#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsb s PRO 2 N 0.00 3.75 0.34 1.61 0.04 -1.26 -4.93 135.00 134.54 1xsb s PRO 2 Ca 0.00 1.56 0.05 0.00 0.04 0.00 0.00 61.00 62.64 1xsb s PRO 2 Cb 0.00 -2.23 0.68 0.00 0.04 0.00 0.00 34.50 32.99 1xsb s PRO 2 CO 0.00 -0.51 1.92 1.25 0.04 0.00 0.00 177.00 179.69 1xsb h LEU 3 N 1.77 0.75 0.00 -3.56 5.85 -2.09 -3.46 115.31 114.57 1xsb h LEU 3 Ca -0.49 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1xsb h LEU 3 Cb 1.24 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1xsb h LEU 3 CO 0.59 0.46 0.00 0.61 -0.34 0.00 0.00 178.44 179.76 1xsb n GLY 4 N -1.42 4.06 3.69 3.75 0.00 -1.26 -5.14 105.19 108.86 1xsb n GLY 4 Ca 0.14 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1xsb n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xsb s SER 5 N 0.00 3.32 -0.14 1.61 0.01 -1.26 -4.89 113.70 112.36 1xsb s SER 5 Ca 0.00 1.93 -0.29 0.00 1.31 0.00 0.00 55.95 58.90 1xsb s SER 5 Cb 0.00 -2.48 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 1xsb s SER 5 CO 0.00 -2.80 1.64 -0.32 0.41 0.00 0.00 173.24 172.16 1xsb s MET 6 N -4.75 3.98 0.25 12.44 1.75 -1.26 -4.75 119.30 126.97 1xsb s MET 6 Ca 0.65 1.93 0.00 0.00 -1.25 0.00 0.00 55.69 57.02 1xsb s MET 6 Cb -0.21 -4.01 0.00 0.00 2.84 0.00 0.00 34.83 33.45 1xsb s MET 6 CO 0.58 -1.08 0.00 0.00 -0.65 0.00 0.00 175.02 173.87 1xsb n ALA 7 N 7.83 -2.74 -2.78 4.11 0.00 -1.26 -4.78 120.51 120.89 1xsb n ALA 7 Ca 0.18 0.37 -0.35 0.00 0.00 0.00 0.00 53.44 53.64 1xsb n ALA 7 Cb 0.44 -0.98 -0.09 0.00 0.00 0.00 0.00 19.45 18.82 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 -5.31 3.82 0.01 0.00 1.02 -0.19 -5.01 118.68 113.01 1xsb s LEU 8 Ca 0.00 0.18 -0.23 0.00 0.02 0.00 0.00 54.13 54.11 1xsb s LEU 8 Cb 0.00 -1.92 -0.05 0.00 0.02 0.00 0.00 46.19 44.24 1xsb s LEU 8 CO 0.00 0.31 0.67 -0.60 0.02 0.00 0.00 176.35 176.75 1xsb s ARG 9 N -0.47 4.40 0.04 1.70 3.52 -1.26 -2.12 118.95 124.76 1xsb s ARG 9 Ca 0.10 0.88 -0.06 0.00 -0.13 0.00 0.00 55.73 56.51 1xsb s ARG 9 Cb -0.12 -3.36 -0.01 0.00 -1.56 0.00 0.00 34.95 29.90 1xsb s ARG 9 CO 0.02 0.30 0.11 0.00 -0.81 0.00 0.00 175.30 174.92 1xsb s ALA 10 N -0.02 -0.10 -0.10 6.12 0.00 -0.35 -3.62 121.76 123.69 1xsb s ALA 10 Ca 0.35 -0.54 -0.04 0.00 0.00 0.00 0.00 51.96 51.73 1xsb s ALA 10 Cb -0.19 0.27 0.05 0.00 0.00 0.00 0.00 23.12 23.25 1xsb s ALA 10 CO 0.19 -0.34 0.21 0.00 0.00 0.00 0.00 175.76 175.82 1xsb s GLY 12 N 1.94 2.84 -0.19 0.00 0.00 -1.05 -1.95 107.32 108.90 1xsb s GLY 12 Ca -0.02 -1.01 0.01 0.00 0.00 0.00 0.00 44.72 43.70 1xsb s GLY 12 CO -0.07 -2.15 -0.17 1.08 0.00 0.00 0.00 173.10 171.80 1xsb s LEU 13 N -3.81 2.35 -0.72 0.66 1.43 -1.04 -4.03 118.68 113.53 1xsb s LEU 13 Ca 0.16 -0.80 -0.26 0.00 -1.03 0.00 0.00 54.13 52.20 1xsb s LEU 13 Cb 0.04 -1.43 0.04 0.00 0.03 0.00 0.00 46.19 44.87 1xsb s LEU 13 CO 0.08 -0.06 1.18 -0.63 0.23 0.00 0.00 176.35 177.16 1xsb s ILE 14 N 1.29 3.91 0.05 -0.59 1.01 -0.87 -4.39 121.20 121.61 1xsb s ILE 14 Ca 0.02 0.16 -0.19 0.00 0.00 0.00 0.00 60.65 60.64 1xsb s ILE 14 Cb -0.15 -4.85 -0.06 0.00 0.01 0.00 0.00 42.46 37.41 1xsb s ILE 14 CO -0.11 -1.74 0.54 -0.63 0.00 0.00 0.00 174.94 173.00 1xsb s ILE 15 N 5.22 4.81 -0.04 2.92 1.01 -1.26 0.30 121.20 134.16 1xsb s ILE 15 Ca 0.31 1.14 -0.02 0.00 0.00 0.00 0.00 60.65 62.09 1xsb s ILE 15 Cb -0.11 -3.86 0.03 0.00 0.01 0.00 0.00 42.46 38.53 1xsb s ILE 15 CO 0.13 0.55 0.05 0.72 0.00 0.00 0.00 174.94 176.39 1xsb s PHE 16 N -1.03 0.09 -0.21 3.97 -0.71 1.21 -2.03 117.98 119.27 1xsb s PHE 16 Ca 0.28 0.21 -0.29 0.00 -1.04 0.00 0.00 56.93 56.10 1xsb s PHE 16 Cb -0.19 -0.45 0.00 0.00 -1.21 0.00 0.00 43.02 41.17 1xsb s PHE 16 CO 0.18 -0.18 1.01 0.50 -1.34 0.00 0.00 175.22 175.39 1xsb s ARG 17 N 1.95 4.28 -0.11 1.99 3.52 0.28 -3.95 118.95 126.92 1xsb s ARG 17 Ca 0.02 1.33 -0.15 0.00 -0.13 0.00 0.00 55.73 56.80 1xsb s ARG 17 Cb -0.12 -3.62 -0.05 0.00 -1.56 0.00 0.00 34.95 29.60 1xsb s ARG 17 CO -0.03 -0.56 0.38 0.50 -0.81 0.00 0.00 175.30 174.78 1xsb s ARG 18 N 2.96 4.18 -0.11 5.12 3.52 -1.26 -2.15 118.95 131.21 1xsb s ARG 18 Ca 0.44 0.29 -0.05 0.00 -0.13 0.00 0.00 55.73 56.29 1xsb s ARG 18 Cb -0.16 -3.37 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 1xsb s ARG 18 CO 0.08 0.34 0.07 0.00 -0.81 0.00 0.00 175.30 174.98 1xsb h LEU 20 N 5.14 1.12 -8.08 0.00 3.38 -1.98 -3.44 115.31 111.45 1xsb h LEU 20 Ca -0.52 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.32 1xsb h LEU 20 Cb 1.21 -0.27 -0.15 0.00 0.09 0.00 0.00 40.66 41.54 1xsb h LEU 20 CO 0.57 0.79 -0.58 0.27 0.09 0.00 0.00 178.44 179.57 1xsb s ILE 21 N -6.09 0.19 0.00 1.22 -4.36 -1.26 -5.17 121.20 105.72 1xsb s ILE 21 Ca -0.13 -1.54 0.00 0.00 -0.26 0.00 0.00 60.65 58.72 1xsb s ILE 21 Cb 0.19 -1.37 0.00 0.00 1.25 0.00 0.00 42.46 42.52 1xsb s ILE 21 CO 0.82 -0.85 0.00 -0.81 0.24 0.00 0.00 174.94 174.34 1xsb n PRO 22 N 0.17 1.95 0.00 0.37 -0.04 -1.26 -4.63 135.00 131.56 1xsb n PRO 22 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1xsb