#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 0.10 -0.52 1.61 0.13 -2.09 -3.04 132.00 128.18 1xsb h PRO 2 Ca 0.00 -0.07 0.02 0.00 -0.87 0.00 0.00 66.00 65.08 1xsb h PRO 2 Cb 0.00 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.11 1xsb h PRO 2 CO 0.00 0.69 0.34 1.25 -0.23 0.00 0.00 178.00 180.05 1xsb h LEU 3 N 0.07 0.56 0.00 1.56 5.85 -2.08 -3.48 115.31 117.79 1xsb h LEU 3 Ca -0.01 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1xsb h LEU 3 Cb 1.12 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1xsb h LEU 3 CO 0.09 0.40 0.00 0.61 -0.34 0.00 0.00 178.44 179.20 1xsb n GLY 4 N -1.46 -0.38 0.00 3.75 0.00 -1.15 -4.98 105.19 100.96 1xsb n GLY 4 Ca 0.05 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.24 1xsb n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xsb n SER 5 N -0.56 0.00 -4.70 1.61 3.41 -1.26 -4.94 113.62 107.18 1xsb n SER 5 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.22 1xsb n SER 5 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1xsb n SER 5 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1xsb s MET 6 N 0.00 4.33 0.16 4.33 -2.45 -1.26 -4.95 119.30 119.46 1xsb s MET 6 Ca 0.00 0.62 -0.16 0.00 -1.25 0.00 0.00 55.69 54.89 1xsb s MET 6 Cb 0.00 -3.48 -0.10 0.00 1.25 0.00 0.00 34.83 32.49 1xsb s MET 6 CO 0.00 0.01 0.25 0.00 1.05 0.00 0.00 175.02 176.33 1xsb n ALA 7 N 4.12 -2.23 -2.85 4.11 0.00 -1.26 -4.89 120.51 117.50 1xsb n ALA 7 Ca -0.04 0.22 -0.36 0.00 0.00 0.00 0.00 53.44 53.26 1xsb n ALA 7 Cb 0.51 -0.98 -0.06 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 2.12 4.39 -0.02 0.00 1.02 -0.32 -4.92 118.68 120.95 1xsb s LEU 8 Ca 0.39 0.49 -0.15 0.00 0.02 0.00 0.00 54.13 54.88 1xsb s LEU 8 Cb -0.53 -2.27 -0.05 0.00 0.02 0.00 0.00 46.19 43.36 1xsb s LEU 8 CO 0.36 0.36 0.42 0.00 0.02 0.00 0.00 176.35 177.51 1xsb s ARG 9 N -1.28 4.00 0.08 1.70 3.03 -1.26 0.16 118.95 125.38 1xsb s ARG 9 Ca 0.19 0.42 0.01 0.00 2.03 0.00 0.00 55.73 58.37 1xsb s ARG 9 Cb -0.13 -3.26 -0.04 0.00 -1.03 0.00 0.00 34.95 30.49 1xsb s ARG 9 CO 0.09 0.60 -0.05 0.00 -1.13 0.00 0.00 175.30 174.80 1xsb s ALA 10 N -0.78 0.82 -0.10 7.88 0.00 1.39 -3.07 121.76 127.90 1xsb s ALA 10 Ca 0.24 -1.30 -0.04 0.00 0.00 0.00 0.00 51.96 50.85 1xsb s ALA 10 Cb -0.16 0.20 0.05 0.00 0.00 0.00 0.00 23.12 23.21 1xsb s ALA 10 CO 0.13 -0.28 0.20 0.00 0.00 0.00 0.00 175.76 175.81 1xsb s GLY 12 N 2.01 2.55 -0.19 0.00 0.00 -1.00 -2.23 107.32 108.45 1xsb s GLY 12 Ca -0.01 -1.63 0.01 0.00 0.00 0.00 0.00 44.72 43.09 1xsb s GLY 12 CO -0.07 -2.02 -0.17 1.08 0.00 0.00 0.00 173.10 171.92 1xsb s LEU 13 N -3.68 2.32 -0.84 0.66 1.43 -1.06 -3.80 118.68 113.70 1xsb s LEU 13 Ca 0.27 -0.78 -0.24 0.00 -1.03 0.00 0.00 54.13 52.34 1xsb s LEU 13 Cb 0.07 -1.44 0.06 0.00 0.03 0.00 0.00 46.19 44.91 1xsb s LEU 13 CO 0.13 -0.05 1.26 -0.63 0.23 0.00 0.00 176.35 177.29 1xsb s ILE 14 N 1.29 4.02 0.10 -0.59 1.01 -0.69 -4.42 121.20 121.91 1xsb s ILE 14 Ca 0.02 -0.36 -0.24 0.00 0.00 0.00 0.00 60.65 60.07 1xsb s ILE 14 Cb -0.14 -4.91 -0.07 0.00 0.01 0.00 0.00 42.46 37.35 1xsb s ILE 14 CO -0.11 -1.77 0.74 -0.63 0.00 0.00 0.00 174.94 173.16 1xsb s ILE 15 N 4.82 4.57 -0.06 2.92 1.01 -1.26 -0.49 121.20 132.70 1xsb s ILE 15 Ca 0.36 1.59 -0.01 0.00 0.00 0.00 0.00 60.65 62.59 1xsb s ILE 15 Cb -0.07 -4.09 0.03 0.00 0.01 0.00 0.00 42.46 38.34 1xsb s ILE 15 CO 0.03 0.47 0.02 0.72 0.00 0.00 0.00 174.94 176.18 1xsb s PHE 16 N -0.72 0.47 -0.28 3.97 -0.71 1.33 -1.58 117.98 120.46 1xsb s PHE 16 Ca 0.36 -0.03 -0.24 0.00 -1.04 0.00 0.00 56.93 55.97 1xsb s PHE 16 Cb -0.21 -0.68 -0.00 0.00 -1.21 0.00 0.00 43.02 40.91 1xsb s PHE 16 CO 0.24 -0.28 0.81 0.50 -1.34 0.00 0.00 175.22 175.16 1xsb s ARG 17 N 1.97 4.05 0.05 1.99 3.52 0.07 -3.87 118.95 126.73 1xsb s ARG 17 Ca 0.04 0.73 -0.21 0.00 -0.13 0.00 0.00 55.73 56.16 1xsb s ARG 17 Cb -0.12 -3.70 -0.06 0.00 -1.56 0.00 0.00 34.95 29.51 1xsb s ARG 17 CO -0.04 -0.63 0.64 0.50 -0.81 0.00 0.00 175.30 174.95 1xsb s ARG 18 N 2.95 4.34 -0.14 5.12 3.52 -1.26 -2.92 118.95 130.56 1xsb s ARG 18 Ca 0.34 0.84 -0.02 0.00 -0.13 0.00 0.00 55.73 56.75 1xsb s ARG 18 Cb -0.14 -3.30 -0.02 0.00 -1.56 0.00 0.00 34.95 29.92 1xsb s ARG 18 CO 0.11 0.47 -0.06 0.00 -0.81 0.00 0.00 175.30 175.01 1xsb h LEU 20 N 6.58 0.49 -8.39 0.00 5.85 -1.97 -3.43 115.31 114.44 1xsb h LEU 20 Ca -0.31 0.03 -0.28 0.00 0.84 0.00 0.00 57.88 58.16 1xsb h LEU 20 Cb 1.20 -0.07 -0.18 0.00 0.37 0.00 0.00 40.66 41.98 1xsb h LEU 20 CO 0.60 0.33 -0.72 0.27 -0.34 0.00 0.00 178.44 178.58 1xsb s ILE 21 N -6.11 0.79 0.62 4.05 -0.00 -1.26 -5.11 121.20 114.18 1xsb s ILE 21 Ca -0.13 -1.61 -0.19 0.00 -0.00 0.00 0.00 60.65 58.73 1xsb s ILE 21 Cb 0.15 -1.29 -0.02 0.00 -0.00 0.00 0.00 42.46 41.29 1xsb s ILE 21 CO 0.75 -0.61 1.30 -2.84 -0.00 0.00 0.00 174.94 173.54 1xsb s PRO 22 N -2.83 2.73 0.00 0.37 0.02 -1.26 -5.00 135.00 129.03 1xsb s PRO 22 Ca 0.04 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.13 1xsb s PRO 22 Cb -0.02 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.56 1xsb s PRO 22 CO -0.01 -1.46 0.00 1.63 -0.33 0.00 0.00 177.00 176.83 1xsb n LYS 23 N -1.68 0.00 -0.15 5.54 4.01 -1.26 -4.51 118.16 120.11 1xsb n LYS 23 Ca 0.14 0.01 0.02 0.00 -0.51 0.00 0.00 58.31 57.98 1xsb n LYS 23 Cb 0.48 -0.23 0.08 0.00 -0.51 0.00 0.00 35.03 34.85 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 -1.83 0.45 -3.41 -0.18 0.31 -1.26 -4.84 118.33 107.57 1xsb n VAL 24 Ca 0.00 -0.27 -0.18 0.00 -0.01 0.00 0.00 64.34 63.88 1xsb n VAL 24 Cb 0.00 -0.24 0.08 0.00 -0.91 0.00 0.00 33.84 32.77 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 0.07 -3.36 -3.67 4.52 8.00 -1.26 -5.00 116.55 115.85 1xsb n ASP 25 Ca 0.06 -0.56 -0.18 0.00 0.71 0.00 0.00 54.79 54.81 1xsb n ASP 25 Cb 0.33 -4.83 -0.17 0.00 -0.02 0.00 0.00 41.12 36.43 1xsb n ASP 25 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xsb s ASN 26 N -3.97 0.92 0.80 -2.24 4.22 -1.26 -5.09 114.94 108.32 1xsb s ASN 26 Ca 0.18 0.18 0.00 0.00 -2.14 0.00 0.00 52.86 51.08 1xsb s ASN 26 Cb -0.08 0.03 0.00 0.00 1.28 0.00 0.00 41.25 42.48 1xsb s ASN 26 CO 0.69 -0.24 0.00 0.59 -2.04 0.00 0.00 177.10 176.10 1xsb n ASN 27 N 5.24 0.00 0.00 3.54 5.03 -1.26 -4.83 115.26 122.99 1xsb n ASN 27 Ca -0.05 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.40 1xsb n ASN 27 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.26 1xsb n ASN 27 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xsb n ALA 28 N 7.67 0.00 -2.75 5.41 0.00 -1.26 -4.82 120.51 124.76 1xsb n ALA 28 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1xsb n ALA 28 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.95 4.19 0.30 0.00 1.01 -1.26 -3.60 121.20 120.88 1xsb s ILE 29 Ca 0.00 -0.28 0.11 0.00 0.00 0.00 0.00 60.65 60.48 1xsb s ILE 29 Cb 0.00 -2.79 -0.05 0.00 0.01 0.00 0.00 42.46 39.63 1xsb s ILE 29 CO 0.00 0.56 -0.15 -1.61 0.00 0.00 0.00 174.94 173.74 1xsb s GLU 30 N -0.45 1.76 0.18 2.79 2.02 -1.15 -3.89 118.70 119.97 1xsb s GLU 30 Ca 0.08 -1.81 0.10 0.00 0.02 0.00 0.00 54.97 53.36 1xsb s GLU 30 Cb -0.12 -1.77 -0.04 0.00 0.10 0.00 0.00 34.13 32.30 1xsb s GLU 30 CO 0.02 0.27 -0.21 -0.06 0.02 0.00 0.00 175.26 175.30 1xsb s PHE 31 N -2.53 2.05 -0.12 1.61 0.08 -0.54 -0.75 117.98 117.78 1xsb s PHE 31 Ca 0.31 -0.41 -0.24 0.00 0.12 0.00 0.00 56.93 56.71 1xsb s PHE 31 Cb -0.03 -1.01 -0.03 0.00 -0.57 0.00 0.00 43.02 41.39 1xsb s PHE 31 CO 0.16 0.43 0.76 -1.17 -0.10 0.00 0.00 175.22 175.29 1xsb s LEU 32 N -2.73 4.24 -0.04 -0.37 2.96 -0.61 -3.66 118.68 118.47 1xsb s LEU 32 Ca 0.19 1.16 0.04 0.00 -0.22 0.00 0.00 54.13 55.29 1xsb s LEU 32 Cb -0.07 -3.14 0.00 0.00 0.50 0.00 0.00 46.19 43.48 1xsb s LEU 32 CO 0.09 -0.26 -0.15 -0.76 -1.32 0.00 0.00 176.35 173.94 1xsb s LEU 33 N 1.51 1.86 -0.04 -0.68 1.43 -1.12 -4.60 118.68 117.03 1xsb s LEU 33 Ca 0.37 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 53.14 1xsb s LEU 33 Cb -0.17 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 1xsb s LEU 33 CO 0.15 0.12 0.07 -0.76 0.23 0.00 0.00 176.35 176.16 1xsb s LEU 34 N 0.17 3.87 -0.18 1.79 1.43 -1.09 -1.45 118.68 123.21 1xsb s LEU 34 Ca -0.06 0.19 -0.17 0.00 -1.03 0.00 0.00 54.13 53.06 1xsb s LEU 34 Cb -0.12 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 1xsb s LEU 34 CO 