#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 -6.20 1.61 0.13 -2.08 -3.39 132.00 122.08 1xsb h PRO 2 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 1xsb h PRO 2 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 1xsb h PRO 2 CO 0.00 0.56 0.09 -0.51 -0.23 0.00 0.00 178.00 177.91 1xsb s LEU 3 N -7.49 4.43 0.00 1.56 1.02 -1.26 -3.46 118.68 113.48 1xsb s LEU 3 Ca -0.01 1.32 0.00 0.00 0.02 0.00 0.00 54.13 55.46 1xsb s LEU 3 Cb 0.12 -3.11 0.00 0.00 0.02 0.00 0.00 46.19 43.23 1xsb s LEU 3 CO 0.74 0.04 0.00 0.61 0.02 0.00 0.00 176.35 177.76 1xsb n GLY 4 N 2.47 1.11 0.23 -3.19 0.00 -1.26 -4.87 105.19 99.69 1xsb n GLY 4 Ca -0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.11 1xsb n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xsb n SER 5 N 0.00 0.71 -4.64 1.61 7.64 -1.23 -4.78 113.62 112.94 1xsb n SER 5 Ca 0.00 -1.35 -0.42 0.00 1.01 0.00 0.00 58.87 58.11 1xsb n SER 5 Cb 0.00 -0.02 -0.04 0.00 -1.01 0.00 0.00 64.21 63.14 1xsb n SER 5 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1xsb s MET 6 N -1.96 4.13 0.21 1.43 0.00 -1.26 -4.89 119.30 116.96 1xsb s MET 6 Ca 0.38 0.86 0.00 0.00 0.00 0.00 0.00 55.69 56.93 1xsb s MET 6 Cb 0.19 -3.66 0.00 0.00 0.00 0.00 0.00 34.83 31.36 1xsb s MET 6 CO 0.31 -0.56 0.00 0.00 0.00 0.00 0.00 175.02 174.77 1xsb n ALA 7 N 6.06 -2.74 -2.73 4.11 0.00 -1.26 -4.79 120.51 119.17 1xsb n ALA 7 Ca 0.05 0.31 -0.35 0.00 0.00 0.00 0.00 53.44 53.45 1xsb n ALA 7 Cb 0.48 -0.92 -0.09 0.00 0.00 0.00 0.00 19.45 18.92 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 -4.90 3.76 -0.02 0.00 1.02 0.66 -4.99 118.68 114.21 1xsb s LEU 8 Ca 0.00 0.20 -0.18 0.00 0.02 0.00 0.00 54.13 54.17 1xsb s LEU 8 Cb 0.00 -1.91 -0.05 0.00 0.02 0.00 0.00 46.19 44.25 1xsb s LEU 8 CO 0.00 0.37 0.50 -0.60 0.02 0.00 0.00 176.35 176.65 1xsb s ARG 9 N -0.99 4.19 0.04 1.70 3.52 -1.26 -1.03 118.95 125.12 1xsb s ARG 9 Ca 0.14 0.56 -0.04 0.00 -0.13 0.00 0.00 55.73 56.27 1xsb s ARG 9 Cb -0.11 -3.32 -0.02 0.00 -1.56 0.00 0.00 34.95 29.94 1xsb s ARG 9 CO 0.04 0.45 0.05 0.00 -0.81 0.00 0.00 175.30 175.02 1xsb s ALA 10 N -0.37 0.11 -0.13 6.12 0.00 0.11 -3.41 121.76 124.19 1xsb s ALA 10 Ca 0.27 -0.75 -0.05 0.00 0.00 0.00 0.00 51.96 51.43 1xsb s ALA 10 Cb -0.17 0.26 0.06 0.00 0.00 0.00 0.00 23.12 23.27 1xsb s ALA 10 CO 0.14 -0.33 0.28 0.00 0.00 0.00 0.00 175.76 175.85 1xsb s GLY 12 N 1.97 2.55 -0.18 0.00 0.00 -0.98 -3.22 107.32 107.46 1xsb s GLY 12 Ca -0.03 -1.32 0.01 0.00 0.00 0.00 0.00 44.72 43.38 1xsb s GLY 12 CO -0.09 -1.89 -0.16 1.08 0.00 0.00 0.00 173.10 172.04 1xsb s LEU 13 N -3.62 2.12 -0.61 0.66 1.43 -0.90 -3.86 118.68 113.89 1xsb s LEU 13 Ca 0.24 -0.70 -0.25 0.00 -1.03 0.00 0.00 54.13 52.39 1xsb s LEU 13 Cb 0.04 -1.34 0.04 0.00 0.03 0.00 0.00 46.19 44.96 1xsb s LEU 13 CO 0.13 -0.06 1.05 -0.63 0.23 0.00 0.00 176.35 177.07 1xsb s ILE 14 N 1.36 4.20 -0.03 -0.59 1.01 -0.67 -4.33 121.20 122.14 1xsb s ILE 14 Ca 0.03 0.28 -0.14 0.00 0.00 0.00 0.00 60.65 60.81 1xsb s ILE 14 Cb -0.14 -4.67 -0.05 0.00 0.01 0.00 0.00 42.46 37.61 1xsb s ILE 14 CO -0.11 -1.35 0.39 -0.63 0.00 0.00 0.00 174.94 173.24 1xsb s ILE 15 N 4.46 5.09 -0.05 2.92 1.01 -1.26 0.23 121.20 133.59 1xsb s ILE 15 Ca 0.32 0.79 -0.01 0.00 0.00 0.00 0.00 60.65 61.75 1xsb s ILE 15 Cb -0.12 -3.70 0.03 0.00 0.01 0.00 0.00 42.46 38.68 1xsb s ILE 15 CO 0.18 0.55 0.02 0.72 0.00 0.00 0.00 174.94 176.40 1xsb s PHE 16 N -0.84 0.42 -0.35 3.97 -0.71 1.10 -1.80 117.98 119.77 1xsb s PHE 16 Ca 0.23 -0.00 -0.24 0.00 -1.04 0.00 0.00 56.93 55.87 1xsb s PHE 16 Cb -0.16 -0.63 0.01 0.00 -1.21 0.00 0.00 43.02 41.03 1xsb s PHE 16 CO 0.12 -0.25 0.85 0.50 -1.34 0.00 0.00 175.22 175.10 1xsb s ARG 17 N 1.85 3.83 0.04 1.99 3.52 0.11 -3.92 118.95 126.38 1xsb s ARG 17 Ca 0.02 0.49 -0.18 0.00 -0.13 0.00 0.00 55.73 55.93 1xsb s ARG 17 Cb -0.12 -3.79 -0.06 0.00 -1.56 0.00 0.00 34.95 29.41 1xsb s ARG 17 CO -0.04 -0.86 0.52 0.50 -0.81 0.00 0.00 175.30 174.62 1xsb s ARG 18 N 3.24 4.14 -0.13 5.12 3.52 -1.26 -2.82 118.95 130.75 1xsb s ARG 18 Ca 0.35 0.64 -0.06 0.00 -0.13 0.00 0.00 55.73 56.52 1xsb s ARG 18 Cb -0.13 -3.25 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 1xsb s ARG 18 CO 0.17 0.62 0.10 0.00 -0.81 0.00 0.00 175.30 175.38 1xsb h LEU 20 N 5.41 0.90 -7.65 0.00 5.85 -1.97 -3.44 115.31 114.41 1xsb h LEU 20 Ca -0.50 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.16 1xsb h LEU 20 Cb 1.21 -0.16 -0.15 0.00 0.37 0.00 0.00 40.66 41.93 1xsb h LEU 20 CO 0.61 0.54 -0.28 0.27 -0.34 0.00 0.00 178.44 179.25 1xsb s ILE 21 N -6.03 0.11 0.72 4.05 -4.36 -1.26 -5.15 121.20 109.28 1xsb s ILE 21 Ca -0.12 -0.90 -0.15 0.00 -0.26 0.00 0.00 60.65 59.21 1xsb s ILE 21 Cb 0.20 -1.16 0.03 0.00 1.25 0.00 0.00 42.46 42.78 1xsb s ILE 21 CO 0.80 -0.50 1.22 -2.84 0.24 0.00 0.00 174.94 173.86 1xsb s PRO 22 N -3.41 2.18 0.00 0.37 0.02 -1.26 -5.00 135.00 127.90 1xsb s PRO 22 Ca 0.01 1.81 0.00 0.00 0.02 0.00 0.00 61.00 62.84 