n PRO 22 Cb 0.61 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.07 1xsb n PRO 22 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1xsb n LYS 23 N 0.00 0.00 -0.27 0.54 5.02 -1.26 -4.27 118.16 117.92 1xsb n LYS 23 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.31 1xsb n LYS 23 Cb 0.00 0.00 0.23 0.00 -0.02 0.00 0.00 35.03 35.24 1xsb n LYS 23 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xsb h VAL 24 N 0.00 1.15 -0.62 -0.18 2.07 -2.06 0.22 116.25 116.83 1xsb h VAL 24 Ca 0.00 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1xsb h VAL 24 Cb 0.00 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.76 1xsb h VAL 24 CO 0.00 0.20 0.00 0.47 0.02 0.00 0.00 177.57 178.26 1xsb n ASP 25 N -4.44 4.94 0.00 0.57 10.43 -1.26 -4.78 116.55 122.01 1xsb n ASP 25 Ca 0.11 -2.56 0.00 0.00 2.57 0.00 0.00 54.79 54.90 1xsb n ASP 25 Cb 0.09 -0.61 0.00 0.00 1.84 0.00 0.00 41.12 42.45 1xsb n ASP 25 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 1xsb n ASN 26 N 0.98 0.00 0.29 -2.24 6.94 0.75 0.46 115.26 122.45 1xsb n ASN 26 Ca 0.26 0.00 0.06 0.00 -0.02 0.00 0.00 54.58 54.88 1xsb n ASN 26 Cb 0.96 0.00 0.27 0.00 -2.36 0.00 0.00 39.78 38.65 1xsb n ASN 26 CO 0.00 0.00 0.00 0.78 -1.03 0.00 0.00 177.26 177.01 1xsb h ASN 27 N 0.00 0.00 0.00 0.53 2.35 -1.86 -3.43 115.58 113.17 1xsb h ASN 27 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1xsb h ASN 27 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1xsb h ASN 27 CO 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.78 1xsb n ALA 28 N -1.67 0.00 -2.79 -0.83 0.00 1.63 -4.55 120.51 112.30 1xsb n ALA 28 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.11 1xsb n ALA 28 Cb 0.85 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.19 1xsb n ALA 28 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xsb s ILE 29 N 0.00 4.03 0.18 0.00 1.01 -1.26 -2.58 121.20 122.58 1xsb s ILE 29 Ca 0.00 -0.33 0.09 0.00 0.00 0.00 0.00 60.65 60.41 1xsb s ILE 29 Cb 0.00 -2.72 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 1xsb s ILE 29 CO 0.00 0.55 -0.20 -1.61 0.00 0.00 0.00 174.94 173.68 1xsb s GLU 30 N -0.24 1.36 0.12 2.79 8.01 -0.91 -4.10 118.70 125.72 1xsb s GLU 30 Ca 0.05 -1.46 0.09 0.00 0.01 0.00 0.00 54.97 53.66 1xsb s GLU 30 Cb -0.13 -1.48 -0.04 0.00 -4.31 0.00 0.00 34.13 28.17 1xsb s GLU 30 CO 0.02 0.30 -0.17 -0.06 0.01 0.00 0.00 175.26 175.37 1xsb s PHE 31 N -1.99 2.55 -0.08 1.61 0.08 -0.75 0.10 117.98 119.51 1xsb s PHE 31 Ca 0.18 -0.26 -0.28 0.00 0.12 0.00 0.00 56.93 56.69 1xsb s PHE 31 Cb -0.06 -1.34 -0.02 0.00 -0.57 0.00 0.00 43.02 41.03 1xsb s PHE 31 CO 0.08 0.40 0.93 -1.17 -0.10 0.00 0.00 175.22 175.36 1xsb s LEU 32 N -2.21 4.28 -0.06 -0.37 2.96 -0.86 -3.82 118.68 118.61 1xsb s LEU 32 Ca 0.19 1.47 0.02 0.00 -0.22 0.00 0.00 54.13 55.59 1xsb s LEU 32 Cb -0.10 -3.45 0.01 0.00 0.50 0.00 0.00 46.19 43.15 1xsb s LEU 32 CO 0.11 -0.34 -0.12 -0.76 -1.32 0.00 0.00 176.35 173.92 1xsb s LEU 33 N 1.55 1.67 -0.09 -0.68 1.43 -1.12 -4.55 118.68 116.90 1xsb s LEU 33 Ca 0.46 -0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 53.25 1xsb s LEU 33 Cb -0.19 -0.79 -0.04 0.00 0.03 0.00 0.00 46.19 45.21 1xsb s LEU 33 CO 0.20 0.04 0.05 -0.76 0.23 0.00 0.00 176.35 176.11 1xsb s LEU 34 N 0.56 3.84 0.40 1.79 1.43 -1.21 -1.13 118.68 124.36 1xsb s LEU 34 Ca -0.12 0.24 -0.24 0.00 -1.03 0.00 0.00 54.13 52.98 1xsb s LEU 34 Cb -0.14 -1.93 -0.09 0.00 0.03 0.00 0.00 46.19 44.05 1xsb s LEU 34 CO 0.03 0.38 1.07 -1.58 0.23 0.00 0.00 176.35 176.48 1xsb s GLN 35 N -1.01 4.12 0.00 1.70 0.74 0.86 -3.41 119.66 122.65 1xsb s GLN 35 Ca 0.15 1.56 0.19 0.00 0.05 0.00 0.00 55.36 57.31 1xsb s GLN 35 Cb -0.12 -2.54 0.85 0.00 1.10 0.00 0.00 33.01 32.31 1xsb s GLN 35 CO 0.04 -0.19 1.61 0.00 -0.55 0.00 0.00 175.29 176.19 1xsb n ALA 36 N -0.10 1.91 0.00 1.58 0.00 -1.18 -3.50 120.51 119.22 1xsb n ALA 36 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1xsb n ALA 36 Cb 0.49 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.45 0.00 -2.48 0.00 3.41 -1.25 -4.57 113.62 107.28 1xsb n SER 37 Ca 0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.55 1xsb n SER 37 Cb 0.21 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.12 1xsb n SER 37 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1xsb n ASP 38 N 1.89 -0.74 0.00 4.04 5.68 -1.26 -4.93 116.55 121.24 1xsb n ASP 38 Ca 0.00 -2.43 0.00 0.00 -0.50 0.00 0.00 54.79 51.86 1xsb n ASP 38 Cb 0.00 1.49 0.00 0.00 -1.14 0.00 0.00 41.12 41.47 1xsb n ASP 38 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xsb n GLY 39 N -0.43 -0.61 0.00 6.12 0.00 -1.26 -3.12 105.19 105.89 1xsb n GLY 39 Ca 0.03 -1.15 0.03 0.00 0.00 0.00 0.00 46.02 44.93 1xsb n GLY 39 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1xsb n ILE 40 N 0.00 0.57 -2.43 -0.61 3.06 -1.26 -4.77 119.36 113.92 1xsb n ILE 40 Ca 0.00 0.14 -0.19 0.00 -2.50 0.00 0.00 62.75 60.20 1xsb n ILE 40 Cb 0.00 -1.05 -0.00 0.00 0.54 0.00 0.00 39.64 39.13 1xsb n ILE 40 CO 0.00 0.00 0.00 