#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsb n PRO 2 N 0.00 0.62 -3.30 1.61 -0.04 -1.26 -4.85 135.00 127.79 1xsb n PRO 2 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 1xsb n PRO 2 Cb 0.00 -1.19 -0.06 0.00 -0.04 0.00 0.00 33.50 32.21 1xsb n PRO 2 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xsb s LEU 3 N 0.00 4.50 -0.05 1.53 1.43 -1.26 -4.66 118.68 120.17 1xsb s LEU 3 Ca 0.00 1.22 -0.03 0.00 -1.03 0.00 0.00 54.13 54.29 1xsb s LEU 3 Cb 0.00 -2.92 0.01 0.00 0.03 0.00 0.00 46.19 43.31 1xsb s LEU 3 CO 0.00 0.26 0.05 0.61 0.23 0.00 0.00 176.35 177.50 1xsb n GLY 4 N 1.60 -1.29 3.76 -3.19 0.00 -1.26 -4.86 105.19 99.96 1xsb n GLY 4 Ca -0.10 0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.99 1xsb n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xsb s SER 5 N -0.37 4.67 -0.24 1.61 1.04 -1.26 -4.98 113.70 114.16 1xsb s SER 5 Ca -0.06 2.02 -0.17 0.00 0.48 0.00 0.00 55.95 58.22 1xsb s SER 5 Cb 0.00 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.54 1xsb s SER 5 CO 0.20 -1.93 0.47 -0.32 0.98 0.00 0.00 173.24 172.64 1xsb s MET 6 N -4.31 4.11 0.52 4.02 1.75 -1.26 -4.90 119.30 119.22 1xsb s MET 6 Ca 0.67 0.27 -0.20 0.00 -1.25 0.00 0.00 55.69 55.17 1xsb s MET 6 Cb -0.21 -3.61 -0.09 0.00 2.84 0.00 0.00 34.83 33.76 1xsb s MET 6 CO 0.47 -0.23 0.73 0.00 -0.65 0.00 0.00 175.02 175.34 1xsb n ALA 7 N 5.11 -0.64 -2.75 4.11 0.00 -1.26 -4.70 120.51 120.39 1xsb n ALA 7 Ca -0.06 0.07 -0.35 0.00 0.00 0.00 0.00 53.44 53.11 1xsb n ALA 7 Cb 0.50 -1.93 -0.08 0.00 0.00 0.00 0.00 19.45 17.94 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 0.06 3.82 0.10 0.00 1.02 0.21 -4.97 118.68 118.93 1xsb s LEU 8 Ca 0.68 0.20 -0.24 0.00 0.02 0.00 0.00 54.13 54.78 1xsb s LEU 8 Cb -0.49 -2.02 -0.07 0.00 0.02 0.00 0.00 46.19 43.63 1xsb s LEU 8 CO 0.54 0.34 0.75 -0.60 0.02 0.00 0.00 176.35 177.40 1xsb s ARG 9 N -1.22 4.50 0.08 1.70 3.52 -1.26 -1.33 118.95 124.94 1xsb s ARG 9 Ca 0.17 1.07 -0.09 0.00 -0.13 0.00 0.00 55.73 56.75 1xsb s ARG 9 Cb -0.12 -3.30 0.00 0.00 -1.56 0.00 0.00 34.95 29.97 1xsb s ARG 9 CO 0.07 0.45 0.20 0.00 -0.81 0.00 0.00 175.30 175.21 1xsb s ALA 10 N -0.66 -0.26 -0.18 6.12 0.00 -0.01 -3.71 121.76 123.06 1xsb s ALA 10 Ca 0.36 -0.55 -0.07 0.00 0.00 0.00 0.00 51.96 51.71 1xsb s ALA 10 Cb -0.22 0.45 0.08 0.00 0.00 0.00 0.00 23.12 23.44 1xsb s ALA 10 CO 0.24 -0.49 0.38 0.00 0.00 0.00 0.00 175.76 175.89 1xsb s GLY 12 N 2.23 2.90 -0.16 0.00 0.00 -1.02 -3.32 107.32 107.95 1xsb s GLY 12 Ca -0.03 -0.68 0.01 0.00 0.00 0.00 0.00 44.72 44.01 1xsb s GLY 12 CO -0.12 -2.16 -0.14 1.08 0.00 0.00 0.00 173.10 171.77 1xsb s LEU 13 N -3.91 1.88 -0.52 0.66 1.43 -1.06 -3.89 118.68 113.28 1xsb s LEU 13 Ca 0.12 -0.61 -0.24 0.00 -1.03 0.00 0.00 54.13 52.37 1xsb s LEU 13 Cb 0.02 -1.22 0.04 0.00 0.03 0.00 0.00 46.19 45.06 1xsb s LEU 13 CO 0.07 -0.07 0.92 -0.63 0.23 0.00 0.00 176.35 176.86 1xsb s ILE 14 N 1.44 4.44 -0.05 -0.59 1.01 -0.49 -4.19 121.20 122.76 1xsb s ILE 14 Ca 0.03 0.37 -0.11 0.00 0.00 0.00 0.00 60.65 60.94 1xsb s ILE 14 Cb -0.14 -4.50 -0.05 0.00 0.01 0.00 0.00 42.46 37.79 1xsb s ILE 14 CO -0.10 -1.02 0.29 -0.63 0.00 0.00 0.00 174.94 173.48 1xsb s ILE 15 N 3.83 5.24 -0.05 2.92 1.01 -1.26 0.89 121.20 133.78 1xsb s ILE 15 Ca 0.31 0.57 -0.02 0.00 0.00 0.00 0.00 60.65 61.51 1xsb s ILE 15 Cb -0.12 -3.58 0.03 0.00 0.01 0.00 0.00 42.46 38.80 1xsb s ILE 15 CO 0.21 0.59 0.03 0.72 0.00 0.00 0.00 174.94 176.49 1xsb s PHE 16 N -1.03 0.36 -0.36 3.97 -0.71 1.50 -1.81 117.98 119.91 1xsb s PHE 16 Ca 0.20 0.04 -0.26 0.00 -1.04 0.00 0.00 56.93 55.87 1xsb s PHE 16 Cb -0.15 -0.63 0.01 0.00 -1.21 0.00 0.00 43.02 41.05 1xsb s PHE 16 CO 0.09 -0.25 0.94 0.50 -1.34 0.00 0.00 175.22 175.17 1xsb s ARG 17 N 1.99 3.89 0.01 1.99 3.00 0.14 -3.93 118.95 126.04 1xsb s ARG 17 Ca 0.04 0.67 -0.19 0.00 -1.00 0.00 0.00 55.73 55.25 1xsb s ARG 17 Cb -0.12 -3.79 -0.06 0.00 0.00 0.00 0.00 34.95 30.99 1xsb s ARG 17 CO -0.04 -0.92 0.56 0.50 0.00 0.00 0.00 175.30 175.39 1xsb s ARG 18 N 3.48 4.24 0.37 5.12 3.52 -1.26 -2.83 118.95 131.58 1xsb s ARG 18 Ca 0.39 0.68 -0.04 0.00 -0.13 0.00 0.00 55.73 56.63 1xsb s ARG 18 Cb -0.12 -3.30 -0.04 0.00 -1.56 0.00 0.00 34.95 29.92 1xsb s ARG 18 CO 0.18 0.48 0.64 0.00 -0.81 0.00 0.00 175.30 175.78 1xsb h LEU 20 N 1.03 0.27 -7.18 0.00 5.85 -1.97 -3.43 115.31 109.88 1xsb h LEU 20 Ca -0.48 0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 1xsb h LEU 20 Cb 1.20 0.14 -0.13 0.00 0.37 0.00 0.00 40.66 42.24 1xsb h LEU 20 CO 0.63 0.01 0.08 0.27 -0.34 0.00 0.00 178.44 179.09 1xsb s ILE 21 N -5.93 0.03 0.67 4.05 -5.25 -1.26 -5.15 121.20 108.36 1xsb s ILE 21 Ca -0.12 -0.25 -0.16 0.00 -0.99 0.00 0.00 60.65 59.13 1xsb s ILE 21 Cb 0.24 -1.06 0.00 0.00 2.95 0.00 0.00 42.46 44.60 1xsb s ILE 21 CO 0.77 -0.14 1.19 -2.84 -1.79 0.00 0.00 174.94 172.13 1xsb s PRO 22 N -3.53 2.57 0.00 0.37 0.02 -1.26 -5.01 135.00 128.16 1xsb s PRO 22 Ca 0.01 1.71 0.00 0.00 0.02 0.00 0.00 61.00 62.73 1xsb s PRO 22 Cb 0.00 