0.02 0.32 0.45 -1.58 0.23 0.00 0.00 176.35 175.79 1xsb s GLN 35 N -1.40 4.22 0.45 1.70 0.74 1.45 -2.83 119.66 123.99 1xsb s GLN 35 Ca 0.19 0.32 -0.24 0.00 0.05 0.00 0.00 55.36 55.68 1xsb s GLN 35 Cb -0.12 -3.52 -0.09 0.00 1.10 0.00 0.00 33.01 30.39 1xsb s GLN 35 CO 0.09 -0.01 1.21 0.00 -0.55 0.00 0.00 175.29 176.03 1xsb n ALA 36 N 4.34 1.05 1.90 1.58 0.00 -1.14 -1.47 120.51 126.78 1xsb n ALA 36 Ca -0.07 0.22 0.15 0.00 0.00 0.00 0.00 53.44 53.74 1xsb n ALA 36 Cb 0.51 -2.23 0.85 0.00 0.00 0.00 0.00 19.45 18.57 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 0.02 0.29 -1.64 0.00 3.41 0.42 -4.44 113.62 111.68 1xsb n SER 37 Ca 0.08 -1.12 -0.02 0.00 -0.26 0.00 0.00 58.87 57.55 1xsb n SER 37 Cb 0.41 -0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.36 1xsb n SER 37 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1xsb n ASP 38 N -0.76 -0.63 0.00 4.04 2.03 -1.26 -4.95 116.55 115.01 1xsb n ASP 38 Ca 0.22 -1.39 0.00 0.00 0.52 0.00 0.00 54.79 54.14 1xsb n ASP 38 Cb 0.15 1.04 0.00 0.00 -0.72 0.00 0.00 41.12 41.59 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 -0.20 -0.09 0.00 0.27 0.00 -1.26 -3.07 105.19 100.84 1xsb n GLY 39 Ca -0.02 -1.02 0.14 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.60 -0.61 -5.35 -1.26 -4.86 119.36 104.68 1xsb n ILE 40 Ca 0.00 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.39 1xsb n ILE 40 Cb 0.00 -0.43 0.02 0.00 -1.74 0.00 0.00 39.64 37.49 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 -0.93 -0.85 -1.51 4.28 8.25 -1.18 -4.99 115.22 118.29 1xsb n HIS 41 Ca 0.21 0.23 -0.33 0.00 -0.26 0.00 0.00 57.72 57.57 1xsb n HIS 41 Cb 0.09 -2.48 0.08 0.00 1.12 0.00 0.00 29.99 28.80 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 -2.82 2.32 -0.13 4.41 -3.43 -1.26 -4.53 115.29 109.85 1xsb s HIS 42 Ca 0.13 1.59 -0.06 0.00 -0.80 0.00 0.00 55.06 55.93 1xsb s HIS 42 Cb -0.06 -3.29 -0.04 0.00 -1.43 0.00 0.00 32.58 27.76 1xsb s HIS 42 CO 0.17 -2.13 0.09 -1.58 -2.00 0.00 0.00 174.74 169.28 1xsb s TRP 43 N -2.28 3.40 -0.03 0.38 0.52 -1.26 -2.88 118.94 116.78 1xsb s TRP 43 Ca 0.69 0.33 -0.28 0.00 0.02 0.00 0.00 56.10 56.87 1xsb s TRP 43 Cb -0.24 -1.94 0.06 0.00 -1.15 0.00 0.00 33.47 30.21 1xsb s TRP 43 CO 0.45 0.52 0.61 0.95 0.02 0.00 0.00 176.95 179.50 1xsb s THR 44 N -0.63 0.01 0.72 2.01 -4.23 -1.13 -4.43 115.64 107.97 1xsb s THR 44 Ca 0.12 -0.09 -0.12 0.00 -1.18 0.00 0.00 61.69 60.41 1xsb s THR 44 Cb -0.12 -0.94 0.03 0.00 1.34 0.00 0.00 72.50 72.82 1xsb s THR 44 CO 0.02 -0.05 1.09 -2.16 -0.54 0.00 0.00 174.62 172.99 1xsb s PRO 45 N -1.34 2.53 -0.41 3.99 0.04 -1.26 -2.67 135.00 135.88 1xsb s PRO 45 Ca -0.11 1.24 -0.42 0.00 0.04 0.00 0.00 61.00 61.75 1xsb s PRO 45 Cb -0.01 -1.93 -0.17 0.00 0.04 0.00 