1.41 -2.50 0.00 0.00 176.55 175.46 1xsb n HIS 41 N -1.18 -1.00 -1.89 9.51 8.25 -1.18 -4.96 115.22 122.77 1xsb n HIS 41 Ca 0.03 0.05 -0.32 0.00 -0.26 0.00 0.00 57.72 57.23 1xsb n HIS 41 Cb 0.04 -3.76 0.02 0.00 1.12 0.00 0.00 29.99 27.41 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 -2.97 2.99 -0.11 4.41 -3.43 -1.26 -4.57 115.29 110.35 1xsb s HIS 42 Ca 0.03 1.49 -0.03 0.00 -0.80 0.00 0.00 55.06 55.75 1xsb s HIS 42 Cb -0.01 -2.99 -0.03 0.00 -1.43 0.00 0.00 32.58 28.12 1xsb s HIS 42 CO 0.04 -1.19 0.03 -1.58 -2.00 0.00 0.00 174.74 170.03 1xsb s TRP 43 N -2.61 3.23 -0.02 0.38 0.52 -1.24 -3.12 118.94 116.09 1xsb s TRP 43 Ca 0.62 0.20 -0.17 0.00 0.02 0.00 0.00 56.10 56.77 1xsb s TRP 43 Cb -0.16 -1.85 0.03 0.00 -1.15 0.00 0.00 33.47 30.34 1xsb s TRP 43 CO 0.42 0.44 0.36 0.95 0.02 0.00 0.00 176.95 179.15 1xsb s THR 44 N -0.69 0.05 0.74 2.01 -4.23 -1.22 -4.25 115.64 108.05 1xsb s THR 44 Ca 0.11 -0.42 -0.14 0.00 -1.18 0.00 0.00 61.69 60.06 1xsb s THR 44 Cb -0.12 -0.68 0.05 0.00 1.34 0.00 0.00 72.50 73.09 1xsb s THR 44 CO 0.02 -0.23 1.19 -2.16 -0.54 0.00 0.00 174.62 172.90 1xsb s PRO 45 N -1.38 2.10 -0.57 3.99 0.04 -1.26 -3.33 135.00 134.60 1xsb s PRO 45 Ca -0.13 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 62.31 1xsb s PRO 45 Cb -0.04 -1.84 -0.12 0.00 0.04 0.00 0.00 34.50 32.54 1xsb s PRO 45 CO 0.05 -1.85 2.42 -0.35 0.04 0.00 0.00 177.00 177.31 1xsb n PRO 46 N -2.84 0.82 -3.85 0.56 -0.04 -1.26 -4.80 135.00 123.59 1xsb n PRO 46 Ca 0.13 0.11 -0.31 0.00 -0.04 0.00 0.00 63.50 63.38 1xsb n PRO 46 Cb 0.51 -2.65 -0.04 0.00 -0.04 0.00 0.00 33.50 31.28 1xsb n PRO 46 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1xsb s LYS 47 N 7.78 3.49 0.25 0.54 1.02 -1.26 -2.49 119.74 129.07 1xsb s LYS 47 Ca 1.11 -0.33 -0.02 0.00 0.02 0.00 0.00 55.97 56.76 1xsb s LYS 47 Cb -0.66 -2.99 -0.03 0.00 -0.52 0.00 0.00 37.83 33.63 1xsb s LYS 47 CO 0.39 0.58 0.26 0.20 -0.92 0.00 0.00 175.35 175.86 1xsb s GLY 48 N -2.44 1.44 -0.17 -3.33 0.00 -0.82 -4.93 107.32 97.08 1xsb s GLY 48 Ca 0.36 -1.60 -0.05 0.00 0.00 0.00 0.00 44.72 43.43 1xsb s GLY 48 CO 0.26 -1.23 0.01 -1.58 0.00 0.00 0.00 173.10 170.56 1xsb s HIS 49 N -3.88 3.12 0.01 1.90 2.46 -1.26 -1.65 115.29 115.99 1xsb s HIS 49 Ca 0.35 -0.13 -0.18 0.00 0.47 0.00 0.00 55.06 55.58 1xsb s HIS 49 Cb 0.04 -2.01 -0.06 0.00 -0.13 0.00 0.00 32.58 30.43 1xsb s HIS 49 CO 0.15 0.06 0.51 0.54 -2.47 0.00 0.00 174.74 173.53 1xsb s VAL 50 N 0.33 4.91 0.51 0.89 0.11 -1.24 -4.92 120.40 121.00 1xsb s VAL 50 Ca -0.01 1.07 -0.09 0.00 -2.93 0.00 0.00 61.98 60.02 1xsb s VAL 50 Cb -0.13 -3.84 -0.05 0.00 -1.53 0.00 0.00 36.38 30.84 1xsb s VAL 50 CO 0.02 0.51 0.88 -1.83 -3.33 0.00 0.00 175.10 171.35 1xsb s GLU 51 N -0.73 3.64 0.44 1.54 -1.05 -1.26 -4.89 118.70 116.38 1xsb s GLU 51 Ca 0.27 0.49 0.17 0.00 -0.15 0.00 0.00 54.97 55.75 1xsb s GLU 51 Cb -0.18 -2.26 1.10 0.00 -0.44 0.00 0.00 34.13 32.35 1xsb s GLU 51 CO 0.16 -0.29 1.92 -1.00 0.95 0.00 0.00 175.26 176.99 1xsb h PRO 52 N 0.30 0.35 -0.54 -4.83 0.13 -1.99 0.85 132.00 126.28 1xsb h PRO 52 Ca -0.46 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1xsb h PRO 52 Cb 1.20 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1xsb h PRO 52 CO 0.62 0.23 0.00 0.41 -0.23 0.00 0.00 178.00 179.03 1xsb n GLY 53 N -1.54 2.89 3.91 1.56 0.00 -1.26 -4.96 105.19 105.79 1xsb n GLY 53 Ca 0.14 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.62 3.48 0.80 1.61 2.12 0.29 -5.08 118.70 120.29 1xsb s GLU 54 Ca 0.43 -0.32 -0.11 0.00 0.36 0.00 0.00 54.97 55.33 1xsb s GLU 54 Cb 0.27 -3.04 0.07 0.00 0.26 0.00 0.00 34.13 31.69 1xsb s GLU 54 CO 0.22 0.61 1.09 0.34 -0.54 0.00 0.00 175.26 176.98 1xsb s ASP 55 N -2.24 4.35 -0.05 -1.70 3.68 -1.26 -4.64 116.67 114.80 1xsb s ASP 55 Ca 0.33 1.64 -0.10 0.00 2.13 0.00 0.00 52.55 56.54 1xsb s ASP 55 Cb -0.13 -2.36 -0.06 0.00 -1.45 0.00 0.00 42.92 38.92 1xsb s ASP 55 CO 0.24 -2.11 0.46 0.44 0.13 0.00 0.00 175.17 174.33 1xsb h ASP 56 N -1.18 -0.32 -0.77 -0.34 3.45 -1.98 -2.99 116.42 112.30 1xsb h ASP 56 Ca -0.46 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.00 1xsb h ASP 56 Cb 1.25 0.08 -0.04 0.00 -0.56 0.00 0.00 39.33 40.06 1xsb h ASP 56 CO 0.54 0.08 0.44 0.25 -1.57 0.00 0.00 179.24 178.98 1xsb h LEU 57 N -0.99 0.94 -0.99 1.55 5.85 -1.97 -2.30 115.31 117.41 1xsb h LEU 57 Ca -0.04 -0.08 0.12 0.00 0.84 0.00 0.00 57.88 58.71 1xsb h LEU 57 Cb 0.29 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 1xsb h LEU 57 CO 0.06 0.75 0.62 -0.33 -0.34 0.00 0.00 178.44 179.20 1xsb h GLU 58 N 1.05 0.96 -0.91 1.25 3.07 -1.97 0.43 114.58 118.47 1xsb h GLU 58 Ca 0.27 -0.06 0.04 0.00 -0.50 0.00 0.00 59.36 59.11 1xsb h GLU 58 Cb 0.00 -0.22 -0.05 0.00 -0.84 0.00 0.00 28.75 27.64 1xsb h GLU 58 CO -0.05 0.64 0.59 1.15 -1.40 0.00 0.00 179.01 179.94 1xsb h THR 59 N 0.99 1.14 -0.45 1.13 2.02 -1.25 0.91 112.91 117.41 1xsb h THR 59 Ca 0.49 -0.39 -0.09 0.00 0.77 0.00 0.00 66.41 67.18 1xsb h THR 59 Cb 0.46 