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.63 1xsb s PRO 22 CO -0.11 -1.49 0.00 1.63 -0.33 0.00 0.00 177.00 176.71 1xsb n LYS 23 N -2.25 0.00 0.00 5.54 4.01 -1.26 -4.78 118.16 119.42 1xsb n LYS 23 Ca 0.13 0.00 0.10 0.00 -0.51 0.00 0.00 58.31 58.03 1xsb n LYS 23 Cb 0.50 0.00 0.45 0.00 -0.51 0.00 0.00 35.03 35.47 1xsb n LYS 23 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1xsb n VAL 24 N -0.93 0.56 -3.00 -0.18 0.31 -1.26 -4.87 118.33 108.96 1xsb n VAL 24 Ca 0.00 0.14 -0.11 0.00 -0.01 0.00 0.00 64.34 64.35 1xsb n VAL 24 Cb 0.00 -0.78 0.04 0.00 -0.91 0.00 0.00 33.84 32.19 1xsb n VAL 24 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1xsb n ASP 25 N -1.51 -3.91 0.09 4.52 2.03 -1.26 -4.88 116.55 111.63 1xsb n ASP 25 Ca 0.05 -0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.09 1xsb n ASP 25 Cb 0.25 -2.70 0.00 0.00 -0.72 0.00 0.00 41.12 37.95 1xsb n ASP 25 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1xsb n ASN 26 N -0.83 -0.70 -2.42 1.67 5.15 -1.26 -4.93 115.26 111.93 1xsb n ASN 26 Ca -0.01 0.33 -0.33 0.00 -0.60 0.00 0.00 54.58 53.97 1xsb n ASN 26 Cb 0.53 0.81 0.05 0.00 -0.53 0.00 0.00 39.78 40.65 1xsb n ASN 26 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1xsb n ASN 27 N -3.02 6.89 -0.00 1.20 6.94 -1.26 -4.68 115.26 121.31 1xsb n ASN 27 Ca 0.00 -3.79 0.06 0.00 -0.02 0.00 0.00 54.58 50.83 1xsb n ASN 27 Cb 0.00 -0.83 0.45 0.00 -2.36 0.00 0.00 39.78 37.04 1xsb n ASN 27 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xsb h ALA 28 N 2.32 1.78 -3.91 -2.53 0.00 -1.95 -3.41 119.26 111.55 1xsb h ALA 28 Ca 0.53 -0.02 -0.69 0.00 0.00 0.00 0.00 54.91 54.73 1xsb h ALA 28 Cb 0.77 -0.14 -0.22 0.00 0.00 0.00 0.00 17.79 18.20 1xsb h ALA 28 CO 1.34 0.18 -0.75 0.42 0.00 0.00 0.00 179.25 180.44 1xsb s ILE 29 N -5.45 3.24 0.19 0.00 1.01 -1.26 -3.69 121.20 115.23 1xsb s ILE 29 Ca -0.08 -0.65 0.10 0.00 0.00 0.00 0.00 60.65 60.01 1xsb s ILE 29 Cb 0.18 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 1xsb s ILE 29 CO 0.73 0.59 -0.20 -1.61 0.00 0.00 0.00 174.94 174.46 1xsb s GLU 30 N -0.71 1.40 0.18 2.79 2.02 -1.13 -4.08 118.70 119.18 1xsb s GLU 30 Ca 0.11 -1.51 0.11 0.00 0.02 0.00 0.00 54.97 53.69 1xsb s GLU 30 Cb -0.11 -1.51 -0.04 0.00 0.10 0.00 0.00 34.13 32.57 1xsb s GLU 30 CO 0.01 0.30 -0.21 -0.06 0.02 0.00 0.00 175.26 175.32 1xsb s PHE 31 N -2.12 2.39 -0.06 1.61 0.08 -0.66 0.23 117.98 119.45 1xsb s PHE 31 Ca 0.20 -0.32 -0.28 0.00 0.12 0.00 0.00 56.93 56.65 1xsb s PHE 31 Cb -0.06 -1.19 -0.03 0.00 -0.57 0.00 0.00 43.02 41.18 1xsb s PHE 31 CO 0.09 0.48 0.89 -1.17 -0.10 0.00 0.00 175.22 175.41 1xsb s LEU 32 N -2.63 4.30 -0.06 -0.37 2.96 -0.75 -3.79 118.68 118.34 1xsb s LEU 32 Ca 0.21 1.44 0.02 0.00 -0.22 0.00 0.00 54.13 55.59 1xsb s LEU 32 Cb -0.08 -3.39 0.01 0.00 0.50 0.00 0.00 46.19 43.23 1xsb s LEU 32 CO 0.11 -0.28 -0.12 -0.76 -1.32 0.00 0.00 176.35 173.98 1xsb s LEU 33 N 1.31 1.66 -0.09 -0.68 1.43 -1.19 -4.48 118.68 116.64 1xsb s LEU 33 Ca 0.46 -0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 53.22 1xsb s LEU 33 Cb -0.19 -0.82 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 1xsb s LEU 33 CO 0.21 0.04 0.05 -0.76 0.23 0.00 0.00 176.35 176.13 1xsb s LEU 34 N 0.62 3.87 -0.27 1.79 1.43 -1.18 -1.96 118.68 122.98 1xsb s LEU 34 Ca -0.14 0.25 -0.15 0.00 -1.03 0.00 0.00 54.13 53.06 1xsb s LEU 34 Cb -0.15 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1xsb s LEU 34 CO 0.04 0.38 0.38 -1.58 0.23 0.00 0.00 176.35 175.80 1xsb s GLN 35 N -1.00 3.99 0.44 1.70 0.74 0.92 -2.36 119.66 124.09 1xsb s GLN 35 Ca 0.15 0.03 -0.25 0.00 0.05 0.00 0.00 55.36 55.34 1xsb s GLN 35 Cb -0.12 -3.67 -0.09 0.00 1.10 0.00 0.00 33.01 30.24 1xsb s GLN 35 CO 0.04 -0.30 1.25 0.00 -0.55 0.00 0.00 175.29 175.73 1xsb n ALA 36 N 5.35 1.22 1.39 1.58 0.00 -1.12 0.58 120.51 129.51 1xsb n ALA 36 Ca -0.08 0.23 0.14 0.00 0.00 0.00 0.00 53.44 53.73 1xsb n ALA 36 Cb 0.51 -2.26 0.60 0.00 0.00 0.00 0.00 19.45 18.30 1xsb n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xsb n SER 37 N 0.04 0.46 -4.25 0.00 3.41 0.43 -4.38 113.62 109.33 1xsb n SER 37 Ca 0.07 -0.54 -0.14 0.00 -0.26 0.00 0.00 58.87 58.01 1xsb n SER 37 Cb 0.41 -0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 64.18 1xsb n SER 37 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xsb s ASP 38 N -2.50 0.85 0.00 4.04 1.01 -1.26 -4.96 116.67 113.85 1xsb s ASP 38 Ca 0.28 -1.30 0.00 0.00 0.71 0.00 0.00 52.55 52.24 1xsb s ASP 38 Cb 0.20 0.21 0.00 0.00 1.01 0.00 0.00 42.92 44.34 1xsb s ASP 38 CO 0.48 -0.71 0.00 0.61 0.21 0.00 0.00 175.17 175.76 1xsb n GLY 39 N -0.31 -1.69 0.00 0.21 0.00 -1.26 -3.48 105.19 98.67 1xsb n GLY 39 Ca -0.02 -1.40 0.06 0.00 0.00 0.00 0.00 46.02 44.66 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 0.00 -2.92 -0.61 -5.35 -1.26 -4.80 119.36 104.43 1xsb n ILE 40 Ca 0.00 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.38 1xsb n ILE 40 Cb 0.00 -0.69 0.04 0.00 -1.74 0.00 0.00 39.64 37.24 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 -0.92 -1.21 -1.51 4.28 8.25 -1.23 -5.00 115.22 117.89 1xsb n HIS 41 Ca 0.09 0.44 -0.32 0.00 -0.26 0.00 0.00 57.72 57.67 1xsb n HIS 41 Cb 0.04 -2.87 0.07 0.00 1.12 0.00 0.00 29.99 28.35 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 -3.14 2.48 -0.16 4.41 -3.43 -1.26 -4.50 115.29 109.68 1xsb s HIS 42 Ca 0.21 1.57 -0.09 0.00 -0.80 0.00 0.00 55.06 55.95 1xsb s HIS 42 Cb -0.09 -3.18 -0.05 0.00 -1.43 0.00 0.00 32.58 27.83 1xsb s HIS 42 CO 0.32 -1.89 0.15 -1.58 -2.00 0.00 0.00 174.74 169.73 1xsb s TRP 43 N -2.49 3.50 -0.19 0.38 0.52 -1.24 -2.77 118.94 116.64 1xsb s TRP 43 Ca 0.66 0.44 -0.23 0.00 0.02 0.00 0.00 56.10 56.99 1xsb s TRP 43 Cb -0.21 -2.08 0.06 0.00 -1.15 0.00 0.00 33.47 30.09 1xsb s TRP 43 CO 0.47 0.48 0.62 0.95 0.02 0.00 0.00 176.95 179.49 1xsb s THR 44 N -0.24 0.00 0.95 2.01 -4.23 -1.00 -4.38 115.64 108.76 1xsb s THR 44 Ca 0.12 -0.02 -0.12 0.00 -1.18 0.00 0.00 61.69 60.48 1xsb s THR 44 Cb -0.12 -0.88 0.09 0.00 1.34 0.00 0.00 72.50 72.93 1xsb s THR 44 CO 0.01 -0.01 0.72 -2.65 -0.54 0.00 0.00 174.62 172.15 1xsb n PRO 45 N 2.35 -0.49 -1.42 3.99 -0.02 -1.26 -3.08 135.00 135.07 1xsb n PRO 45 Ca -0.15 -0.09 -0.49 0.00 -2.02 0.00 0.00 63.50 60.75 1xsb n PRO 45 Cb 0.56 -2.08 -0.10 0.00 -0.02 0.00 0.00 33.50 31.86 1xsb n PRO 45 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1xsb n PRO 46 N -2.89 0.55 -4.10 0.52 -0.02 -1.26 -4.78 135.00 123.02 1xsb n PRO 46 Ca 0.09 0.12 -0.36 0.00 -2.02 0.00 0.00 63.50 61.32 1xsb n PRO 46 Cb 0.53 -2.12 -0.08 0.00 -0.02 0.00 0.00 33.50 31.82 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 7.05 3.28 0.32 -0.52 1.02 -1.26 -2.55 119.74 127.08 1xsb s LYS 47 Ca 1.17 -0.27 -0.05 0.00 0.02 0.00 0.00 55.97 56.85 1xsb s LYS 47 Cb -1.03 -3.02 0.00 0.00 -0.52 0.00 0.00 37.83 33.26 1xsb s LYS 47 CO 0.51 0.71 0.47 0.20 -0.92 0.00 0.00 175.35 176.31 1xsb s GLY 48 N -0.86 1.26 -0.07 -3.33 0.00 -1.21 -4.99 107.32 98.11 1xsb s GLY 48 Ca 0.13 -1.38 0.01 0.00 0.00 0.00 0.00 44.72 43.49 1xsb s GLY 48 CO 0.03 -0.92 -0.10 0.30 0.00 0.00 0.00 173.10 172.41 1xsb s HIS 49 N -3.26 2.86 0.07 1.90 3.76 -1.26 -2.61 115.29 116.74 1xsb s HIS 49 Ca 0.29 -0.13 -0.21 0.00 -0.15 0.00 0.00 55.06 54.86 1xsb s HIS 49 Cb -0.00 -1.72 -0.06 0.00 1.11 0.00 0.00 32.58 31.91 1xsb s HIS 49 CO 0.17 0.20 0.62 0.54 -0.85 0.00 0.00 174.74 175.43 1xsb s VAL 50 N -0.58 4.72 0.30 -0.90 0.11 -1.24 -4.90 120.40 117.91 1xsb s VAL 50 Ca 0.08 1.33 -0.05 0.00 -2.93 0.00 0.00 61.98 60.42 1xsb s VAL 50 Cb -0.12 -3.96 0.07 0.00 -1.53 0.00 0.00 36.38 30.85 1xsb s VAL 50 CO 0.02 0.50 0.29 1.21 -3.33 0.00 0.00 175.10 173.79 1xsb n GLU 51 N 2.02 -1.29 0.00 1.54 4.07 -1.26 -4.92 120.64 120.80 1xsb n GLU 51 Ca -0.08 -0.47 0.00 0.00 -0.06 0.00 0.00 57.16 56.55 1xsb n GLU 51 Cb 0.50 -0.40 0.00 0.00 -0.06 0.00 0.00 31.44 31.48 1xsb n GLU 51 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1xsb n PRO 52 N -2.22 0.00 0.00 5.31 -0.04 -1.26 -3.76 135.00 133.03 1xsb n PRO 52 Ca 0.04 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 1xsb n PRO 52 Cb 0.15 -0.96 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 1xsb n PRO 52 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xsb n GLY 53 N 1.29 0.09 3.84 0.55 0.00 -1.26 -4.81 105.19 104.88 1xsb n GLY 53 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.56 4.10 0.77 1.61 2.12 -1.25 -5.05 118.70 119.45 1xsb s GLU 54 Ca 0.00 0.83 -0.11 0.00 0.36 0.00 0.00 54.97 56.05 1xsb s GLU 54 Cb 0.00 -2.40 0.05 0.00 0.26 0.00 0.00 34.13 32.04 1xsb s GLU 54 CO 0.00 0.13 1.08 0.34 -0.54 0.00 0.00 175.26 176.27 1xsb s ASP 55 N -2.18 4.67 -0.08 -1.70 3.68 -1.26 -4.75 116.67 115.04 1xsb s ASP 55 Ca 0.55 1.52 -0.14 0.00 2.13 0.00 0.00 52.55 56.61 1xsb s ASP 55 Cb -0.11 -2.29 -0.11 0.00 -1.45 0.00 0.00 42.92 38.96 1xsb s ASP 55 CO 0.17 -1.89 0.52 0.44 0.13 0.00 0.00 175.17 174.54 1xsb h ASP 56 N -1.03 -0.14 -0.56 -0.34 3.32 -1.96 -3.04 116.42 112.67 1xsb h ASP 56 Ca -0.46 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 56.27 1xsb h ASP 56 Cb 1.24 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.80 1xsb h ASP 56 CO 0.56 0.46 0.22 0.25 -1.72 0.00 0.00 179.24 179.01 1xsb h LEU 57 N -0.98 0.78 -1.00 1.55 5.85 -1.97 -2.41 115.31 117.14 1xsb h LEU 57 Ca -0.02 -0.18 0.15 0.00 0.84 0.00 0.00 57.88 58.68 1xsb h LEU 57 Cb 0.41 -0.20 -0.09 0.00 0.37 0.00 0.00 40.66 41.15 1xsb h LEU 57 CO 0.03 0.75 0.62 -0.33 -0.34 0.00 0.00 178.44 179.16 1xsb h GLU 58 N 0.77 0.86 -0.84 1.25 3.07 -1.97 0.51 114.58 118.24 1xsb h GLU 58 Ca 0.19 -0.05 0.03 0.00 -0.50 0.00 0.00 59.36 59.03 1xsb h GLU 58 Cb 0.21 -0.19 -0.05 0.00 -0.84 0.00 0.00 28.75 27.88 1xsb h GLU 58 CO -0.01 0.57 0.54 1.15 -1.40 0.00 0.00 179.01 179.85 1xsb h THR 59 N 0.88 1.13 -0.51 1.13 2.02 -1.31 0.98 112.91 117.24 1xsb h THR 59 Ca 0.53 -0.36 -0.06 0.00 0.77 0.00 0.00 66.41 67.29 1xsb h THR 59 Cb 0.67 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1xsb h THR 59 CO -0.32 0.19 0.06 0.00 0.37 0.00 0.00 175.52 175.83 1xsb h ALA 60 N 1.35 