1xsb s PRO 22 Cb 0.02 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.71 1xsb s PRO 22 CO -0.09 -1.81 0.00 1.63 -0.33 0.00 0.00 177.00 176.40 1xsb n LYS 23 N -2.61 0.00 0.00 5.54 4.76 -1.26 -4.81 118.16 119.78 1xsb n LYS 23 Ca 0.14 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.69 1xsb n LYS 23 Cb 0.50 0.00 0.62 0.00 -1.84 0.00 0.00 35.03 34.31 1xsb n LYS 23 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1xsb n VAL 24 N -0.86 0.16 -3.48 -0.18 0.31 -1.26 -4.86 118.33 108.17 1xsb n VAL 24 Ca 0.00 0.04 -0.20 0.00 -0.01 0.00 0.00 64.34 64.16 1xsb n VAL 24 Cb 0.00 -0.68 0.08 0.00 -0.91 0.00 0.00 33.84 32.33 1xsb n VAL 24 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1xsb n ASP 25 N -1.14 -4.79 0.00 4.52 10.43 -1.26 -4.93 116.55 119.38 1xsb n ASP 25 Ca 0.14 -0.54 0.00 0.00 2.57 0.00 0.00 54.79 56.96 1xsb n ASP 25 Cb 0.13 -4.82 0.00 0.00 1.84 0.00 0.00 41.12 38.26 1xsb n ASP 25 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1xsb n ASN 26 N -2.86 0.00 -4.29 -2.24 5.15 -1.26 -5.03 115.26 104.73 1xsb n ASN 26 Ca -0.09 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.51 1xsb n ASN 26 Cb 0.59 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.73 1xsb n ASN 26 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1xsb s ASN 27 N 1.00 5.47 0.15 1.20 0.01 -1.26 -4.95 114.94 116.56 1xsb s ASN 27 Ca 0.00 -1.19 -0.09 0.00 -0.71 0.00 0.00 52.86 50.87 1xsb s ASN 27 Cb 0.00 -1.93 -0.03 0.00 0.41 0.00 0.00 41.25 39.71 1xsb s ASN 27 CO 0.00 -0.38 1.43 0.00 -1.51 0.00 0.00 177.10 176.64 1xsb h ALA 28 N 8.30 0.53 -4.31 0.60 0.00 -1.97 -3.44 119.26 118.97 1xsb h ALA 28 Ca -0.23 -0.52 -0.69 0.00 0.00 0.00 0.00 54.91 53.46 1xsb h ALA 28 Cb 1.09 -0.08 -0.26 0.00 0.00 0.00 0.00 17.79 18.54 1xsb h ALA 28 CO 0.65 0.69 -0.85 0.42 0.00 0.00 0.00 179.25 180.16 1xsb s ILE 29 N -4.06 2.43 0.20 0.00 1.01 -1.26 -3.51 121.20 116.01 1xsb s ILE 29 Ca -0.10 -1.08 0.09 0.00 0.00 0.00 0.00 60.65 59.56 1xsb s ILE 29 Cb 0.10 -1.92 -0.05 0.00 0.01 0.00 0.00 42.46 40.61 1xsb s ILE 29 CO 0.88 0.50 -0.17 -1.61 0.00 0.00 0.00 174.94 174.54 1xsb s GLU 30 N -0.89 1.38 0.19 2.79 2.02 -1.13 -3.96 118.70 119.10 1xsb s GLU 30 Ca 0.11 -1.55 0.11 0.00 0.02 0.00 0.00 54.97 53.66 1xsb s GLU 30 Cb -0.10 -1.34 -0.04 0.00 0.10 0.00 0.00 34.13 32.74 1xsb s GLU 30 CO 0.01 0.25 -0.23 -0.06 0.02 0.00 0.00 175.26 175.25 1xsb s PHE 31 N -2.50 2.32 -0.08 1.61 0.40 -0.75 0.09 117.98 119.08 1xsb s PHE 31 Ca 0.21 -0.35 -0.26 0.00 -0.60 0.00 0.00 56.93 55.93 1xsb s PHE 31 Cb -0.04 -1.16 -0.03 0.00 0.51 0.00 0.00 43.02 42.31 1xsb s PHE 31 CO 0.08 0.49 0.83 -1.17 0.70 0.00 0.00 175.22 176.15 1xsb s LEU 32 N -2.64 4.29 -0.07 -0.37 2.96 -0.74 -3.81 118.68 118.30 1xsb s LEU 32 Ca 0.21 1.32 0.03 0.00 -0.22 0.00 0.00 54.13 55.47 1xsb s LEU 32 Cb -0.08 -3.28 0.01 0.00 0.50 0.00 0.00 46.19 43.34 1xsb s LEU 32 CO 0.10 -0.25 -0.14 -0.76 -1.32 0.00 0.00 176.35 173.97 1xsb s LEU 33 N 1.31 1.73 -0.09 -0.68 1.43 -1.18 -4.56 118.68 116.63 1xsb s LEU 33 Ca 0.42 -0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 53.14 1xsb s LEU 33 Cb -0.18 -0.93 -0.04 0.00 0.03 0.00 0.00 46.19 45.07 1xsb s LEU 33 CO 0.19 0.06 0.06 -0.76 0.23 0.00 0.00 176.35 176.13 1xsb s LEU 34 N 0.60 3.94 -0.15 1.79 1.43 -1.01 -1.88 118.68 123.40 1xsb s LEU 34 Ca -0.15 0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 53.09 1xsb s LEU 34 Cb -0.16 -1.95 -0.05 0.00 0.03 0.00 0.00 46.19 44.06 1xsb s LEU 34 CO 0.05 0.38 0.30 -1.58 0.23 0.00 0.00 176.35 175.74 1xsb s GLN 35 N -1.00 4.22 0.57 1.70 0.74 1.08 -2.25 119.66 124.71 1xsb s GLN 35 Ca 0.15 0.12 -0.21 0.00 0.05 0.00 0.00 55.36 55.47 1xsb s GLN 35 Cb -0.12 -3.41 -0.04 0.00 1.10 0.00 0.00 33.01 30.55 1xsb s GLN 35 CO 0.04 0.27 1.31 0.00 -0.55 0.00 0.00 175.29 176.36 1xsb n ALA 36 N 3.44 1.37 1.60 1.58 0.00 -1.14 -1.25 120.51 126.10 1xsb n ALA 36 Ca -0.12 0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.55 1xsb n ALA 36 Cb 0.52 -2.33 0.78 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.17 0.00 -1.36 0.00 3.41 0.31 -4.48 113.62 110.33 1xsb n SER 37 Ca 0.12 -0.62 -0.02 0.00 -0.26 0.00 0.00 58.87 58.09 1xsb n SER 37 Cb 0.45 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 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 -1.10 -0.41 -0.00 4.04 2.03 -1.26 -4.98 116.55 114.87 1xsb n ASP 38 Ca 0.18 -1.32 0.00 0.00 0.52 0.00 0.00 54.79 54.17 1xsb n ASP 38 Cb 0.14 0.70 0.00 0.00 -0.72 0.00 0.00 41.12 41.24 1xsb n ASP 38 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xsb n GLY 39 N -0.11 -1.50 0.00 0.27 0.00 -1.26 -3.35 105.19 99.24 1xsb n GLY 39 Ca -0.01 -1.31 0.06 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.61 -0.61 -5.35 -1.26 -4.79 119.36 104.75 1xsb n ILE 40 Ca 0.00 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.40 1xsb n ILE 40 Cb 0.00 -0.54 0.02 0.00 -1.74 0.00 0.00 39.64 37.38 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 -0.82 -0.79 -1.89 4.28 8.25 -1.21 -4.99 115.22 118.05 1xsb n HIS 41 Ca 0.09 0.23 -0.35 0.00 -0.26 0.00 0.00 57.72 57.42 1xsb n HIS 41 Cb 0.04 -2.33 0.04 0.00 1.12 0.00 0.00 29.99 28.87 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 -2.83 2.39 -0.13 4.41 -3.43 -1.26 -4.64 115.29 109.80 1xsb s HIS 42 Ca 0.13 1.54 -0.05 0.00 -0.80 0.00 0.00 55.06 55.88 1xsb s HIS 42 Cb -0.06 -3.41 -0.04 0.00 -1.43 0.00 0.00 32.58 27.65 1xsb s HIS 42 CO 0.16 -2.13 0.04 -1.58 -2.00 0.00 0.00 174.74 169.24 1xsb s TRP 43 N -1.81 3.26 0.01 0.38 0.52 -1.25 -2.90 118.94 117.14 1xsb s TRP 43 Ca 0.75 0.16 -0.21 0.00 0.02 0.00 0.00 56.10 56.82 1xsb s TRP 43 Cb -0.28 -1.94 0.04 0.00 -1.15 0.00 0.00 33.47 30.15 1xsb s TRP 43 CO 0.36 0.35 0.46 0.95 0.02 0.00 0.00 176.95 179.09 1xsb s THR 44 N -0.32 0.04 0.73 2.01 -4.23 -0.96 -4.27 115.64 108.63 1xsb s THR 44 Ca 0.08 -0.33 -0.15 0.00 -1.18 0.00 0.00 61.69 60.12 1xsb s THR 44 Cb -0.12 -0.87 0.04 0.00 1.34 0.00 0.00 72.50 72.89 1xsb s THR 44 CO 0.02 -0.18 1.18 -2.16 -0.54 0.00 0.00 174.62 172.94 1xsb s PRO 45 N -1.85 2.21 -0.24 3.99 0.04 -1.26 -2.40 135.00 135.49 1xsb s PRO 45 Ca -0.09 1.67 -0.32 0.00 0.04 0.00 0.00 61.00 62.31 1xsb s PRO 45 Cb -0.02 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.59 1xsb s PRO 45 CO 0.02 -1.76 2.15 -0.35 0.04 0.00 0.00 177.00 177.10 1xsb n PRO 46 N -2.75 1.70 -4.10 0.56 -0.04 -1.26 -4.80 135.00 124.32 1xsb n PRO 46 Ca 0.13 0.50 -0.09 0.00 -0.04 0.00 0.00 63.50 64.00 1xsb n PRO 46 Cb 0.51 -2.85 -0.10 0.00 -0.04 0.00 0.00 33.50 31.01 1xsb n PRO 46 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1xsb s LYS 47 N 5.89 0.64 0.01 0.54 -2.85 -1.26 -2.11 119.74 120.59 1xsb s LYS 47 Ca 1.02 -1.14 -0.00 0.00 -1.00 0.00 0.00 55.97 54.85 1xsb s LYS 47 Cb -0.59 0.03 0.00 0.00 -2.06 0.00 0.00 37.83 35.21 1xsb s LYS 47 CO 0.43 -0.06 0.01 0.41 0.10 0.00 0.00 175.35 176.24 1xsb n GLY 48 N 0.36 2.33 3.79 0.59 0.00 -1.20 -4.99 105.19 106.08 1xsb n GLY 48 Ca -0.15 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.38 1xsb n GLY 48 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xsb s HIS 49 N -7.71 3.49 0.06 1.61 3.76 -1.26 -2.73 115.29 112.51 1xsb s HIS 49 Ca 0.00 0.42 -0.27 0.00 -0.15 0.00 0.00 55.06 55.05 1xsb s HIS 49 Cb -0.00 -2.06 -0.05 0.00 1.11 0.00 0.00 32.58 31.58 1xsb s HIS 49 CO 0.00 0.49 0.86 0.54 -0.85 0.00 0.00 174.74 175.78 1xsb s VAL 50 N -0.25 4.68 0.69 -0.90 0.11 -1.22 -4.93 120.40 118.57 1xsb s VAL 50 Ca 0.11 1.84 -0.12 0.00 -2.93 0.00 0.00 61.98 60.88 1xsb s VAL 50 Cb -0.11 -4.21 0.18 0.00 -1.53 0.00 0.00 36.38 30.70 1xsb s VAL 50 CO 0.01 0.32 0.50 1.21 -3.33 0.00 0.00 175.10 173.80 1xsb n GLU 51 N 2.98 -2.83 0.01 1.54 2.13 -1.26 -4.93 120.64 118.27 1xsb n GLU 51 Ca 0.00 -0.82 -0.00 0.00 0.66 0.00 0.00 57.16 57.00 1xsb n GLU 51 Cb 0.50 -0.91 -0.00 0.00 0.27 0.00 0.00 31.44 31.30 1xsb n GLU 51 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1xsb h PRO 52 N 0.00 -0.03 -0.85 5.31 0.13 -1.99 -3.30 132.00 131.27 1xsb h PRO 52 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1xsb h PRO 52 Cb 0.66 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1xsb h PRO 52 CO 0.13 -0.02 0.00 0.41 -0.23 0.00 0.00 178.00 178.29 1xsb n GLY 53 N 1.39 1.20 3.87 1.56 0.00 -1.26 -4.82 105.19 107.14 1xsb n GLY 53 Ca -0.00 0.00 -0.32 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 -1.08 3.84 0.82 1.61 2.12 -1.25 -5.06 118.70 119.69 1xsb s GLU 54 Ca 0.00 0.34 -0.11 0.00 0.36 0.00 0.00 54.97 55.56 1xsb s GLU 54 Cb 0.00 -2.64 0.08 0.00 0.26 0.00 0.00 34.13 31.83 1xsb s GLU 54 CO 0.00 0.31 1.09 0.34 -0.54 0.00 0.00 175.26 176.46 1xsb s ASP 55 N -2.30 4.20 -0.04 -1.70 2.15 -1.26 -4.80 116.67 112.91 1xsb s ASP 55 Ca 0.47 1.55 -0.04 0.00 0.43 0.00 0.00 52.55 54.96 1xsb s ASP 55 Cb -0.11 -2.27 -0.02 0.00 -0.30 0.00 0.00 42.92 40.22 1xsb s ASP 55 CO 0.21 -2.19 0.25 0.44 -0.17 0.00 0.00 175.17 173.70 1xsb h ASP 56 N -1.24 -0.12 -0.65 -0.34 3.32 -1.97 -2.96 116.42 112.46 1xsb h ASP 56 Ca -0.47 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.54 1xsb h ASP 56 Cb 1.26 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.81 1xsb h ASP 56 CO 0.55 0.14 0.23 0.25 -1.72 0.00 0.00 179.24 178.69 1xsb h LEU 57 N -0.60 0.92 -0.97 1.55 5.85 -1.97 -2.38 115.31 117.71 1xsb h LEU 57 Ca -0.01 -0.19 0.18 0.00 0.84 0.00 0.00 57.88 58.69 1xsb h LEU 57 Cb 0.11 -0.24 -0.10 0.00 0.37 0.00 0.00 40.66 40.79 1xsb h LEU 57 CO 0.02 0.87 0.57 -0.08 -0.34 0.00 0.00 178.44 179.48 1xsb h GLU 58 N 0.92 0.72 -0.61 1.25 4.81 -1.97 0.57 114.58 120.27 1xsb h GLU 58 Ca 0.21 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1xsb h GLU 58 Cb 0.26 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 1xsb h GLU 58 CO -0.01 0.47 0.38 1.15 -0.73 0.00 0.00 179.01 180.27 1xsb h THR 59 N 0.74 1.08 -0.53 0.32 2.02 -1.25 1.38 112.91 116.67 1xsb h THR 59 Ca 0.55 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 