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1xsb h THR 59 CO -0.26 0.21 -0.08 0.00 0.37 0.00 0.00 175.52 175.75 1xsb h ALA 60 N 1.38 0.61 0.17 6.16 0.00 -0.40 0.79 119.26 127.98 1xsb h ALA 60 Ca 0.37 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1xsb h ALA 60 Cb 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1xsb h ALA 60 CO -0.12 0.48 -0.08 -0.07 0.00 0.00 0.00 179.25 179.45 1xsb h LEU 61 N 0.68 -0.20 -0.63 0.00 3.38 0.13 0.51 115.31 119.19 1xsb h LEU 61 Ca 0.12 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1xsb h LEU 61 Cb 0.62 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1xsb h LEU 61 CO 0.04 -0.13 0.40 -0.09 0.09 0.00 0.00 178.44 178.74 1xsb h ARG 62 N -0.24 0.84 -0.19 1.13 2.43 0.90 -2.09 114.38 117.16 1xsb h ARG 62 Ca -0.02 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 58.98 1xsb h ARG 62 Cb 0.18 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1xsb h ARG 62 CO 0.04 0.58 -0.34 0.00 -1.51 0.00 0.00 179.97 178.74 1xsb h ALA 63 N 1.21 1.06 -0.37 2.80 0.00 -0.54 -0.17 119.26 123.26 1xsb h ALA 63 Ca 0.23 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1xsb h ALA 63 Cb -0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1xsb h ALA 63 CO -0.05 0.58 0.20 1.15 0.00 0.00 0.00 179.25 181.13 1xsb h THR 64 N 0.35 1.00 0.22 0.00 2.02 0.70 0.81 112.91 118.01 1xsb h THR 64 Ca 0.04 -0.14 -0.32 0.00 0.77 0.00 0.00 66.41 66.76 1xsb h THR 64 Cb 0.76 0.57 0.03 0.00 -1.74 0.00 0.00 68.15 67.77 1xsb h THR 64 CO 0.06 0.07 -1.44 -0.61 0.37 0.00 0.00 175.52 173.97 1xsb h GLN 65 N 0.40 0.45 -0.71 6.66 4.15 -0.42 0.13 115.11 125.78 1xsb h GLN 65 Ca 0.15 -0.78 -0.04 0.00 0.77 0.00 0.00 58.65 58.76 1xsb h GLN 65 Cb 0.04 0.29 -0.03 0.00 0.21 0.00 0.00 27.48 27.99 1xsb h GLN 65 CO -0.09 1.37 0.30 0.93 -1.93 0.00 0.00 178.83 179.41 1xsb h GLU 66 N 0.12 1.03 -0.02 1.69 4.39 -0.88 2.34 114.58 123.26 1xsb h GLU 66 Ca -0.23 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1xsb h GLU 66 Cb 2.11 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 30.58 1xsb h GLU 66 CO 0.25 0.83 -0.13 0.39 -1.16 0.00 0.00 179.01 179.18 1xsb n GLU 67 N -4.31 1.65 0.00 2.33 1.02 0.26 -4.38 120.64 117.21 1xsb n GLU 67 Ca 0.06 -1.40 0.00 0.00 -0.02 0.00 0.00 57.16 55.81 1xsb n GLU 67 Cb 0.16 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 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 0.70 0.27 -0.38 0.62 0.00 0.57 -4.10 120.51 118.19 1xsb n ALA 68 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1xsb n ALA 68 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 0.13 1.13 3.56 0.00 0.00 0.79 0.47 105.19 111.27 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 -2.96 4.61 0.41 -0.61 1.01 -1.20 -4.76 121.20 117.71 1xsb s ILE 70 Ca 0.00 -0.09 0.07 0.00 0.00 0.00 0.00 60.65 60.63 1xsb s ILE 70 Cb 0.00 -3.10 -0.07 0.00 0.01 0.00 0.00 42.46 39.30 1xsb s ILE 70 CO 0.00 0.41 0.08 -1.83 0.00 0.00 0.00 174.94 173.60 1xsb s GLU 71 N 0.85 2.07 0.42 2.79 -1.05 -1.26 -0.50 118.70 122.01 1xsb s GLU 71 Ca 0.04 -2.00 0.23 0.00 -0.15 0.00 0.00 54.97 53.09 1xsb s GLU 71 Cb -0.14 -1.78 1.22 0.00 -0.44 0.00 0.00 34.13 32.99 1xsb s GLU 71 CO 0.02 -0.07 1.74 0.00 0.95 0.00 0.00 175.26 177.90 1xsb h ALA 72 N 1.64 2.42 0.00 -0.84 0.00 -1.85 3.46 119.26 124.09 1xsb h ALA 72 Ca -0.43 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1xsb h ALA 72 Cb 1.25 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1xsb h ALA 72 CO 0.76 -0.88 -0.04 0.78 0.00 0.00 0.00 179.25 179.88 1xsb h GLY 73 N 0.29 0.00 0.00 0.00 0.00 -1.98 -2.03 103.07 99.35 1xsb h GLY 73 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.98 1xsb h GLY 73 CO -0.31 0.00 -0.76 -1.06 0.00 0.00 0.00 176.54 174.42 1xsb n GLN 74 N -3.52 1.73 -3.82 4.80 6.02 1.12 -5.00 117.38 118.70 1xsb n GLN 74 Ca -0.02 -0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.77 1xsb n GLN 74 Cb 0.14 -1.25 -0.05 0.00 1.02 0.00 0.00 30.24 30.10 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 -1.38 0.00 -3.93 1.08 -0.00 0.34 -0.74 117.00 112.37 1xsb n LEU 75 Ca 0.03 -2.34 -0.30 0.00 -0.00 0.00 0.00 56.01 53.40 1xsb n LEU 75 Cb 0.25 0.72 -0.16 0.00 -0.00 0.00 0.00 43.42 44.23 1xsb n LEU 75 CO 0.32 -0.36 -0.43 -0.89 -0.00 0.00 0.00 177.39 176.03 1xsb s THR 76 N -2.66 1.38 -0.00 1.47 2.01 0.64 -4.72 115.64 113.75 1xsb s THR 76 Ca 0.14 -0.94 -0.30 0.00 0.31 0.00 0.00 61.69 60.90 1xsb s THR 76 Cb 0.01 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 1xsb s THR 76 CO 0.10 0.04 0.96 -0.63 -0.69 0.00 0.00 174.62 174.40 1xsb s ILE 77 N 1.49 4.88 0.11 1.82 -1.09 -1.26 -1.56 121.20 125.59 1xsb s ILE 77 Ca -0.02 2.02 -0.21 0.00 -2.23 0.00 0.00 60.65 60.21 1xsb s ILE 77 Cb -0.17 -4.30 -0.07 0.00 -1.58 0.00 0.00 42.46 36.34 1xsb s ILE 77 CO -0.07 0.16 0.64 -0.63 -1.23 0.00 0.00 174.94 173.81 1xsb s ILE 78 N 1.01 4.61 0.10 2.92 1.09 0.11 -4.98 121.20 126.05 1xsb s ILE 78 Ca 0.51 1.37 0.02 0.00 -1.10 0.00 0.00 60.65 61.45 1xsb s ILE 78 Cb -0.21 -3.97 -0.04 0.00 -1.06 0.00 0.00 