 Ca 0.00 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.63 1xsb n GLU 151 Cb 0.00 -3.35 0.00 0.00 0.27 0.00 0.00 31.44 28.36 1xsb n GLU 151 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xsb n ALA 152 N -2.91 0.00 0.36 4.31 0.00 -1.26 -5.20 120.51 115.81 1xsb n ALA 152 Ca -0.20 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.27 1xsb n ALA 152 Cb 0.62 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.25 1xsb n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78