67.41 1xsb h THR 59 Cb 0.83 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1xsb h THR 59 CO -0.38 0.14 0.08 0.00 0.37 0.00 0.00 175.52 175.73 1xsb h ALA 60 N 1.26 0.70 0.14 6.16 0.00 -0.15 0.32 119.26 127.70 1xsb h ALA 60 Ca 0.24 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xsb h ALA 60 Cb 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1xsb h ALA 60 CO -0.10 0.44 -0.07 -0.07 0.00 0.00 0.00 179.25 179.46 1xsb h LEU 61 N 0.76 -0.16 -0.64 0.00 3.38 0.12 0.66 115.31 119.42 1xsb h LEU 61 Ca 0.16 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1xsb h LEU 61 Cb 0.42 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1xsb h LEU 61 CO 0.01 -0.03 0.42 -0.09 0.09 0.00 0.00 178.44 178.85 1xsb h ARG 62 N -0.29 0.85 -0.15 1.13 2.43 0.20 -2.00 114.38 116.55 1xsb h ARG 62 Ca -0.02 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 58.97 1xsb h ARG 62 Cb 0.23 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1xsb h ARG 62 CO 0.03 0.57 -0.44 0.00 -1.51 0.00 0.00 179.97 178.62 1xsb h ALA 63 N 1.23 0.98 -0.30 2.80 0.00 -0.11 -0.89 119.26 122.97 1xsb h ALA 63 Ca 0.24 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1xsb h ALA 63 Cb -0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1xsb h ALA 63 CO -0.05 0.63 0.18 1.15 0.00 0.00 0.00 179.25 181.16 1xsb h THR 64 N 0.29 1.03 0.16 0.00 2.02 0.11 0.41 112.91 116.93 1xsb h THR 64 Ca 0.02 -0.12 -0.31 0.00 0.77 0.00 0.00 66.41 66.77 1xsb h THR 64 Cb 0.89 0.64 0.03 0.00 -1.74 0.00 0.00 68.15 67.97 1xsb h THR 64 CO 0.07 0.07 -1.30 -0.61 0.37 0.00 0.00 175.52 174.12 1xsb h GLN 65 N 0.36 0.55 -0.60 6.66 5.75 -0.24 0.84 115.11 128.43 1xsb h GLN 65 Ca 0.12 -0.80 -0.08 0.00 -0.15 0.00 0.00 58.65 57.73 1xsb h GLN 65 Cb -0.00 0.28 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 1xsb h GLN 65 CO -0.05 1.37 0.05 0.93 -2.65 0.00 0.00 178.83 178.47 1xsb h GLU 66 N 0.21 1.00 -0.40 1.69 4.39 -1.02 3.26 114.58 123.71 1xsb h GLU 66 Ca -0.20 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1xsb h GLU 66 Cb 1.98 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.52 1xsb h GLU 66 CO 0.24 0.96 0.00 0.39 -1.16 0.00 0.00 179.01 179.44 1xsb n GLU 67 N -4.20 2.51 0.00 2.33 1.02 0.14 -4.08 120.64 118.37 1xsb n GLU 67 Ca 0.03 -2.31 0.00 0.00 -0.02 0.00 0.00 57.16 54.87 1xsb n GLU 67 Cb 0.31 -1.51 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 1.49 0.13 -0.49 0.62 0.00 0.26 -4.19 120.51 118.33 1xsb n ALA 68 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1xsb n ALA 68 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 0.00 0.99 3.51 0.00 0.00 1.08 0.49 105.19 111.27 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 -3.09 4.42 0.42 -0.61 1.01 -1.19 -4.78 121.20 117.38 1xsb s ILE 70 Ca 0.00 -0.15 0.07 0.00 0.00 0.00 0.00 60.65 60.57 1xsb s ILE 70 Cb 0.00 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 1xsb s ILE 70 CO 0.00 0.40 0.23 -1.83 0.00 0.00 0.00 174.94 173.74 1xsb s GLU 71 N 1.04 2.30 0.43 2.79 -1.05 -1.26 -0.38 118.70 122.57 1xsb s GLU 71 Ca 0.04 -1.77 0.19 0.00 -0.15 0.00 0.00 54.97 53.27 1xsb s GLU 71 Cb -0.14 -2.08 1.12 0.00 -0.44 0.00 0.00 34.13 32.60 1xsb s GLU 71 CO 0.03 -0.14 1.85 0.00 0.95 0.00 0.00 175.26 177.95 1xsb h ALA 72 N 1.32 2.27 0.00 -0.84 0.00 -1.86 2.15 119.26 122.30 1xsb h ALA 72 Ca -0.42 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1xsb h ALA 72 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1xsb h ALA 72 CO 0.67 -0.56 0.00 0.78 0.00 0.00 0.00 179.25 180.14 1xsb h GLY 73 N 0.37 0.00 0.00 0.00 0.00 -1.99 -2.16 103.07 99.29 1xsb h GLY 73 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1xsb h GLY 73 CO -0.17 0.00 -0.76 -0.18 0.00 0.00 0.00 176.54 175.43 1xsb n GLN 74 N -2.66 2.22 -2.78 4.80 -0.06 0.71 -5.01 117.38 114.59 1xsb n GLN 74 Ca -0.00 -0.01 -0.09 0.00 -2.00 0.00 0.00 57.00 54.90 1xsb n GLN 74 Cb 0.16 -1.17 -0.02 0.00 -4.06 0.00 0.00 30.24 25.15 1xsb n GLN 74 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 1xsb n LEU 75 N -1.40 0.00 -3.78 1.69 -0.00 -0.01 -0.89 117.00 112.61 1xsb n LEU 75 Ca 0.02 -0.99 -0.29 0.00 -0.00 0.00 0.00 56.01 54.74 1xsb n LEU 75 Cb 0.23 0.27 -0.16 0.00 -0.00 0.00 0.00 43.42 43.77 1xsb n LEU 75 CO 0.28 -0.15 -0.36 -0.89 -0.00 0.00 0.00 177.39 176.27 1xsb s THR 76 N -1.91 0.94 -0.03 1.47 2.01 0.51 -4.78 115.64 113.85 1xsb s THR 76 Ca 0.05 -1.12 -0.30 0.00 0.31 0.00 0.00 61.69 60.62 1xsb s THR 76 Cb 0.00 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 1xsb s THR 76 CO 0.03 -0.41 1.33 -0.63 -0.69 0.00 0.00 174.62 174.26 1xsb s ILE 77 N 1.63 3.93 0.17 1.82 -1.09 -1.26 -2.03 121.20 124.37 1xsb s ILE 77 Ca 0.03 1.28 -0.27 0.00 -2.23 0.00 0.00 60.65 59.46 1xsb s ILE 77 Cb -0.18 -3.82 -0.08 0.00 -1.58 0.00 0.00 42.46 36.80 1xsb s ILE 77 CO -0.15 -0.02 0.85 -0.63 -1.23 0.00 0.00 174.94 173.76 1xsb s ILE 78 N 2.49 4.32 0.09 2.92 1.09 0.17 -4.97 121.20 127.32 1xsb s ILE 78 Ca 0.61 