42.46 37.18 1xsb s ILE 78 CO 0.27 0.52 0.19 -1.61 -0.10 0.00 0.00 174.94 174.21 1xsb s GLU 79 N -1.19 3.25 0.00 2.79 2.02 -1.26 -4.40 118.70 119.91 1xsb s GLU 79 Ca 0.32 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.73 1xsb s GLU 79 Cb -0.20 -2.91 0.00 0.00 0.10 0.00 0.00 34.13 31.12 1xsb s GLU 79 CO 0.21 0.56 0.00 0.41 0.02 0.00 0.00 175.26 176.47 1xsb n GLY 80 N 0.05 3.03 3.45 -1.39 0.00 -1.26 -5.04 105.19 104.03 1xsb n GLY 80 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.73 3.01 -0.25 1.61 2.19 -1.26 -5.08 117.98 115.47 1xsb s PHE 81 Ca 0.00 -0.45 -0.14 0.00 0.33 0.00 0.00 56.93 56.67 1xsb s PHE 81 Cb 0.00 -2.02 0.08 0.00 -1.31 0.00 0.00 43.02 39.77 1xsb s PHE 81 CO 0.00 -0.18 0.61 0.21 1.83 0.00 0.00 175.22 177.68 1xsb s LYS 82 N 0.73 0.61 -0.23 10.12 2.20 -1.26 -4.65 119.74 127.26 1xsb s LYS 82 Ca -0.01 1.12 -0.26 0.00 -0.36 0.00 0.00 55.97 56.45 1xsb s LYS 82 Cb -0.14 0.14 0.08 0.00 -1.51 0.00 0.00 37.83 36.39 1xsb s LYS 82 CO 0.02 -0.16 0.77 0.50 -0.36 0.00 0.00 175.35 176.12 1xsb s ARG 83 N 1.66 0.83 0.05 4.03 3.52 -1.25 -5.04 118.95 122.74 1xsb s ARG 83 Ca -0.09 0.77 0.09 0.00 -0.13 0.00 0.00 55.73 56.36 1xsb s ARG 83 Cb -0.06 0.40 -0.03 0.00 -1.56 0.00 0.00 34.95 33.70 1xsb s ARG 83 CO -0.18 -0.14 -0.24 -1.83 -0.81 0.00 0.00 175.30 172.10 1xsb s GLU 84 N 0.01 1.88 -0.29 5.12 1.03 -1.24 -1.62 118.70 123.59 1xsb s GLU 84 Ca -0.02 -1.07 -0.14 0.00 0.03 0.00 0.00 54.97 53.77 1xsb s GLU 84 Cb -0.04 -2.05 -0.03 0.00 -0.80 0.00 0.00 34.13 31.21 1xsb s GLU 84 CO 0.02 0.52 0.34 -0.51 -1.33 0.00 0.00 175.26 174.30 1xsb s LEU 85 N -1.32 4.13 -0.18 1.83 1.43 0.32 -4.74 118.68 120.15 1xsb s LEU 85 Ca 0.13 0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 53.32 1xsb s LEU 85 Cb -0.10 -2.36 -0.01 0.00 0.03 0.00 0.00 46.19 43.76 1xsb s LEU 85 CO 0.03 -0.20 -0.09 0.20 0.23 0.00 0.00 176.35 176.51 1xsb s ASN 86 N 1.69 4.04 -0.06 2.29 -0.87 -1.25 -0.73 114.94 120.04 1xsb s ASN 86 Ca 0.13 -0.41 -0.29 0.00 -1.57 0.00 0.00 52.86 50.72 1xsb s ASN 86 Cb -0.16 -1.66 0.11 0.00 -0.02 0.00 0.00 41.25 39.52 1xsb s ASN 86 CO 0.11 0.04 0.88 -0.72 -2.57 0.00 0.00 177.10 174.84 1xsb s TYR 87 N 1.07 -0.41 -0.40 2.20 -0.85 -1.15 -4.93 117.35 112.88 1xsb s TYR 87 Ca 0.00 0.50 -0.03 0.00 -0.52 0.00 0.00 57.07 57.02 1xsb s TYR 87 Cb -0.15 0.49 0.11 0.00 0.38 0.00 0.00 41.96 42.79 1xsb s TYR 87 CO -0.02 -0.50 0.20 0.54 -1.52 0.00 0.00 175.55 174.25 1xsb s VAL 88 N -2.15 3.32 0.00 -3.49 0.11 -1.26 -0.93 120.40 116.00 1xsb s VAL 88 Ca 0.00 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.05 1xsb s VAL 88 Cb -0.01 -3.25 0.00 0.00 -1.53 0.00 0.00 36.38 31.59 1xsb s VAL 88 CO -0.03 -0.66 0.00 0.00 -3.33 0.00 0.00 175.10 171.08 1xsb n ALA 89 N 4.61 0.00 0.08 1.54 0.00 -1.25 -4.55 120.51 120.94 1xsb n ALA 89 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.29 1xsb n ALA 89 Cb 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.44 0.00 0.00 0.11 -2.05 -3.43 114.38 108.57 1xsb h ARG 90 Ca 0.00 0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.11 1xsb h ARG 90 Cb 0.00 0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.18 1xsb h ARG 90 CO 0.00 -0.29 0.00 -1.71 0.10 0.00 0.00 179.97 178.07 1xsb n ASN 91 N -5.39 0.00 -3.72 0.08 5.15 -1.26 -5.13 115.26 104.98 1xsb n ASN 91 Ca -0.05 0.00 -0.16 0.00 -0.60 0.00 0.00 54.58 53.77 1xsb n ASN 91 Cb 0.30 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.40 1xsb n ASN 91 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1xsb s LYS 92 N 0.00 0.02 -0.07 1.20 2.47 -1.26 -5.08 119.74 117.03 1xsb s LYS 92 Ca 0.00 0.38 -0.30 0.00 -1.56 0.00 0.00 55.97 54.49 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 -0.23 1.23 -1.25 0.16 0.00 0.00 175.35 175.26 1xsb s PRO 93 N 1.60 4.33 -0.15 4.03 0.04 -1.26 -3.82 135.00 139.78 1xsb s PRO 93 Ca -0.04 1.69 0.01 0.00 0.04 0.00 0.00 61.00 62.71 1xsb s PRO 93 Cb -0.12 -3.59 0.00 0.00 0.04 0.00 0.00 34.50 30.84 1xsb s PRO 93 CO -0.05 -0.49 -0.19 0.15 0.04 0.00 0.00 177.00 176.46 1xsb s LYS 94 N 2.41 3.11 -0.29 4.56 1.02 -0.11 -1.02 119.74 129.43 1xsb s LYS 94 Ca 0.56 -0.80 -0.18 0.00 0.02 0.00 0.00 55.97 55.57 1xsb s LYS 94 Cb -0.25 -2.54 -0.02 0.00 -0.52 0.00 0.00 37.83 34.50 1xsb s LYS 94 CO 0.21 -0.01 0.51 0.99 -0.92 0.00 0.00 175.35 176.13 1xsb s THR 95 N 0.85 5.05 -0.19 2.17 2.01 -0.90 -2.95 115.64 121.68 1xsb s THR 95 Ca -0.05 0.73 -0.02 0.00 0.31 0.00 0.00 61.69 62.66 1xsb s THR 95 Cb -0.15 -3.86 -0.00 0.00 0.01 0.00 0.00 72.50 68.49 1xsb s THR 95 CO -0.02 0.01 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.12 1xsb s VAL 96 N 2.34 2.93 -0.21 3.82 1.01 0.09 -1.21 120.40 129.17 1xsb s VAL 96 Ca 0.20 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 1xsb s VAL 96 Cb -0.16 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 1xsb s VAL 96 CO 0.10 0.48 0.21 -0.63 0.00 0.00 0.00 175.10 175.26 1xsb s ILE 97 N 1.16 5.34 -0.09 2.22 -1.09 -1.02 0.12 121.20 127.84 1xsb s ILE 97 Ca 0.01 0.32 0.03 0.00 -2.23 