0.68 0.26 6.16 0.00 -0.05 0.12 119.26 127.78 1xsb h ALA 60 Ca 0.34 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1xsb h ALA 60 Cb 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1xsb h ALA 60 CO -0.12 0.43 -0.12 -0.07 0.00 0.00 0.00 179.25 179.37 1xsb h LEU 61 N 0.73 -0.30 -0.86 0.00 3.38 0.14 0.59 115.31 118.99 1xsb h LEU 61 Ca 0.15 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1xsb h LEU 61 Cb 0.43 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1xsb h LEU 61 CO 0.01 -0.19 0.57 -0.09 0.09 0.00 0.00 178.44 178.84 1xsb h ARG 62 N -0.38 1.14 -0.12 1.13 2.43 0.11 -1.99 114.38 116.70 1xsb h ARG 62 Ca -0.04 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 58.92 1xsb h ARG 62 Cb 0.29 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1xsb h ARG 62 CO 0.06 0.75 -0.56 0.00 -1.51 0.00 0.00 179.97 178.71 1xsb h ALA 63 N 1.32 0.81 -0.29 2.80 0.00 -0.48 -1.04 119.26 122.39 1xsb h ALA 63 Ca 0.32 -0.52 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1xsb h ALA 63 Cb -0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1xsb h ALA 63 CO -0.07 0.70 0.14 1.15 0.00 0.00 0.00 179.25 181.17 1xsb h THR 64 N 0.28 0.99 0.21 0.00 2.02 0.93 0.91 112.91 118.26 1xsb h THR 64 Ca 0.00 -0.10 -0.32 0.00 0.77 0.00 0.00 66.41 66.76 1xsb h THR 64 Cb 1.07 0.67 0.03 0.00 -1.74 0.00 0.00 68.15 68.17 1xsb h THR 64 CO 0.09 0.05 -1.41 -0.61 0.37 0.00 0.00 175.52 174.02 1xsb h GLN 65 N 0.30 0.45 -0.83 6.66 4.15 -0.17 0.17 115.11 125.84 1xsb h GLN 65 Ca 0.12 -0.77 -0.03 0.00 0.77 0.00 0.00 58.65 58.73 1xsb h GLN 65 Cb 0.03 0.29 -0.04 0.00 0.21 0.00 0.00 27.48 27.97 1xsb h GLN 65 CO -0.08 1.37 0.39 0.93 -1.93 0.00 0.00 178.83 179.51 1xsb h GLU 66 N 0.12 1.20 -0.02 1.69 4.39 -1.07 2.90 114.58 123.80 1xsb h GLU 66 Ca -0.22 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1xsb h GLU 66 Cb 2.11 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 30.54 1xsb h GLU 66 CO 0.25 0.93 -0.14 0.39 -1.16 0.00 0.00 179.01 179.28 1xsb n GLU 67 N -4.30 1.80 0.00 2.33 1.02 0.30 -4.12 120.64 117.67 1xsb n GLU 67 Ca 0.08 -1.52 0.00 0.00 -0.02 0.00 0.00 57.16 55.70 1xsb n GLU 67 Cb 0.15 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 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 0.81 0.36 -0.07 0.62 0.00 0.95 -4.08 120.51 119.11 1xsb n ALA 68 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1xsb n ALA 68 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 0.18 1.44 3.72 0.00 0.00 0.97 0.51 105.19 112.00 1xsb n GLY 69 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.59 5.37 0.42 -0.61 1.01 -1.21 -4.73 121.20 118.87 1xsb s ILE 70 Ca 0.00 0.29 0.07 0.00 0.00 0.00 0.00 60.65 61.01 1xsb s ILE 70 Cb 0.00 -3.52 -0.06 0.00 0.01 0.00 0.00 42.46 38.89 1xsb s ILE 70 CO 0.00 0.41 0.12 -1.83 0.00 0.00 0.00 174.94 173.64 1xsb s GLU 71 N 0.48 2.13 0.36 2.79 -1.05 -1.26 -0.19 118.70 121.96 1xsb s GLU 71 Ca 0.10 -1.96 0.13 0.00 -0.15 0.00 0.00 54.97 53.10 1xsb s GLU 71 Cb -0.12 -1.85 0.97 0.00 -0.44 0.00 0.00 34.13 32.69 1xsb s GLU 71 CO 0.00 -0.11 1.77 0.00 0.95 0.00 0.00 175.26 177.88 1xsb h ALA 72 N 1.54 1.99 -0.01 -0.84 0.00 -1.87 2.16 119.26 122.23 1xsb h ALA 72 Ca -0.43 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1xsb h ALA 72 Cb 1.25 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1xsb h ALA 72 CO 0.74 -0.40 0.02 0.78 0.00 0.00 0.00 179.25 180.39 1xsb h GLY 73 N 0.53 0.00 -0.38 0.00 0.00 -1.99 -0.78 103.07 100.45 1xsb h GLY 73 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.92 1xsb h GLY 73 CO -0.35 0.00 -0.64 -1.06 0.00 0.00 0.00 176.54 174.49 1xsb n GLN 74 N -3.54 1.31 -1.84 4.80 6.02 0.71 -4.99 117.38 119.86 1xsb n GLN 74 Ca -0.03 -0.39 0.00 0.00 -0.01 0.00 0.00 57.00 56.57 1xsb n GLN 74 Cb 0.10 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 30.02 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 -0.82 0.00 -3.63 1.08 -0.00 -0.06 -1.51 117.00 112.06 1xsb n LEU 75 Ca 0.05 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.78 1xsb n LEU 75 Cb 0.33 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.59 1xsb n LEU 75 CO 0.30 0.00 -0.34 -0.89 -0.00 0.00 0.00 177.39 176.47 1xsb s THR 76 N -1.25 0.16 0.04 1.47 2.01 0.21 -4.79 115.64 113.48 1xsb s THR 76 Ca 0.00 -0.60 -0.31 0.00 0.31 0.00 0.00 61.69 61.10 1xsb s THR 76 Cb 0.00 -0.94 -0.06 0.00 0.01 0.00 0.00 72.50 71.52 1xsb s THR 76 CO 0.00 -0.47 1.26 -0.63 -0.69 0.00 0.00 174.62 174.09 1xsb s ILE 77 N 2.01 3.90 0.08 1.82 -1.09 -1.26 -2.08 121.20 124.57 1xsb s ILE 77 Ca 0.05 1.34 -0.20 0.00 -2.23 0.00 0.00 60.65 59.60 1xsb s ILE 77 Cb -0.16 -3.86 -0.07 0.00 -1.58 0.00 0.00 42.46 36.79 1xsb s ILE 77 CO -0.20 0.07 0.59 -0.63 -1.23 0.00 0.00 174.94 173.54 1xsb s ILE 78 N 1.43 4.71 0.09 2.92 1.09 0.73 -4.98 121.20 127.19 1xsb s ILE 78 Ca 0.60 1.27 0.01 0.00 -1.10 0.00 0.00 60.65 61.43 1xsb s ILE 78 Cb -0.30 -3.93 -0.04 0.00 -1.06 0.00 0.00 42.46 37.13 1xsb s ILE 78 CO 0.28 0.54 0.24 -1.61 -0.10 0.00 0.00 174.94 174.29 1xsb s GLU 79 