1.87 0.01 0.00 -1.10 0.00 0.00 60.65 62.03 1xsb s ILE 78 Cb -0.28 -4.22 -0.04 0.00 -1.06 0.00 0.00 42.46 36.86 1xsb s ILE 78 CO 0.24 0.48 0.23 -1.61 -0.10 0.00 0.00 174.94 174.17 1xsb s GLU 79 N -0.91 3.40 0.00 2.79 2.02 -1.26 -4.38 118.70 120.36 1xsb s GLU 79 Ca 0.39 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.86 1xsb s GLU 79 Cb -0.24 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.00 1xsb s GLU 79 CO 0.28 0.58 0.00 0.41 0.02 0.00 0.00 175.26 176.55 1xsb n GLY 80 N 0.01 2.89 3.41 -1.39 0.00 -1.26 -5.05 105.19 103.80 1xsb n GLY 80 Ca -0.06 0.00 -0.34 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 -2.68 2.95 -0.24 1.61 2.19 -1.26 -5.08 117.98 115.46 1xsb s PHE 81 Ca 0.00 -0.58 -0.13 0.00 0.33 0.00 0.00 56.93 56.55 1xsb s PHE 81 Cb 0.00 -1.98 0.07 0.00 -1.31 0.00 0.00 43.02 39.80 1xsb s PHE 81 CO 0.00 -0.24 0.59 0.21 1.83 0.00 0.00 175.22 177.61 1xsb s LYS 82 N 0.73 0.59 -0.22 10.12 2.20 -1.26 -4.65 119.74 127.26 1xsb s LYS 82 Ca -0.03 1.08 -0.27 0.00 -0.36 0.00 0.00 55.97 56.40 1xsb s LYS 82 Cb -0.15 0.11 0.08 0.00 -1.51 0.00 0.00 37.83 36.36 1xsb s LYS 82 CO 0.02 -0.16 0.75 0.50 -0.36 0.00 0.00 175.35 176.11 1xsb s ARG 83 N 1.61 0.85 -0.02 4.03 3.52 -1.25 -5.03 118.95 122.65 1xsb s ARG 83 Ca -0.10 0.76 0.07 0.00 -0.13 0.00 0.00 55.73 56.34 1xsb s ARG 83 Cb -0.06 0.41 -0.02 0.00 -1.56 0.00 0.00 34.95 33.71 1xsb s ARG 83 CO -0.17 -0.15 -0.23 -1.83 -0.81 0.00 0.00 175.30 172.10 1xsb s GLU 84 N -0.04 2.17 -0.32 5.12 1.03 -1.24 -1.52 118.70 123.91 1xsb s GLU 84 Ca -0.02 -0.89 -0.18 0.00 0.03 0.00 0.00 54.97 53.90 1xsb s GLU 84 Cb -0.04 -2.11 -0.01 0.00 -0.80 0.00 0.00 34.13 31.17 1xsb s GLU 84 CO 0.02 0.57 0.53 -0.51 -1.33 0.00 0.00 175.26 174.55 1xsb s LEU 85 N -0.69 4.22 -0.15 1.83 1.43 0.25 -4.72 118.68 120.84 1xsb s LEU 85 Ca 0.11 0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 53.40 1xsb s LEU 85 Cb -0.10 -2.65 -0.02 0.00 0.03 0.00 0.00 46.19 43.46 1xsb s LEU 85 CO -0.00 -0.43 -0.10 0.20 0.23 0.00 0.00 176.35 176.25 1xsb s ASN 86 N 1.69 4.20 -0.10 2.29 0.02 -1.25 -1.21 114.94 120.58 1xsb s ASN 86 Ca 0.21 -0.31 -0.30 0.00 -1.02 0.00 0.00 52.86 51.44 1xsb s ASN 86 Cb -0.15 -1.67 0.10 0.00 0.02 0.00 0.00 41.25 39.56 1xsb s ASN 86 CO 0.12 0.13 0.87 -0.72 0.02 0.00 0.00 177.10 177.52 1xsb s TYR 87 N 0.59 -0.46 -0.42 2.20 -0.85 -1.14 -4.92 117.35 112.35 1xsb s TYR 87 Ca -0.06 0.73 -0.07 0.00 -0.52 0.00 0.00 57.07 57.14 1xsb s TYR 87 Cb -0.15 0.45 0.09 0.00 0.38 0.00 0.00 41.96 42.73 1xsb s TYR 87 CO 0.03 -0.46 0.25 0.54 -1.52 0.00 0.00 175.55 174.38 1xsb s VAL 88 N -1.45 3.95 0.00 -3.49 0.11 -1.26 -0.53 120.40 117.73 1xsb s VAL 88 Ca -0.04 -1.60 0.00 0.00 -2.93 0.00 0.00 61.98 57.42 1xsb s VAL 88 Cb -0.00 -3.49 0.00 0.00 -1.53 0.00 0.00 36.38 31.35 1xsb s VAL 88 CO 0.02 -0.56 0.00 0.00 -3.33 0.00 0.00 175.10 171.23 1xsb n ALA 89 N 4.83 0.00 0.25 1.54 0.00 -1.24 -4.56 120.51 121.32 1xsb n ALA 89 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.20 1xsb n ALA 89 Cb 0.42 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.66 0.00 0.00 2.43 -2.05 -3.43 114.38 110.67 1xsb h ARG 90 Ca 0.00 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1xsb h ARG 90 Cb 0.00 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1xsb h ARG 90 CO 0.00 -0.44 -0.01 0.27 -1.51 0.00 0.00 179.97 178.28 1xsb n ASN 91 N -5.42 -0.03 -3.71 -3.80 6.94 -1.26 -5.13 115.26 102.85 1xsb n ASN 91 Ca -0.11 -0.17 -0.17 0.00 -0.02 0.00 0.00 54.58 54.11 1xsb n ASN 91 Cb 0.32 0.01 -0.17 0.00 -2.36 0.00 0.00 39.78 37.58 1xsb n ASN 91 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1xsb s LYS 92 N 0.00 -0.03 -0.07 -3.83 2.47 -1.26 -5.07 119.74 111.95 1xsb s LYS 92 Ca 0.00 0.34 -0.30 0.00 -1.56 0.00 0.00 55.97 54.45 1xsb s LYS 92 Cb 0.00 -0.35 -0.04 0.00 -1.46 0.00 0.00 37.83 35.98 1xsb s LYS 92 CO 0.00 -0.25 1.41 -1.25 0.16 0.00 0.00 175.35 175.42 1xsb s PRO 93 N 1.69 4.24 -0.23 4.03 0.04 -1.26 -3.73 135.00 139.78 1xsb s PRO 93 Ca -0.02 1.91 -0.06 0.00 0.04 0.00 0.00 61.00 62.87 1xsb s PRO 93 Cb -0.12 -3.75 -0.03 0.00 0.04 0.00 0.00 34.50 30.64 1xsb s PRO 93 CO -0.04 -0.68 0.04 0.15 0.04 0.00 0.00 177.00 176.51 1xsb s LYS 94 N 3.19 3.63 -0.23 4.56 1.02 0.31 -0.25 119.74 131.98 1xsb s LYS 94 Ca 0.63 -0.50 -0.17 0.00 0.02 0.00 0.00 55.97 55.95 1xsb s LYS 94 Cb -0.28 -3.23 -0.03 0.00 -0.52 0.00 0.00 37.83 33.77 1xsb s LYS 94 CO 0.23 -0.12 0.47 0.99 -0.92 0.00 0.00 175.35 176.00 1xsb s THR 95 N 1.39 5.12 -0.18 2.17 2.01 -0.20 -2.88 115.64 123.08 1xsb s THR 95 Ca 0.05 0.82 0.01 0.00 0.31 0.00 0.00 61.69 62.87 1xsb s THR 95 Cb -0.15 -3.79 0.02 0.00 0.01 0.00 0.00 72.50 68.59 1xsb s THR 95 CO 0.02 0.16 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.24 1xsb s VAL 96 N 1.85 2.22 -0.21 3.82 1.01 -0.35 0.06 120.40 128.80 1xsb s VAL 96 Ca 0.21 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 61.17 1xsb s VAL 96 Cb -0.15 