0.00 0.00 60.65 58.78 1xsb s ILE 97 Cb -0.14 -3.54 -0.01 0.00 -1.58 0.00 0.00 42.46 37.18 1xsb s ILE 97 CO -0.04 0.37 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.54 1xsb s TYR 98 N 0.79 2.63 -0.05 3.97 2.02 -0.64 -2.54 117.35 123.53 1xsb s TYR 98 Ca 0.11 -0.68 0.03 0.00 -0.37 0.00 0.00 57.07 56.16 1xsb s TYR 98 Cb -0.13 -1.71 -0.03 0.00 -0.40 0.00 0.00 41.96 39.70 1xsb s TYR 98 CO 0.03 -0.19 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.11 1xsb s TRP 99 N 0.02 2.74 0.12 2.71 0.51 -1.26 -3.93 118.94 119.84 1xsb s TRP 99 Ca -0.07 -0.13 -0.30 0.00 -2.12 0.00 0.00 56.10 53.48 1xsb s TRP 99 Cb -0.15 -1.63 -0.07 0.00 -0.81 0.00 0.00 33.47 30.81 1xsb s TRP 99 CO 0.05 0.22 1.17 -0.51 -0.51 0.00 0.00 176.95 177.36 1xsb s LEU 100 N -0.80 4.42 0.10 2.99 1.43 -1.26 -2.05 118.68 123.52 1xsb s LEU 100 Ca 0.12 2.08 0.04 0.00 -1.03 0.00 0.00 54.13 55.34 1xsb s LEU 100 Cb -0.11 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 1xsb s LEU 100 CO 0.01 -0.37 -0.11 0.00 0.23 0.00 0.00 176.35 176.11 1xsb s ALA 101 N 0.45 1.19 -0.11 4.21 0.00 0.15 0.06 121.76 127.71 1xsb s ALA 101 Ca 0.55 -1.22 -0.00 0.00 0.00 0.00 0.00 51.96 51.28 1xsb s ALA 101 Cb -0.30 0.01 0.03 0.00 0.00 0.00 0.00 23.12 22.86 1xsb s ALA 101 CO 0.32 -0.02 -0.07 -2.00 0.00 0.00 0.00 175.76 174.00 1xsb s GLU 102 N -2.81 1.49 0.08 0.00 2.12 -0.60 0.38 118.70 119.35 1xsb s GLU 102 Ca 0.07 -0.25 -0.30 0.00 0.36 0.00 0.00 54.97 54.84 1xsb s GLU 102 Cb -0.03 -1.59 -0.06 0.00 0.26 0.00 0.00 34.13 32.71 1xsb s GLU 102 CO 0.01 -0.28 1.17 0.14 -0.54 0.00 0.00 175.26 175.76 1xsb s VAL 103 N 1.71 4.06 0.23 3.70 -7.23 -1.26 -0.26 120.40 121.35 1xsb s VAL 103 Ca 0.05 1.52 -0.07 0.00 -1.81 0.00 0.00 61.98 61.66 1xsb s VAL 103 Cb -0.13 -3.97 0.19 0.00 0.56 0.00 0.00 36.38 33.03 1xsb s VAL 103 CO -0.08 0.14 1.86 0.11 -0.31 0.00 0.00 175.10 176.82 1xsb h LYS 104 N 6.53 0.94 -5.69 4.82 1.57 -1.27 -3.42 116.57 120.05 1xsb h LYS 104 Ca -0.42 -0.06 -0.65 0.00 -1.87 0.00 0.00 60.65 57.66 1xsb h LYS 104 Cb 1.21 -0.21 -0.07 0.00 0.08 0.00 0.00 32.23 33.24 1xsb h LYS 104 CO 0.79 0.62 -0.41 -0.51 -0.57 0.00 0.00 179.45 179.38 1xsb s ASP 105 N -5.80 6.48 0.11 0.86 1.01 -1.26 -4.99 116.67 113.07 1xsb s ASP 105 Ca -0.13 0.57 -0.15 0.00 0.71 0.00 0.00 52.55 53.55 1xsb s ASP 105 Cb 0.17 -2.12 -0.06 0.00 1.01 0.00 0.00 42.92 41.93 1xsb s ASP 105 CO 0.78 0.36 1.49 0.22 0.21 0.00 0.00 175.17 178.24 1xsb h TYR 106 N 5.12 0.76 -0.44 4.23 3.20 -2.01 -2.31 116.97 125.52 1xsb h TYR 106 Ca -0.53 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.17 1xsb h TYR 106 Cb 1.22 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.31 1xsb h TYR 106 CO 0.73 0.86 0.00 -0.25 -1.64 0.00 0.00 178.16 177.85 1xsb n ASP 107 N -4.39 4.25 -3.82 -2.11 10.43 -1.26 -4.98 116.55 114.67 1xsb n ASP 107 Ca -0.02 -2.58 -0.37 0.00 2.57 0.00 0.00 54.79 54.38 1xsb n ASP 107 Cb 0.36 -0.60 -0.00 0.00 1.84 0.00 0.00 41.12 42.72 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 0.55 0.60 -1.86 2.53 3.14 -0.87 -4.76 118.33 117.66 1xsb n VAL 108 Ca 0.20 -0.44 -0.38 0.00 -2.96 0.00 0.00 64.34 60.75 1xsb n VAL 108 Cb 0.88 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 33.69 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 -0.89 3.33 -0.24 1.45 -1.05 -1.26 -5.00 118.70 115.04 1xsb s GLU 109 Ca 0.53 2.19 0.02 0.00 -0.15 0.00 0.00 54.97 57.56 1xsb s GLU 109 Cb -0.57 -2.35 0.06 0.00 -0.44 0.00 0.00 34.13 30.82 1xsb s GLU 109 CO 0.56 -1.02 -0.08 0.42 0.95 0.00 0.00 175.26 176.09 1xsb s ILE 110 N -1.32 1.79 -0.32 1.83 -1.09 -1.25 -4.43 121.20 116.41 1xsb s ILE 110 Ca 0.68 -1.39 -0.10 0.00 -2.23 0.00 0.00 60.65 57.61 1xsb s ILE 110 Cb -0.39 -1.99 -0.01 0.00 -1.58 0.00 0.00 42.46 38.49 1xsb s ILE 110 CO 0.47 -0.07 0.17 -0.13 -1.23 0.00 0.00 174.94 174.15 1xsb s ARG 111 N 1.28 3.32 -0.14 2.79 0.52 1.67 -4.88 118.95 123.52 1xsb s ARG 111 Ca -0.07 -0.74 -0.06 0.00 -0.52 0.00 0.00 55.73 54.34 1xsb s ARG 111 Cb -0.19 -3.62 -0.04 0.00 0.52 0.00 0.00 34.95 31.61 1xsb s ARG 111 CO -0.06 -0.44 0.09 -0.51 0.02 0.00 0.00 175.30 174.40 1xsb s LEU 112 N 1.63 4.07 0.73 2.53 1.43 -1.26 -0.32 118.68 127.49 1xsb s LEU 112 Ca 0.05 0.28 -0.08 0.00 -1.03 0.00 0.00 54.13 53.35 1xsb s LEU 112 Cb -0.17 -2.00 0.06 0.00 0.03 0.00 0.00 46.19 44.12 1xsb s LEU 112 CO 0.07 0.32 1.06 -0.94 0.23 0.00 0.00 176.35 177.09 1xsb s SER 113 N -0.49 4.76 0.60 2.29 1.04 -1.26 -4.84 113.70 115.80 1xsb s SER 113 Ca 0.11 0.56 0.28 0.00 0.48 0.00 0.00 55.95 57.38 1xsb s SER 113 Cb -0.12 -1.18 1.45 0.00 0.10 0.00 0.00 66.02 66.28 1xsb s SER 113 CO 0.02 -1.66 1.86 1.12 0.98 0.00 0.00 173.24 175.55 1xsb h HIS 114 N -0.71 0.00 -0.22 5.02 2.07 -1.99 0.47 115.15 119.80 1xsb h HIS 114 Ca -0.45 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.03 1xsb h HIS 114 Cb 1.32 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.28 1xsb h HIS 114 CO 0.33 0.00 -0.04 0.93 -3.07 0.00 0.00 177.93 176.09 1xsb h GLU 115 N 0.00 0.33 -6.44 5.12 4.39 -1.91 -3.42 114.58 112.65 1xsb h GLU 115 Ca 0.20 -0.06 -0.70 0.00 0.34 0.00 0.00 59.36 59.14 1xsb h GLU 115 Cb 1.21 -0.05 -0.28 0.00 -0.10 0.00 0.00 28.75 29.53 1xsb h GLU 115 CO -0.00 0.39 -0.85 -1.01 -1.16 0.00 0.00 179.01 176.38 1xsb s HIS 116 N -4.91 2.46 -0.20 4.33 3.76 0.17 -3.79 115.29 117.11 1xsb s HIS 116 Ca -0.06 -0.39 0.10 0.00 -0.15 0.00 0.00 55.06 54.56 1xsb s HIS 116 Cb 0.16 -1.55 -0.19 0.00 1.11 0.00 0.00 32.58 32.10 1xsb s HIS 116 CO 0.74 0.01 -0.05 0.00 -0.85 0.00 0.00 174.74 174.59 1xsb n GLN 117 N 2.47 0.87 -3.83 1.40 10.64 -1.23 -4.19 117.38 123.52 1xsb n GLN 117 Ca -0.17 0.05 -0.09 0.00 -1.83 0.00 0.00 57.00 54.96 1xsb n GLN 117 Cb 0.51 -1.46 -0.06 0.00 -0.86 0.00 0.00 30.24 28.37 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 -2.44 -0.39 0.13 2.61 0.00 -1.26 -4.98 121.76 115.42 1xsb s ALA 118 Ca -0.18 -0.54 0.03 0.00 0.00 0.00 0.00 51.96 51.28 1xsb s ALA 118 Cb 0.06 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 1xsb s ALA 118 CO 0.65 -0.62 -0.08 1.52 0.00 0.00 0.00 175.76 177.23 1xsb s TYR 119 N -3.89 1.13 0.03 0.00 1.13 -1.26 0.29 117.35 114.78 1xsb s TYR 119 Ca 0.09 -0.83 0.01 0.00 -1.41 0.00 0.00 57.07 54.93 1xsb s TYR 119 Cb 0.03 -0.60 -0.02 0.00 -1.10 0.00 0.00 41.96 40.27 1xsb s TYR 119 CO -0.06 -0.02 -0.05 1.03 -2.51 0.00 0.00 175.55 173.93 1xsb s ARG 120 N -3.79 0.40 -0.37 -3.49 0.52 -0.28 -4.94 118.95 106.99 1xsb s ARG 120 Ca 0.15 -0.63 -0.07 0.00 -0.52 0.00 0.00 55.73 54.67 1xsb s ARG 120 Cb 0.04 -0.09 0.06 0.00 0.52 0.00 0.00 34.95 35.48 1xsb s ARG 120 CO -0.01 0.00 0.16 -1.58 0.02 0.00 0.00 175.30 173.89 1xsb s TRP 121 N -1.31 3.31 0.37 -0.53 0.52 -1.26 -2.80 118.94 117.24 1xsb s TRP 121 Ca -0.12 -1.56 0.03 0.00 0.02 0.00 0.00 56.10 54.47 1xsb s TRP 121 Cb -0.09 -2.56 -0.04 0.00 -1.15 0.00 0.00 33.47 29.63 1xsb s TRP 121 CO -0.00 -0.79 0.09 -0.51 0.02 0.00 0.00 176.95 175.76 1xsb s LEU 122 N 1.38 2.07 0.00 2.99 1.02 -1.25 -4.94 118.68 119.95 1xsb s LEU 122 Ca 0.01 -1.53 -0.08 0.00 0.02 0.00 0.00 54.13 52.54 1xsb s LEU 122 Cb -0.21 -0.25 0.14 0.00 0.02 0.00 0.00 46.19 45.89 1xsb s LEU 122 CO 0.02 -0.78 0.86 0.61 0.02 0.00 0.00 176.35 177.08 1xsb n GLY 123 N -0.81 -0.85 0.35 -3.19 0.00 -1.26 -1.80 105.19 97.63 1xsb n GLY 123 Ca -0.05 -1.78 -0.02 0.00 0.00 0.00 0.00 46.02 44.18 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 1.05 0.35 0.99 5.85 -1.88 0.30 115.31 121.97 1xsb h LEU 124 Ca -0.28 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 1xsb h LEU 124 Cb 0.82 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1xsb h LEU 124 CO 0.22 0.74 -0.25 1.05 -0.34 0.00 0.00 178.44 179.87 1xsb h GLU 125 N 1.23 -0.57 -0.12 1.25 4.11 -1.95 0.40 114.58 118.94 1xsb h GLU 125 Ca 0.36 0.04 -0.05 0.00 0.07 0.00 0.00 59.36 59.77 1xsb h GLU 125 Cb -0.08 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1xsb h GLU 125 CO -0.10 -0.38 -0.14 0.93 0.07 0.00 0.00 179.01 179.40 1xsb h GLU 126 N -0.59 0.31 -0.83 1.06 3.07 -1.88 0.34 114.58 116.05 1xsb h GLU 126 Ca -0.03 -0.17 0.19 0.00 -0.50 0.00 0.00 59.36 58.85 1xsb h GLU 126 Cb 0.50 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.37 1xsb h GLU 126 CO 0.01 0.72 0.56 0.00 -1.40 0.00 0.00 179.01 178.90 1xsb h ALA 127 N 0.58 2.24 0.03 3.43 0.00 -0.32 0.59 119.26 125.81 1xsb h ALA 127 Ca 0.02 0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.67 1xsb h ALA 127 Cb 0.68 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.45 1xsb h ALA 127 CO 0.03 -0.49 -1.06 0.00 0.00 0.00 0.00 179.25 177.73 1xsb h GLN 129 N 0.30 0.29 -0.41 0.00 -0.00 0.40 -3.02 115.11 112.67 1xsb h GLN 129 Ca -0.13 -0.08 -0.07 0.00 -0.00 0.00 0.00 58.65 58.37 1xsb h GLN 129 Cb 1.72 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.48 29.15 1xsb h GLN 129 CO 0.20 0.45 -0.04 -0.07 -0.00 0.00 0.00 178.83 179.37 1xsb h LEU 130 N 0.09 0.74 -4.65 0.06 3.38 -0.29 -3.05 115.31 111.59 1xsb h LEU 130 Ca 0.06 -0.33 -0.50 0.00 0.09 0.00 0.00 57.88 57.20 1xsb h LEU 130 Cb 0.29 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1xsb h LEU 130 CO 0.00 0.89 2.35 0.00 0.09 0.00 0.00 178.44 181.77 1xsb n ALA 131 N -2.42 7.16 -0.36 1.53 0.00 -0.53 -3.61 120.51 122.27 1xsb n ALA 131 Ca -0.01 -2.93 0.32 0.00 0.00 0.00 0.00 53.44 50.83 1xsb n ALA 131 Cb 0.32 -3.00 0.56 0.00 0.00 0.00 0.00 19.45 17.33 1xsb n ALA 131 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1xsb n GLN 132 N 3.19 -0.04 -1.68 0.00 1.13 -1.16 -3.75 117.38 115.07 1xsb n GLN 132 Ca 0.66 1.14 -0.45 0.00 -1.94 0.00 0.00 57.00 56.40 1xsb n GLN 132 Cb 0.48 -2.16 -0.04 0.00 0.11 0.00 0.00 30.24 28.63 1xsb n GLN 132 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1xsb n PHE 133 N -4.65 2.42 -0.17 1.08 3.01 -1.26 -4.83 117.46 113.06 1xsb n PHE 133 Ca 0.34 0.04 0.06 0.00 1.01 0.00 0.00 57.45 58.90 1xsb n PHE 133 Cb 1.28 -2.65 0.36 0.00 -0.01 0.00 0.00 39.48 38.46 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 7.84 0.72 -0.70 -1.08 3.64 -1.96 -0.83 116.57 124.20 1xsb h