N -1.04 3.44 0.00 2.79 2.02 -1.26 -4.36 118.70 120.29 1xsb s GLU 79 Ca 0.30 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.80 1xsb s GLU 79 Cb -0.20 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 31.02 1xsb s GLU 79 CO 0.20 0.58 0.00 0.41 0.02 0.00 0.00 175.26 176.46 1xsb n GLY 80 N 0.00 3.01 3.49 -1.39 0.00 -1.26 -5.03 105.19 104.01 1xsb n GLY 80 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.77 3.12 -0.16 1.61 2.19 -1.26 -5.07 117.98 115.63 1xsb s PHE 81 Ca 0.00 -0.29 -0.08 0.00 0.33 0.00 0.00 56.93 56.89 1xsb s PHE 81 Cb 0.00 -2.18 0.06 0.00 -1.31 0.00 0.00 43.02 39.59 1xsb s PHE 81 CO 0.00 -0.22 0.38 0.21 1.83 0.00 0.00 175.22 177.43 1xsb s LYS 82 N 1.25 0.34 -0.24 10.12 2.20 -1.26 -4.65 119.74 127.50 1xsb s LYS 82 Ca 0.05 0.80 -0.20 0.00 -0.36 0.00 0.00 55.97 56.26 1xsb s LYS 82 Cb -0.15 0.02 0.07 0.00 -1.51 0.00 0.00 37.83 36.26 1xsb s LYS 82 CO 0.03 -0.18 0.63 0.50 -0.36 0.00 0.00 175.35 175.97 1xsb s ARG 83 N 1.65 0.70 -0.02 4.03 6.06 -1.25 -5.01 118.95 125.11 1xsb s ARG 83 Ca -0.08 0.94 0.06 0.00 -2.50 0.00 0.00 55.73 54.16 1xsb s ARG 83 Cb -0.09 0.28 -0.03 0.00 0.06 0.00 0.00 34.95 35.17 1xsb s ARG 83 CO -0.12 -0.11 -0.19 -1.83 -2.50 0.00 0.00 175.30 170.55 1xsb s GLU 84 N 0.69 2.26 -0.32 5.12 1.03 -1.23 -0.81 118.70 125.44 1xsb s GLU 84 Ca -0.03 -0.84 -0.15 0.00 0.03 0.00 0.00 54.97 53.98 1xsb s GLU 84 Cb -0.05 -2.21 -0.02 0.00 -0.80 0.00 0.00 34.13 31.05 1xsb s GLU 84 CO -0.05 0.58 0.35 -0.51 -1.33 0.00 0.00 175.26 174.31 1xsb s LEU 85 N -0.84 4.29 -0.20 1.83 1.43 0.39 -4.71 118.68 120.87 1xsb s LEU 85 Ca 0.12 -0.07 -0.04 0.00 -1.03 0.00 0.00 54.13 53.11 1xsb s LEU 85 Cb -0.10 -2.35 -0.02 0.00 0.03 0.00 0.00 46.19 43.75 1xsb s LEU 85 CO 0.01 -0.27 -0.04 0.20 0.23 0.00 0.00 176.35 176.48 1xsb s ASN 86 N 1.71 4.47 -0.01 2.29 0.02 -1.25 -1.10 114.94 121.07 1xsb s ASN 86 Ca 0.12 -0.31 -0.28 0.00 -1.02 0.00 0.00 52.86 51.38 1xsb s ASN 86 Cb -0.16 -1.76 0.10 0.00 0.02 0.00 0.00 41.25 39.45 1xsb s ASN 86 CO 0.11 0.04 0.82 -0.72 0.02 0.00 0.00 177.10 177.38 1xsb s TYR 87 N 1.12 -0.44 -0.40 2.20 -0.85 -1.12 -4.92 117.35 112.94 1xsb s TYR 87 Ca 0.02 0.47 -0.04 0.00 -0.52 0.00 0.00 57.07 56.99 1xsb s TYR 87 Cb -0.15 0.50 0.10 0.00 0.38 0.00 0.00 41.96 42.80 1xsb s TYR 87 CO -0.00 -0.57 0.20 0.54 -1.52 0.00 0.00 175.55 174.20 1xsb s VAL 88 N -2.50 3.51 0.00 -3.49 0.11 -1.26 -0.90 120.40 115.87 1xsb s VAL 88 Ca 0.00 -1.83 0.00 0.00 -2.93 0.00 0.00 61.98 57.22 1xsb s VAL 88 Cb -0.01 -3.30 0.00 0.00 -1.53 0.00 0.00 36.38 31.54 1xsb s VAL 88 CO -0.04 -0.60 0.02 0.00 -3.33 0.00 0.00 175.10 171.15 1xsb n ALA 89 N 4.69 0.00 0.19 1.54 0.00 -1.25 -4.56 120.51 121.13 1xsb n ALA 89 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.22 1xsb n ALA 89 Cb 0.42 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.78 1xsb n ALA 89 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1xsb h ARG 90 N 0.00 -0.79 0.00 0.00 2.43 -2.05 -3.43 114.38 110.54 1xsb h ARG 90 Ca 0.00 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1xsb h ARG 90 Cb 0.00 0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1xsb h ARG 90 CO 0.00 -0.53 -0.00 -1.71 -1.51 0.00 0.00 179.97 176.22 1xsb n ASN 91 N -5.51 -0.01 -3.71 -3.80 2.85 -1.26 -5.13 115.26 98.69 1xsb n ASN 91 Ca -0.10 -0.03 -0.16 0.00 -0.11 0.00 0.00 54.58 54.18 1xsb n ASN 91 Cb 0.42 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.28 1xsb n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1xsb s LYS 92 N 0.00 0.02 -0.07 1.20 2.47 -1.26 -4.80 119.74 117.31 1xsb s LYS 92 Ca 0.00 0.40 -0.30 0.00 -1.56 0.00 0.00 55.97 54.51 1xsb s LYS 92 Cb 0.00 -0.27 -0.03 0.00 -1.46 0.00 0.00 37.83 36.06 1xsb s LYS 92 CO 0.00 -0.24 1.27 -1.25 0.16 0.00 0.00 175.35 175.29 1xsb s PRO 93 N 1.67 4.31 -0.13 4.03 0.04 -1.26 -3.80 135.00 139.85 1xsb s PRO 93 Ca -0.03 1.74 -0.01 0.00 0.04 0.00 0.00 61.00 62.74 1xsb s PRO 93 Cb -0.12 -3.62 -0.02 0.00 0.04 0.00 0.00 34.50 30.79 1xsb s PRO 93 CO -0.05 -0.54 -0.11 0.15 0.04 0.00 0.00 177.00 176.49 1xsb s LYS 94 N 2.57 3.42 -0.33 4.56 1.02 -0.08 0.64 119.74 131.54 1xsb s LYS 94 Ca 0.58 -0.65 -0.17 0.00 0.02 0.00 0.00 55.97 55.75 1xsb s LYS 94 Cb -0.26 -2.68 -0.01 0.00 -0.52 0.00 0.00 37.83 34.36 1xsb s LYS 94 CO 0.21 0.23 0.45 0.99 -0.92 0.00 0.00 175.35 176.31 1xsb s THR 95 N 0.32 5.09 -0.22 2.17 2.01 -0.44 -2.78 115.64 121.79 1xsb s THR 95 Ca -0.09 0.29 -0.04 0.00 0.31 0.00 0.00 61.69 62.15 1xsb s THR 95 Cb -0.15 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.47 1xsb s THR 95 CO 0.05 -0.12 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.13 1xsb s VAL 96 N 2.22 3.37 -0.21 3.82 1.01 -0.25 -0.83 120.40 129.53 1xsb s VAL 96 Ca 0.16 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 61.47 1xsb s VAL 96 Cb -0.16 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1xsb s VAL 96 CO 0.12 0.40 0.31 -0.63 0.00 0.00 0.00 175.10 175.30 1xsb s ILE 97 N 1.47 5.26 -0.13 2.22 -1.09 -1.03 0.15 121.20 128.06 1xsb s ILE 97 Ca 0.05 