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 1xsb s VAL 96 CO 0.09 0.53 0.27 -0.63 0.00 0.00 0.00 175.10 175.36 1xsb s ILE 97 N 1.26 5.29 -0.09 2.22 -1.09 -0.91 0.84 121.20 128.74 1xsb s ILE 97 Ca 0.04 0.43 0.03 0.00 -2.23 0.00 0.00 60.65 58.92 1xsb s ILE 97 Cb -0.13 -3.60 -0.02 0.00 -1.58 0.00 0.00 42.46 37.13 1xsb s ILE 97 CO -0.11 0.32 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.45 1xsb s TYR 98 N 1.04 2.69 -0.01 3.97 2.02 -0.57 -2.32 117.35 124.16 1xsb s TYR 98 Ca 0.13 -0.52 0.05 0.00 -0.37 0.00 0.00 57.07 56.36 1xsb s TYR 98 Cb -0.14 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.68 1xsb s TYR 98 CO 0.05 -0.09 -0.16 -1.58 -1.57 0.00 0.00 175.55 172.20 1xsb s TRP 99 N -0.10 2.65 0.19 2.71 0.51 -1.25 -3.93 118.94 119.72 1xsb s TRP 99 Ca -0.03 -0.20 -0.30 0.00 -2.12 0.00 0.00 56.10 53.46 1xsb s TRP 99 Cb -0.14 -1.56 -0.08 0.00 -0.81 0.00 0.00 33.47 30.88 1xsb s TRP 99 CO 0.04 0.21 1.04 -0.51 -0.51 0.00 0.00 176.95 177.22 1xsb s LEU 100 N -1.03 4.53 0.05 2.99 1.43 -1.26 -1.68 118.68 123.72 1xsb s LEU 100 Ca 0.13 2.04 0.01 0.00 -1.03 0.00 0.00 54.13 55.27 1xsb s LEU 100 Cb -0.11 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 1xsb s LEU 100 CO 0.03 -0.11 -0.05 0.00 0.23 0.00 0.00 176.35 176.45 1xsb s ALA 101 N -0.52 0.52 -0.11 4.21 0.00 0.14 0.46 121.76 126.45 1xsb s ALA 101 Ca 0.46 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.50 1xsb s ALA 101 Cb -0.28 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.00 1xsb s ALA 101 CO 0.34 -0.18 -0.12 -2.00 0.00 0.00 0.00 175.76 173.81 1xsb s GLU 102 N -2.50 1.93 0.08 0.00 2.12 -0.86 0.35 118.70 119.83 1xsb s GLU 102 Ca -0.04 -0.44 -0.30 0.00 0.36 0.00 0.00 54.97 54.56 1xsb s GLU 102 Cb -0.03 -1.78 -0.05 0.00 0.26 0.00 0.00 34.13 32.53 1xsb s GLU 102 CO -0.03 -0.17 1.06 0.14 -0.54 0.00 0.00 175.26 175.73 1xsb s VAL 103 N 1.32 4.33 0.22 3.70 -7.23 -1.26 -0.36 120.40 121.12 1xsb s VAL 103 Ca -0.01 1.79 -0.09 0.00 -1.81 0.00 0.00 61.98 61.86 1xsb s VAL 103 Cb -0.14 -4.15 0.18 0.00 0.56 0.00 0.00 36.38 32.84 1xsb s VAL 103 CO -0.05 0.21 1.88 0.11 -0.31 0.00 0.00 175.10 176.93 1xsb h LYS 104 N 6.16 1.09 -5.65 4.82 1.57 -1.35 -3.43 116.57 119.79 1xsb h LYS 104 Ca -0.42 -0.08 -0.67 0.00 -1.87 0.00 0.00 60.65 57.61 1xsb h LYS 104 Cb 1.21 -0.24 -0.08 0.00 0.08 0.00 0.00 32.23 33.20 1xsb h LYS 104 CO 0.75 0.74 -0.50 0.34 -0.57 0.00 0.00 179.45 180.22 1xsb s ASP 105 N -5.98 6.25 0.17 0.86 -1.08 -1.26 -4.98 116.67 110.63 1xsb s ASP 105 Ca -0.13 0.42 -0.11 0.00 -0.52 0.00 0.00 52.55 52.21 1xsb s ASP 105 Cb 0.16 -2.01 0.04 0.00 -1.46 0.00 0.00 42.92 39.65 1xsb s ASP 105 CO 0.79 0.39 1.62 0.22 0.52 0.00 0.00 175.17 178.71 1xsb h TYR 106 N 5.12 1.08 -0.48 -5.34 3.20 -2.01 -2.05 116.97 116.49 1xsb h TYR 106 Ca -0.53 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.14 1xsb h TYR 106 Cb 1.22 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.21 1xsb h TYR 106 CO 0.73 0.98 0.00 -0.25 -1.64 0.00 0.00 178.16 177.99 1xsb n ASP 107 N -4.24 4.64 -4.20 -2.11 8.00 -1.26 -4.99 116.55 112.40 1xsb n ASP 107 Ca 0.02 -2.67 -0.40 0.00 0.71 0.00 0.00 54.79 52.45 1xsb n ASP 107 Cb 0.34 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 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 0.59 0.47 -1.88 2.53 3.14 -0.77 -4.78 118.33 117.62 1xsb n VAL 108 Ca 0.22 -0.49 -0.39 0.00 -2.96 0.00 0.00 64.34 60.72 1xsb n VAL 108 Cb 0.96 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.76 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 -0.98 3.44 -0.31 1.45 -1.05 -1.26 -5.00 118.70 114.99 1xsb s GLU 109 Ca 0.57 2.20 0.02 0.00 -0.15 0.00 0.00 54.97 57.61 1xsb s GLU 109 Cb -0.59 -2.42 0.09 0.00 -0.44 0.00 0.00 34.13 30.77 1xsb s GLU 109 CO 0.62 -0.94 0.04 0.42 0.95 0.00 0.00 175.26 176.35 1xsb s ILE 110 N -1.31 1.69 -0.30 1.83 -1.09 -1.24 -4.33 121.20 116.44 1xsb s ILE 110 Ca 0.66 -1.81 -0.11 0.00 -2.23 0.00 0.00 60.65 57.16 1xsb s ILE 110 Cb -0.39 -2.18 -0.03 0.00 -1.58 0.00 0.00 42.46 38.28 1xsb s ILE 110 CO 0.48 -0.51 0.18 -0.13 -1.23 0.00 0.00 174.94 173.73 1xsb s ARG 111 N 1.23 3.61 -0.12 2.79 3.00 1.79 -4.86 118.95 126.39 1xsb s ARG 111 Ca 0.07 -0.55 -0.07 0.00 0.00 0.00 0.00 55.73 55.18 1xsb s ARG 111 Cb -0.18 -3.64 -0.04 0.00 0.00 0.00 0.00 34.95 31.08 1xsb s ARG 111 CO -0.13 -0.33 0.12 -0.51 0.00 0.00 0.00 175.30 174.45 1xsb s LEU 112 N 1.69 4.29 0.81 2.53 1.43 -1.26 0.93 118.68 129.10 1xsb s LEU 112 Ca 0.06 0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 53.47 1xsb s LEU 112 Cb -0.17 -2.04 0.12 0.00 0.03 0.00 0.00 46.19 44.13 1xsb s LEU 112 CO 0.09 0.39 1.15 -0.55 0.23 0.00 0.00 176.35 177.65 1xsb s SER 113 N -0.91 4.16 0.39 2.29 0.15 -1.25 -4.83 113.70 113.70 1xsb s SER 113 Ca 0.14 0.38 0.15 0.00 0.70 0.00 0.00 55.95 57.32 1xsb s SER 113 Cb -0.12 -0.77 1.00 0.00 -1.71 0.00 0.00 66.02 64.42 1xsb s SER 113 CO 0.03 -2.05 1.82 -0.74 1.20 0.00 0.00 173.24 173.50 1xsb h HIS 114 N -1.02 