LYS 134 Ca -0.46 -0.04 0.11 0.00 -1.27 0.00 0.00 60.65 58.98 1xsb h LYS 134 Cb 1.25 -0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 32.82 1xsb h LYS 134 CO 0.93 0.48 0.30 0.93 -2.27 0.00 0.00 179.45 179.82 1xsb h GLU 135 N 0.74 0.48 0.08 1.90 5.08 -1.89 1.14 114.58 122.12 1xsb h GLU 135 Ca 0.30 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.50 1xsb h GLU 135 Cb 0.22 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.37 1xsb h GLU 135 CO -0.09 0.32 -0.54 0.52 -1.00 0.00 0.00 179.01 178.21 1xsb h MET 136 N 0.50 0.22 -0.73 2.33 2.86 -1.62 0.48 114.93 118.98 1xsb h MET 136 Ca 0.36 -0.35 0.13 0.00 -2.06 0.00 0.00 59.70 57.78 1xsb h MET 136 Cb 0.47 0.13 -0.05 0.00 0.06 0.00 0.00 31.60 32.20 1xsb h MET 136 CO -0.33 1.14 0.48 0.87 1.06 0.00 0.00 176.91 180.14 1xsb h LYS 137 N -0.52 0.45 -0.02 1.72 1.57 -0.75 1.50 116.57 120.53 1xsb h LYS 137 Ca -0.09 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.55 1xsb h LYS 137 Cb 1.40 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 33.62 1xsb h LYS 137 CO 0.10 0.30 -0.43 0.00 -0.57 0.00 0.00 179.45 178.85 1xsb h ALA 138 N 1.65 0.08 -0.16 3.86 0.00 0.14 0.12 119.26 124.96 1xsb h ALA 138 Ca 0.35 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1xsb h ALA 138 Cb 0.71 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1xsb h ALA 138 CO -0.11 0.24 0.07 0.00 0.00 0.00 0.00 179.25 179.44 1xsb h ALA 139 N 0.34 0.18 -0.07 0.00 0.00 0.26 1.92 119.26 121.88 1xsb h ALA 139 Ca -0.05 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1xsb h ALA 139 Cb 1.13 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1xsb h ALA 139 CO 0.09 -0.37 -0.14 -0.07 0.00 0.00 0.00 179.25 178.75 1xsb h LEU 140 N 0.15 0.09 0.06 0.00 3.38 0.19 -0.32 115.31 118.86 1xsb h LEU 140 Ca 0.06 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1xsb h LEU 140 Cb 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1xsb h LEU 140 CO -0.05 0.25 -0.03 1.56 0.09 0.00 0.00 178.44 180.26 1xsb h GLN 141 N 0.10 -0.07 -0.47 1.13 1.08 0.17 -2.95 115.11 114.09 1xsb h GLN 141 Ca 0.02 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.16 1xsb h GLN 141 Cb 0.32 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 1xsb h GLN 141 CO 0.02 0.53 0.04 0.93 -0.95 0.00 0.00 178.83 179.41 1xsb h GLU 142 N -0.80 0.75 0.09 1.46 5.08 0.30 -1.23 114.58 120.24 1xsb h GLU 142 Ca -0.01 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1xsb h GLU 142 Cb 0.64 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1xsb h GLU 142 CO 0.01 0.73 -0.05 0.78 -1.00 0.00 0.00 179.01 179.48 1xsb h GLY 143 N 0.95 -0.14 1.02 -3.84 0.00 -1.14 -0.82 103.07 99.11 1xsb h GLY 143 Ca 0.15 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1xsb h GLY 143 CO 0.01 -0.06 0.50 0.84 0.00 0.00 0.00 176.54 177.83 1xsb h HIS 144 N -0.14 1.15 -0.62 5.60 -0.00 -1.33 -0.23 115.15 119.58 1xsb h HIS 144 Ca -0.01 -0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.39 1xsb h HIS 144 Cb 0.12 -0.37 -0.05 0.00 -0.00 0.00 0.00 27.41 27.11 1xsb h HIS 144 CO -0.08 0.78 0.36 0.37 -0.00 0.00 0.00 177.93 179.35 1xsb h GLN 145 N 1.18 0.66 -0.01 5.26 5.75 -0.68 -1.26 115.11 126.01 1xsb h GLN 145 Ca 0.30 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.71 1xsb h GLN 145 Cb -0.02 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.39 1xsb h GLN 145 CO -0.05 0.44 -0.20 0.35 -2.65 0.00 0.00 178.83 176.72 1xsb h PHE 146 N 0.68 0.22 -0.58 3.99 3.04 -0.72 -3.22 116.94 120.35 1xsb h PHE 146 Ca 0.27 -0.11 0.12 0.00 3.98 0.00 0.00 57.97 62.22 1xsb h PHE 146 Cb 0.11 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.56 1xsb h PHE 146 CO -0.07 0.88 0.39 -0.07 -2.02 0.00 0.00 178.31 177.42 1xsb h LEU 147 N -0.51 0.26 -0.97 0.59 3.38 -0.94 0.72 115.31 117.83 1xsb h LEU 147 Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xsb h LEU 147 Cb 0.93 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1xsb h LEU 147 CO 0.04 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.72 1xsb n SER 149 N -2.49 0.48 0.00 0.00 7.64 0.25 -4.80 113.62 114.70 1xsb n SER 149 Ca 0.01 -0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.60 1xsb n SER 149 Cb 0.24 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 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 -1.22 0.00 0.00 0.44 5.41 -0.83 -5.11 119.36 118.05 1xsb n ILE 150 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.84 1xsb n ILE 150 Cb 0.32 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.25 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 0.00 0.38 2.13 -1.26 -5.07 120.64 116.82 1xsb n GLU 151 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1xsb n GLU 151 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 -1.31 0.00 -0.31 4.31 0.00 -1.26 -5.10 120.51 116.84 1xsb n ALA 152 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xsb n ALA 152 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1xsb n ALA 152 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39