0.52 -0.00 0.00 -2.23 0.00 0.00 60.65 58.98 1xsb s ILE 97 Cb -0.14 -3.64 -0.02 0.00 -1.58 0.00 0.00 42.46 37.08 1xsb s ILE 97 CO -0.03 0.30 -0.11 -0.31 -1.23 0.00 0.00 174.94 173.56 1xsb s TYR 98 N 1.12 2.85 -0.00 3.97 2.02 0.01 -2.45 117.35 124.87 1xsb s TYR 98 Ca 0.15 -0.51 0.04 0.00 -0.37 0.00 0.00 57.07 56.37 1xsb s TYR 98 Cb -0.14 -1.84 -0.03 0.00 -0.40 0.00 0.00 41.96 39.55 1xsb s TYR 98 CO 0.06 -0.13 -0.10 -1.58 -1.57 0.00 0.00 175.55 172.23 1xsb s TRP 99 N 0.22 2.79 0.23 2.71 0.51 -1.25 -3.84 118.94 120.31 1xsb s TRP 99 Ca -0.07 -0.10 -0.30 0.00 -2.12 0.00 0.00 56.10 53.51 1xsb s TRP 99 Cb -0.15 -1.59 -0.09 0.00 -0.81 0.00 0.00 33.47 30.83 1xsb s TRP 99 CO 0.05 0.31 1.01 -0.51 -0.51 0.00 0.00 176.95 177.30 1xsb s LEU 100 N -1.24 4.58 0.05 2.99 1.43 -1.25 -1.40 118.68 123.84 1xsb s LEU 100 Ca 0.15 2.05 0.01 0.00 -1.03 0.00 0.00 54.13 55.32 1xsb s LEU 100 Cb -0.11 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 1xsb s LEU 100 CO 0.05 -0.01 -0.06 0.00 0.23 0.00 0.00 176.35 176.56 1xsb s ALA 101 N -0.93 0.59 -0.13 4.21 0.00 0.26 -0.19 121.76 125.57 1xsb s ALA 101 Ca 0.44 -0.93 -0.00 0.00 0.00 0.00 0.00 51.96 51.47 1xsb s ALA 101 Cb -0.28 0.12 0.03 0.00 0.00 0.00 0.00 23.12 22.98 1xsb s ALA 101 CO 0.35 -0.13 -0.07 -2.00 0.00 0.00 0.00 175.76 173.90 1xsb s GLU 102 N -2.36 1.50 0.12 0.00 2.12 -0.88 0.44 118.70 119.62 1xsb s GLU 102 Ca -0.04 -0.32 -0.30 0.00 0.36 0.00 0.00 54.97 54.67 1xsb s GLU 102 Cb -0.04 -1.70 -0.06 0.00 0.26 0.00 0.00 34.13 32.59 1xsb s GLU 102 CO -0.02 -0.31 1.02 0.14 -0.54 0.00 0.00 175.26 175.55 1xsb s VAL 103 N 1.69 4.31 0.25 3.70 -7.23 -1.26 -0.62 120.40 121.23 1xsb s VAL 103 Ca 0.04 1.89 -0.06 0.00 -1.81 0.00 0.00 61.98 62.03 1xsb s VAL 103 Cb -0.13 -4.21 0.25 0.00 0.56 0.00 0.00 36.38 32.85 1xsb s VAL 103 CO -0.08 0.27 1.91 0.11 -0.31 0.00 0.00 175.10 177.00 1xsb h LYS 104 N 5.65 1.31 -5.57 4.82 1.79 -1.60 -3.42 116.57 119.55 1xsb h LYS 104 Ca -0.43 -0.10 -0.64 0.00 -2.18 0.00 0.00 60.65 57.30 1xsb h LYS 104 Cb 1.21 -0.29 -0.08 0.00 -1.58 0.00 0.00 32.23 31.49 1xsb h LYS 104 CO 0.73 0.89 -0.44 0.34 -1.08 0.00 0.00 179.45 179.89 1xsb s ASP 105 N -6.15 6.39 0.21 0.86 3.68 -1.26 -4.96 116.67 115.44 1xsb s ASP 105 Ca -0.13 0.46 -0.06 0.00 2.13 0.00 0.00 52.55 54.95 1xsb s ASP 105 Cb 0.18 -2.11 0.17 0.00 -1.45 0.00 0.00 42.92 39.71 1xsb s ASP 105 CO 0.82 0.31 1.68 0.22 0.13 0.00 0.00 175.17 178.34 1xsb h TYR 106 N 5.55 1.04 -0.57 -5.34 3.20 -2.00 -1.90 116.97 116.95 1xsb h TYR 106 Ca -0.50 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.20 1xsb h TYR 106 Cb 1.20 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.20 1xsb h TYR 106 CO 0.69 0.94 0.00 -0.25 -1.64 0.00 0.00 178.16 177.90 1xsb n ASP 107 N -4.18 5.27 -3.64 -2.11 8.00 -1.26 -5.00 116.55 113.62 1xsb n ASP 107 Ca 0.03 -2.75 -0.33 0.00 0.71 0.00 0.00 54.79 52.44 1xsb n ASP 107 Cb 0.34 -0.65 0.01 0.00 -0.02 0.00 0.00 41.12 40.80 1xsb n ASP 107 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1xsb n VAL 108 N 0.75 0.00 -2.09 2.53 3.14 -0.72 -4.77 118.33 117.17 1xsb n VAL 108 Ca 0.26 -0.43 -0.37 0.00 -2.96 0.00 0.00 64.34 60.84 1xsb n VAL 108 Cb 1.07 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.86 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 -0.99 3.50 -0.20 1.45 -1.05 -1.26 -5.01 118.70 115.14 1xsb s GLU 109 Ca 0.47 1.92 0.01 0.00 -0.15 0.00 0.00 54.97 57.22 1xsb s GLU 109 Cb -0.39 -2.32 0.04 0.00 -0.44 0.00 0.00 34.13 31.02 1xsb s GLU 109 CO 0.59 -0.80 -0.11 0.42 0.95 0.00 0.00 175.26 176.31 1xsb s ILE 110 N -1.48 1.70 -0.30 1.83 -1.09 -1.25 -4.40 121.20 116.21 1xsb s ILE 110 Ca 0.67 -1.04 -0.06 0.00 -2.23 0.00 0.00 60.65 57.99 1xsb s ILE 110 Cb -0.32 -1.76 0.02 0.00 -1.58 0.00 0.00 42.46 38.81 1xsb s ILE 110 CO 0.39 0.18 0.07 -0.13 -1.23 0.00 0.00 174.94 174.21 1xsb s ARG 111 N 1.37 2.98 -0.15 2.79 0.52 1.91 -4.87 118.95 123.49 1xsb s ARG 111 Ca -0.01 -0.93 -0.08 0.00 -0.52 0.00 0.00 55.73 54.19 1xsb s ARG 111 Cb -0.16 -3.35 -0.04 0.00 0.52 0.00 0.00 34.95 31.91 1xsb s ARG 111 CO -0.08 -0.48 0.13 -0.51 0.02 0.00 0.00 175.30 174.38 1xsb s LEU 112 N 1.46 4.29 0.63 2.53 1.43 -1.26 -0.03 118.68 127.73 1xsb s LEU 112 Ca 0.02 0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 53.46 1xsb s LEU 112 Cb -0.18 -2.06 0.05 0.00 0.03 0.00 0.00 46.19 44.03 1xsb s LEU 112 CO 0.02 0.33 0.90 -0.94 0.23 0.00 0.00 176.35 176.89 1xsb s SER 113 N -0.55 4.99 0.51 2.29 1.04 -1.26 -4.84 113.70 115.87 1xsb s SER 113 Ca 0.12 0.15 0.34 0.00 0.48 0.00 0.00 55.95 57.05 1xsb s SER 113 Cb -0.12 -0.89 1.48 0.00 0.10 0.00 0.00 66.02 66.59 1xsb s SER 113 CO 0.02 -1.40 1.75 0.45 0.98 0.00 0.00 173.24 175.04 1xsb h HIS 114 N -0.27 0.18 -0.50 5.02 -0.00 -1.98 1.00 115.15 118.59 1xsb h HIS 114 Ca -0.43 0.01 0.07 0.00 -0.00 0.00 0.00 60.37 60.02 1xsb h HIS 114 Cb 1.30 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 28.63 1xsb h HIS 114 CO 0.29 -0.01 0.33 1.49 -0.00 0.00 0.00 177.93 180.04 1xsb h GLU 115 N 0.08 0.37 -6.47 