0.70 -0.26 3.44 2.76 -1.99 0.47 115.15 119.25 1xsb h HIS 114 Ca -0.44 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 57.73 1xsb h HIS 114 Cb 1.29 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 30.02 1xsb h HIS 114 CO -0.19 0.15 0.03 0.93 -1.30 0.00 0.00 177.93 177.55 1xsb h GLU 115 N 0.50 0.38 -6.17 5.26 5.08 -1.95 -3.40 114.58 114.27 1xsb h GLU 115 Ca 0.52 -0.06 -0.69 0.00 -1.00 0.00 0.00 59.36 58.14 1xsb h GLU 115 Cb 1.18 -0.07 -0.19 0.00 0.50 0.00 0.00 28.75 30.17 1xsb h GLU 115 CO -0.25 0.38 -0.70 -1.01 -1.00 0.00 0.00 179.01 176.43 1xsb s HIS 116 N -5.05 2.91 0.00 4.33 3.76 0.16 0.11 115.29 121.52 1xsb s HIS 116 Ca -0.07 0.00 0.00 0.00 -0.15 0.00 0.00 55.06 54.85 1xsb s HIS 116 Cb 0.16 -1.70 0.00 0.00 1.11 0.00 0.00 32.58 32.15 1xsb s HIS 116 CO 0.73 0.32 0.00 0.00 -0.85 0.00 0.00 174.74 174.95 1xsb n GLN 117 N 2.20 1.39 -3.77 1.40 10.64 -0.38 -3.84 117.38 125.02 1xsb n GLN 117 Ca -0.18 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 54.88 1xsb n GLN 117 Cb 0.53 -0.94 -0.08 0.00 -0.86 0.00 0.00 30.24 28.89 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 -1.79 -0.65 0.06 2.61 0.00 -1.24 -4.97 121.76 115.77 1xsb s ALA 118 Ca 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 51.96 51.99 1xsb s ALA 118 Cb 0.00 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 1xsb s ALA 118 CO 0.00 -0.37 -0.04 1.52 0.00 0.00 0.00 175.76 176.87 1xsb s TYR 119 N -2.27 0.57 0.01 0.00 1.13 -1.26 0.35 117.35 115.89 1xsb s TYR 119 Ca -0.07 -0.96 -0.02 0.00 -1.41 0.00 0.00 57.07 54.61 1xsb s TYR 119 Cb -0.02 -0.39 -0.01 0.00 -1.10 0.00 0.00 41.96 40.43 1xsb s TYR 119 CO -0.02 -0.30 0.02 1.03 -2.51 0.00 0.00 175.55 173.77 1xsb s ARG 120 N -3.56 0.34 -0.39 -3.49 0.52 -0.79 -4.97 118.95 106.61 1xsb s ARG 120 Ca 0.05 -0.52 -0.10 0.00 -0.52 0.00 0.00 55.73 54.64 1xsb s ARG 120 Cb 0.05 0.13 0.05 0.00 0.52 0.00 0.00 34.95 35.70 1xsb s ARG 120 CO -0.08 -0.06 0.22 -1.58 0.02 0.00 0.00 175.30 173.82 1xsb s TRP 121 N -1.35 3.28 0.36 -0.53 0.52 -1.26 -3.09 118.94 116.87 1xsb s TRP 121 Ca -0.15 -1.26 0.03 0.00 0.02 0.00 0.00 56.10 54.75 1xsb s TRP 121 Cb -0.09 -2.67 -0.04 0.00 -1.15 0.00 0.00 33.47 29.52 1xsb s TRP 121 CO -0.00 -0.75 0.09 -0.51 0.02 0.00 0.00 176.95 175.80 1xsb s LEU 122 N 1.48 2.05 0.00 2.99 1.02 -1.25 -4.95 118.68 120.03 1xsb s LEU 122 Ca 0.02 -1.51 -0.09 0.00 0.02 0.00 0.00 54.13 52.56 1xsb s LEU 122 Cb -0.21 -0.23 0.16 0.00 0.02 0.00 0.00 46.19 45.93 1xsb s LEU 122 CO 0.04 -0.77 0.97 0.61 0.02 0.00 0.00 176.35 177.23 1xsb n GLY 123 N -0.78 -0.85 0.36 -3.19 0.00 -1.26 -1.80 105.19 97.67 1xsb n GLY 123 Ca -0.04 -1.79 -0.01 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 1.04 0.25 0.99 5.85 -1.96 0.50 115.31 121.98 1xsb h LEU 124 Ca -0.32 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1xsb h LEU 124 Cb 0.94 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 1xsb h LEU 124 CO 0.25 0.73 -0.25 1.05 -0.34 0.00 0.00 178.44 179.88 1xsb h GLU 125 N 1.22 -0.51 -0.17 1.25 4.11 -1.94 0.53 114.58 119.07 1xsb h GLU 125 Ca 0.36 0.04 -0.12 0.00 0.07 0.00 0.00 59.36 59.71 1xsb h GLU 125 Cb -0.05 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1xsb h GLU 125 CO -0.10 -0.34 -0.36 0.93 0.07 0.00 0.00 179.01 179.20 1xsb h GLU 126 N -0.53 0.54 -0.52 1.06 3.07 -1.87 0.28 114.58 116.61 1xsb h GLU 126 Ca -0.00 -0.36 0.13 0.00 -0.50 0.00 0.00 59.36 58.63 1xsb h GLU 126 Cb 0.50 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.43 1xsb h GLU 126 CO -0.06 0.97 0.37 0.00 -1.40 0.00 0.00 179.01 178.89 1xsb h ALA 127 N 0.57 2.35 0.20 3.43 0.00 0.17 0.35 119.26 126.32 1xsb h ALA 127 Ca 0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.58 1xsb h ALA 127 Cb 0.97 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.79 1xsb h ALA 127 CO 0.08 -0.49 -1.42 0.00 0.00 0.00 0.00 179.25 177.42 1xsb h GLN 129 N 0.12 0.36 -0.22 0.00 -0.00 0.27 -3.09 115.11 112.55 1xsb h GLN 129 Ca -0.22 -0.09 -0.05 0.00 -0.00 0.00 0.00 58.65 58.29 1xsb h GLN 129 Cb 2.09 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 29.52 1xsb h GLN 129 CO 0.24 0.47 -0.07 -0.07 -0.00 0.00 0.00 178.83 179.41 1xsb h LEU 130 N 0.19 0.43 -4.75 0.06 3.38 -0.58 -3.11 115.31 110.93 1xsb h LEU 130 Ca 0.07 -0.38 -0.34 0.00 0.09 0.00 0.00 57.88 57.32 1xsb h LEU 130 Cb 0.27 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1xsb h LEU 130 CO 0.00 0.71 1.60 0.00 0.09 0.00 0.00 178.44 180.84 1xsb n ALA 131 N -2.38 5.65 -0.50 1.53 0.00 -0.82 -3.94 120.51 120.05 1xsb n ALA 131 Ca -0.04 -2.10 0.40 0.00 0.00 0.00 0.00 53.44 51.69 1xsb n ALA 131 Cb 0.30 -2.76 0.64 0.00 0.00 0.00 0.00 19.45 17.63 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 3.29 -0.02 -1.68 0.00 0.00 -1.18 -3.81 117.38 113.99 1xsb n GLN 132 Ca 0.48 1.01 -0.45 0.00 0.00 0.00 0.00 57.00 58.04 1xsb n GLN 132 Cb 0.43 -2.14 -0.04 0.00 0.00 0.00 0.00 30.24 28.49 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 -4.07 2.42 -0.10 2.61 3.72 -1.26 -4.81 117.46 115.97 1xsb n PHE 133 Ca 0.37 -0.10 0.08 0.00 -0.05 0.00 0.00 57.45 57.74 1xsb n PHE 133 Cb 1.53 -2.70 0.42 0.00 -0.94 0.00 0.00 39.48 37.80 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 9.10 0.56 -0.63 -1.08 3.64 -1.96 -0.63 116.57 125.58 1xsb h LYS 134 Ca -0.48 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 58.93 1xsb h LYS 134 Cb 1.25 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.89 1xsb h LYS 134 CO 0.94 0.37 0.32 0.93 -2.27 0.00 0.00 179.45 179.74 1xsb h GLU 135 N 0.58 0.57 0.05 1.90 5.08 -1.89 0.60 114.58 121.47 1xsb h GLU 135 Ca 0.26 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.43 1xsb h GLU 135 Cb 0.28 -0.13 0.02 0.00 0.50 0.00 0.00 28.75 29.42 1xsb h GLU 135 CO -0.08 0.38 -0.64 0.52 -1.00 0.00 0.00 179.01 178.19 1xsb h MET 136 N 0.59 0.34 -0.68 2.33 2.86 -1.58 0.49 114.93 119.29 1xsb h MET 136 Ca 0.29 -0.44 0.11 0.00 -2.06 0.00 0.00 59.70 57.60 1xsb h MET 136 Cb 0.23 0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.99 1xsb h MET 136 CO -0.21 1.14 0.45 0.87 1.06 0.00 0.00 176.91 180.22 1xsb h LYS 137 N -0.25 0.48 -0.02 1.72 1.57 -0.82 1.45 116.57 120.70 1xsb h LYS 137 Ca -0.09 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.54 1xsb h LYS 137 Cb 1.41 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 33.62 1xsb h LYS 137 CO 0.12 0.32 -0.46 0.00 -0.57 0.00 0.00 179.45 178.86 1xsb h ALA 138 N 1.66 0.08 -0.17 3.86 0.00 0.32 0.60 119.26 125.61 1xsb h ALA 138 Ca 0.32 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1xsb h ALA 138 Cb 0.57 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1xsb h ALA 138 CO -0.10 0.26 0.08 0.00 0.00 0.00 0.00 179.25 179.49 1xsb h ALA 139 N 0.33 0.20 -0.11 0.00 0.00 0.22 1.67 119.26 121.57 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 1.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1xsb h ALA 139 CO 0.09 -0.35 -0.10 -0.07 0.00 0.00 0.00 179.25 178.82 1xsb h LEU 140 N 0.18 0.15 0.06 0.00 3.38 0.18 -0.33 115.31 118.94 1xsb h LEU 140 Ca 0.07 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1xsb h LEU 140 Cb 0.02 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1xsb h LEU 140 CO -0.05 0.28 -0.03 1.56 0.09 0.00 0.00 178.44 180.29 1xsb h GLN 141 N 0.16 -0.08 -0.51 1.13 1.08 0.15 -2.85 115.11 114.20 1xsb h GLN 141 Ca 0.04 0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.19 1xsb h GLN 141 Cb 0.28 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 1xsb h GLN 141 CO 0.02 0.49 0.11 0.93 -0.95 0.00 0.00 178.83 179.42 1xsb h GLU 142 N -0.76 0.78 0.19 1.46 5.08 0.25 0.10 114.58 121.68 1xsb h GLU 142 Ca -0.01 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1xsb h GLU 142 Cb 0.61 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1xsb h GLU 142 CO 0.01 0.72 -0.13 0.78 -1.00 0.00 0.00 179.01 179.39 1xsb h GLY 143 N 0.94 -0.31 1.00 -3.84 0.00 -1.12 0.26 103.07 100.00 1xsb h GLY 143 Ca 0.17 0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 1xsb h GLY 143 CO 0.00 -0.13 0.37 0.84 0.00 0.00 0.00 176.54 177.61 1xsb h HIS 144 N -0.31 0.89 -0.62 5.60 -0.00 -1.25 0.59 115.15 120.05 1xsb h HIS 144 Ca -0.01 -0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.38 1xsb h HIS 144 Cb 0.27 -0.29 -0.04 0.00 -0.00 0.00 0.00 27.41 27.35 1xsb h HIS 144 CO -0.10 0.63 0.37 0.37 -0.00 0.00 0.00 177.93 179.20 1xsb h GLN 145 N 0.89 0.70 -0.04 5.26 5.75 -0.43 -1.64 115.11 125.59 1xsb h GLN 145 Ca 0.23 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.64 1xsb h GLN 145 Cb 0.03 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.42 1xsb h GLN 145 CO -0.04 0.46 -0.18 0.35 -2.65 0.00 0.00 178.83 176.78 1xsb h PHE 146 N 0.72 0.25 -0.82 3.99 3.04 -0.07 -3.13 116.94 120.92 1xsb h PHE 146 Ca 0.26 -0.11 0.12 0.00 3.98 0.00 0.00 57.97 62.22 1xsb h PHE 146 Cb 0.06 -0.04 -0.06 0.00 2.56 0.00 0.00 35.95 38.48 1xsb h PHE 146 CO -0.06 0.81 0.53 -0.07 -2.02 0.00 0.00 178.31 177.50 1xsb h LEU 147 N -0.38 0.60 -0.70 0.59 3.38 -0.76 0.77 115.31 118.80 1xsb h LEU 147 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xsb h LEU 147 Cb 0.83 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1xsb h LEU 147 CO 0.04 0.33 0.00 0.00 0.09 0.00 0.00 178.44 178.90 1xsb n SER 149 N -2.26 0.41 0.00 0.00 7.64 0.27 -4.82 113.62 114.86 1xsb n SER 149 Ca 0.02 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1xsb n SER 149 Cb 0.23 0.06 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 -1.56 0.00 0.00 0.44 5.41 -0.87 -5.10 119.36 117.69 1xsb n ILE 150 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.81 1xsb n ILE 150 Cb 0.35 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.28 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 -5.05 120.64 116.84 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 -3.00 0.00 -0.69 4.31 0.00 -1.26 -5.02 120.51 114.85 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