2.45 4.57 -1.96 -3.38 114.58 110.25 1xsb h GLU 115 Ca 0.64 -0.02 -0.64 0.00 -1.18 0.00 0.00 59.36 58.16 1xsb h GLU 115 Cb 2.35 -0.08 -0.26 0.00 -0.16 0.00 0.00 28.75 30.60 1xsb h GLU 115 CO -0.10 0.25 -0.86 -1.01 -1.18 0.00 0.00 179.01 176.10 1xsb s HIS 116 N -5.36 2.10 -0.08 0.92 3.76 0.34 -0.43 115.29 116.54 1xsb s HIS 116 Ca -0.07 -0.40 0.07 0.00 -0.15 0.00 0.00 55.06 54.52 1xsb s HIS 116 Cb 0.19 -1.24 -0.10 0.00 1.11 0.00 0.00 32.58 32.54 1xsb s HIS 116 CO 0.74 0.13 0.03 0.00 -0.85 0.00 0.00 174.74 174.79 1xsb n GLN 117 N 1.70 2.57 -3.70 1.40 10.64 0.20 -4.12 117.38 126.08 1xsb n GLN 117 Ca -0.17 -0.01 -0.12 0.00 -1.83 0.00 0.00 57.00 54.87 1xsb n GLN 117 Cb 0.53 -1.21 -0.07 0.00 -0.86 0.00 0.00 30.24 28.63 1xsb n GLN 117 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1xsb s ALA 118 N -2.21 -0.85 0.14 2.61 0.00 -1.22 -4.96 121.76 115.25 1xsb s ALA 118 Ca -0.04 0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.08 1xsb s ALA 118 Cb 0.03 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 1xsb s ALA 118 CO 0.34 -0.46 -0.08 1.52 0.00 0.00 0.00 175.76 177.08 1xsb s TYR 119 N -2.70 1.16 0.01 0.00 1.13 -1.26 0.31 117.35 116.00 1xsb s TYR 119 Ca -0.04 -0.82 -0.03 0.00 -1.41 0.00 0.00 57.07 54.77 1xsb s TYR 119 Cb -0.00 -0.61 -0.01 0.00 -1.10 0.00 0.00 41.96 40.23 1xsb s TYR 119 CO -0.04 -0.00 0.05 1.03 -2.51 0.00 0.00 175.55 174.08 1xsb s ARG 120 N -3.78 0.36 -0.41 -3.49 0.52 -0.83 -4.97 118.95 106.36 1xsb s ARG 120 Ca 0.16 -0.46 -0.11 0.00 -0.52 0.00 0.00 55.73 54.80 1xsb s ARG 120 Cb 0.04 0.14 0.05 0.00 0.52 0.00 0.00 34.95 35.70 1xsb s ARG 120 CO -0.01 -0.07 0.27 -1.58 0.02 0.00 0.00 175.30 173.92 1xsb s TRP 121 N -1.29 3.27 0.39 -0.53 0.52 -1.26 -3.16 118.94 116.88 1xsb s TRP 121 Ca -0.14 -1.12 0.04 0.00 0.02 0.00 0.00 56.10 54.89 1xsb s TRP 121 Cb -0.08 -2.75 -0.03 0.00 -1.15 0.00 0.00 33.47 29.45 1xsb s TRP 121 CO 0.00 -0.74 0.11 -0.51 0.02 0.00 0.00 176.95 175.83 1xsb s LEU 122 N 1.54 2.03 0.00 2.99 1.02 -1.25 -4.94 118.68 120.06 1xsb s LEU 122 Ca 0.03 -1.60 -0.07 0.00 0.02 0.00 0.00 54.13 52.51 1xsb s LEU 122 Cb -0.21 -0.18 0.15 0.00 0.02 0.00 0.00 46.19 45.96 1xsb s LEU 122 CO 0.05 -0.85 0.92 0.61 0.02 0.00 0.00 176.35 177.10 1xsb n GLY 123 N -0.86 -0.49 0.34 -3.19 0.00 -1.26 -1.66 105.19 98.08 1xsb n GLY 123 Ca -0.05 -1.84 -0.01 0.00 0.00 0.00 0.00 46.02 44.11 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 0.58 0.99 5.85 -1.89 -0.48 115.31 121.34 1xsb h LEU 124 Ca -0.30 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 1xsb h LEU 124 Cb 0.94 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 1xsb h LEU 124 CO 0.25 0.68 -0.33 1.05 -0.34 0.00 0.00 178.44 179.75 1xsb h GLU 125 N 1.15 -0.82 -0.52 1.25 4.11 -1.94 0.49 114.58 118.30 1xsb h GLU 125 Ca 0.36 0.06 -0.07 0.00 0.07 0.00 0.00 59.36 59.78 1xsb h GLU 125 Cb -0.01 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1xsb h GLU 125 CO -0.11 -0.55 0.05 0.93 0.07 0.00 0.00 179.01 179.40 1xsb h GLU 126 N -0.86 0.88 -0.19 1.06 4.39 -1.91 0.22 114.58 118.19 1xsb h GLU 126 Ca -0.07 -0.25 0.05 0.00 0.34 0.00 0.00 59.36 59.43 1xsb h GLU 126 Cb 0.68 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1xsb h GLU 126 CO 0.09 0.88 0.17 0.00 -1.16 0.00 0.00 179.01 178.99 1xsb h ALA 127 N 0.97 1.95 0.08 3.43 0.00 -0.90 0.74 119.26 125.52 1xsb h ALA 127 Ca 0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1xsb h ALA 127 Cb 0.45 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1xsb h ALA 127 CO 0.02 -0.26 -0.04 0.00 0.00 0.00 0.00 179.25 178.96 1xsb h GLN 129 N -0.96 0.24 -0.36 0.00 3.07 -0.27 -1.41 115.11 115.43 1xsb h GLN 129 Ca -0.01 -0.01 0.04 0.00 0.09 0.00 0.00 58.65 58.75 1xsb h GLN 129 Cb 0.48 -0.05 -0.04 0.00 0.08 0.00 0.00 27.48 27.95 1xsb h GLN 129 CO 0.02 0.16 0.14 -0.07 0.09 0.00 0.00 178.83 179.17 1xsb h LEU 130 N 0.25 0.18 -4.32 0.06 3.38 0.36 -1.32 115.31 113.90 1xsb h LEU 130 Ca 0.10 0.03 -0.34 0.00 0.09 0.00 0.00 57.88 57.76 1xsb h LEU 130 Cb 0.03 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1xsb h LEU 130 CO -0.07 0.14 0.83 0.00 0.09 0.00 0.00 178.44 179.43 1xsb n ALA 131 N -2.31 6.71 -0.44 1.53 0.00 0.74 -3.73 120.51 123.02 1xsb n ALA 131 Ca 0.01 -2.38 0.36 0.00 0.00 0.00 0.00 53.44 51.43 1xsb n ALA 131 Cb 0.11 -2.60 0.60 0.00 0.00 0.00 0.00 19.45 17.56 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 2.70 -0.03 -1.70 0.00 0.00 -0.50 -3.58 117.38 114.28 1xsb n GLN 132 Ca 0.53 1.06 -0.42 0.00 0.00 0.00 0.00 57.00 58.17 1xsb n GLN 132 Cb 0.71 -2.14 -0.03 0.00 0.00 0.00 0.00 30.24 28.78 1xsb n GLN 132 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1xsb n PHE 133 N -4.32 2.68 -0.29 2.61 3.01 -1.26 -4.84 117.46 115.05 1xsb n PHE 133 Ca 0.35 -0.11 0.03 0.00 1.01 0.00 0.00 57.45 58.74 1xsb n PHE 133 Cb 1.41 -2.72 0.24 0.00 -0.01 0.00 0.00 39.48 38.40 1xsb n PHE 133 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1xsb h LYS 134 N 8.07 1.01 -0.84 -1.08 3.64 -1.96 0.22 116.57 125.64 1xsb h LYS 134 Ca -0.45 -0.06 0.13 0.00 -1.27 0.00 0.00 60.65 58.99 1xsb h LYS 134 Cb 1.21 -0.23 -0.09 0.00 -0.41 0.00 0.00 32.23 32.72 1xsb h LYS 134 CO 0.95 0.67 0.45 0.93 -2.27 0.00 0.00 179.45 180.18 1xsb h GLU 135 N 1.04 0.67 0.00 1.90 5.08 -1.90 0.67 114.58 122.05 1xsb h GLU 135 Ca 0.37 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1xsb h GLU 135 Cb 0.13 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1xsb h GLU 135 CO -0.13 0.44 -0.00 0.52 -1.00 0.00 0.00 179.01 178.85 1xsb h MET 136 N 0.69 -0.00 -0.90 2.33 2.86 -1.56 0.57 114.93 118.91 1xsb h MET 136 Ca 0.44 0.00 0.25 0.00 -2.06 0.00 0.00 59.70 58.33 1xsb h MET 136 Cb 0.54 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.16 1xsb h MET 136 CO -0.32 0.91 0.64 0.87 1.06 0.00 0.00 176.91 180.07 1xsb h LYS 137 N -0.98 0.08 0.00 1.72 1.57 -0.64 0.86 116.57 119.17 1xsb h LYS 137 Ca -0.00 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xsb h LYS 137 Cb 0.91 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1xsb h LYS 137 CO 0.00 0.05 -0.00 0.00 -0.57 0.00 0.00 179.45 178.93 1xsb h ALA 138 N 1.56 -0.00 -0.10 3.86 0.00 0.42 -1.48 119.26 123.52 1xsb h ALA 138 Ca 0.44 -0.46 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1xsb h ALA 138 Cb 1.62 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.37 1xsb h ALA 138 CO -0.04 -0.01 -0.13 0.00 0.00 0.00 0.00 179.25 179.07 1xsb h ALA 139 N -0.05 -0.06 -0.07 0.00 0.00 0.27 1.63 119.26 120.97 1xsb h ALA 139 Ca -0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1xsb h ALA 139 Cb 0.92 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1xsb h ALA 139 CO 0.00 -0.59 -0.05 -0.07 0.00 0.00 0.00 179.25 178.54 1xsb h LEU 140 N -0.17 0.09 0.16 0.00 3.38 0.47 0.28 115.31 119.52 1xsb h LEU 140 Ca 0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1xsb h LEU 140 Cb 0.28 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1xsb h LEU 140 CO -0.20 0.16 -0.07 1.56 0.09 0.00 0.00 178.44 179.97 1xsb h GLN 141 N 0.10 -0.20 -0.40 1.13 1.08 0.81 -2.04 115.11 115.59 1xsb h GLN 141 Ca 0.02 0.01 -0.12 0.00 -1.45 0.00 0.00 58.65 57.12 1xsb h GLN 141 Cb 0.16 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 1xsb h GLN 141 CO 0.01 0.23 -0.22 0.93 -0.95 0.00 0.00 178.83 178.83 1xsb h GLU 142 N -0.77 0.80 -0.39 1.46 4.39 0.24 -0.38 114.58 119.93 1xsb h GLU 142 Ca -0.02 -0.32 0.04 0.00 0.34 0.00 0.00 59.36 59.40 1xsb h GLU 142 Cb 0.53 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 1xsb h GLU 142 CO 0.03 0.95 0.16 0.78 -1.16 0.00 0.00 179.01 179.77 1xsb h GLY 143 N 0.95 0.51 0.98 -3.84 0.00 -0.50 0.85 103.07 102.03 1xsb h GLY 143 Ca 0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1xsb h GLY 143 CO 0.06 0.05 0.15 0.84 0.00 0.00 0.00 176.54 177.63 1xsb h HIS 144 N 0.33 0.86 -0.61 5.60 -0.00 -1.12 -1.77 115.15 118.45 1xsb h HIS 144 Ca 0.18 -0.09 -0.03 0.00 -0.00 0.00 0.00 60.37 60.43 1xsb h HIS 144 Cb 0.14 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.27 1xsb h HIS 144 CO -0.13 0.75 0.28 0.37 -0.00 0.00 0.00 177.93 179.20 1xsb h GLN 145 N 0.73 0.88 0.14 5.26 5.75 0.05 -2.42 115.11 125.50 1xsb h GLN 145 Ca 0.17 -0.14 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 1xsb h GLN 145 Cb 0.30 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.70 1xsb h GLN 145 CO -0.00 0.72 -0.07 0.35 -2.65 0.00 0.00 178.83 177.18 1xsb h PHE 146 N 0.84 -0.18 -0.96 3.99 3.04 0.89 -2.84 116.94 121.71 1xsb h PHE 146 Ca 0.21 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.26 1xsb h PHE 146 Cb 0.14 0.06 -0.08 0.00 2.56 0.00 0.00 35.95 38.63 1xsb h PHE 146 CO 0.00 0.17 0.61 -0.07 -2.02 0.00 0.00 178.31 177.00 1xsb h LEU 147 N -0.55 0.88 -0.23 0.59 3.38 -1.31 0.97 115.31 119.03 1xsb h LEU 147 Ca -0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xsb h LEU 147 Cb 0.43 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1xsb h LEU 147 CO 0.03 0.49 0.00 0.00 0.09 0.00 0.00 178.44 179.05 1xsb n SER 149 N -1.71 0.65 0.00 0.00 2.88 0.33 -4.56 113.62 111.21 1xsb n SER 149 Ca 0.03 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1xsb n SER 149 Cb 0.16 0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 1xsb n SER 149 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1xsb n ILE 150 N -2.01 0.00 0.00 2.46 5.41 -0.62 -5.01 119.36 119.59 1xsb n ILE 150 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1xsb n ILE 150 Cb 0.43 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.36 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 0.00 -1.72 0.38 2.13 -1.26 -4.89 120.64 115.28 1xsb n GLU 151 Ca 0.00 0.19 -0.40 0.00 0.66 0.00 0.00 57.16 57.61 1xsb n GLU 151 Cb 0.00 -0.62 0.02 0.00 0.27 0.00 0.00 31.44 31.11 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 -1.73 1.51 1.30 4.31 0.00 -1.26 -5.06 120.51 119.57 1xsb n ALA 152 Ca 0.00 0.24 0.13 0.00 0.00 0.00 0.00 53.44 53.81 1xsb n ALA 152 Cb 0.00 -2.31 0.35 0.00 0.00 0.00 0.00 19.45 17.50 1xsb n ALA 152 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39