0.00 34.50 32.43 1xsb s PRO 45 CO 0.08 -1.44 1.85 -2.30 0.04 0.00 0.00 177.00 175.23 1xsb n PRO 46 N -3.04 0.54 -4.62 0.56 -0.02 -1.26 -4.79 135.00 122.36 1xsb n PRO 46 Ca 0.09 0.18 -0.32 0.00 -2.02 0.00 0.00 63.50 61.43 1xsb n PRO 46 Cb 0.53 -1.84 -0.12 0.00 -0.02 0.00 0.00 33.50 32.05 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 4.32 2.47 0.26 -0.52 1.02 -1.26 -2.57 119.74 123.46 1xsb s LYS 47 Ca 1.07 -0.74 -0.07 0.00 0.02 0.00 0.00 55.97 56.25 1xsb s LYS 47 Cb -1.27 -2.42 -0.01 0.00 -0.52 0.00 0.00 37.83 33.61 1xsb s LYS 47 CO 0.68 0.60 0.39 0.20 -0.92 0.00 0.00 175.35 176.31 1xsb s GLY 48 N -1.18 1.07 -0.08 -3.33 0.00 -0.95 -4.96 107.32 97.89 1xsb s GLY 48 Ca 0.15 -1.29 -0.00 0.00 0.00 0.00 0.00 44.72 43.58 1xsb s GLY 48 CO 0.05 -0.94 -0.05 0.30 0.00 0.00 0.00 173.10 172.46 1xsb s HIS 49 N -3.77 3.01 -0.01 1.90 3.76 -1.26 -1.17 115.29 117.75 1xsb s HIS 49 Ca 0.29 0.03 -0.16 0.00 -0.15 0.00 0.00 55.06 55.07 1xsb s HIS 49 Cb 0.01 -1.76 -0.06 0.00 1.11 0.00 0.00 32.58 31.89 1xsb s HIS 49 CO 0.13 0.33 0.44 0.54 -0.85 0.00 0.00 174.74 175.33 1xsb s VAL 50 N -0.69 5.01 0.35 -0.90 0.11 -1.18 -4.87 120.40 118.23 1xsb s VAL 50 Ca 0.11 0.90 -0.06 0.00 -2.93 0.00 0.00 61.98 60.00 1xsb s VAL 50 Cb -0.11 -3.75 0.08 0.00 -1.53 0.00 0.00 36.38 31.07 1xsb s VAL 50 CO 0.02 0.54 0.45 1.21 -3.33 0.00 0.00 175.10 173.99 1xsb n GLU 51 N 2.05 -0.63 0.00 1.54 4.07 -1.26 -4.86 120.64 121.55 1xsb n GLU 51 Ca -0.13 -0.70 0.00 0.00 -0.06 0.00 0.00 57.16 56.28 1xsb n GLU 51 Cb 0.52 -0.49 0.00 0.00 -0.06 0.00 0.00 31.44 31.41 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 -2.07 0.00 0.00 5.31 -0.04 -1.26 -3.59 135.00 133.35 1xsb n PRO 52 Ca 0.06 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 1xsb n PRO 52 Cb 0.20 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 1.18 0.38 3.89 0.55 0.00 -1.26 -4.79 105.19 105.15 1xsb n GLY 53 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.42 3.70 0.68 1.61 2.12 -1.24 -5.07 118.70 119.08 1xsb s GLU 54 Ca 0.00 0.15 -0.11 0.00 0.36 0.00 0.00 54.97 55.37 1xsb s GLU 54 Cb 0.00 -2.61 -0.00 0.00 0.26 0.00 0.00 34.13 31.78 1xsb s GLU 54 CO 0.00 0.20 1.07 0.34 -0.54 0.00 0.00 175.26 176.33 1xsb s ASP 55 N -2.95 5.68 -0.08 -1.70 -1.08 -1.26 -4.73 116.67 110.55 1xsb s ASP 55 Ca 0.46 1.29 -0.26 0.00 -0.52 0.00 0.00 52.55 53.52 1xsb s ASP 55 Cb -0.11 -2.19 -0.25 0.00 -1.46 0.00 0.00 42.92 38.92 1xsb s ASP 55 CO 0.28 -1.21 0.94 0.44 0.52 0.00 0.00 175.17 176.14 1xsb h ASP 56 N -0.56 0.11 -0.14 -0.34 3.32 -1.97 -3.00 116.42 113.85 1xsb h ASP 56 Ca -0.45 -0.85 -0.07 0.00 0.02 0.00 0.00 57.03 55.69 1xsb h ASP 56 Cb 1.23 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 1xsb h ASP 56 CO 0.62 0.95 -0.20 0.25 -1.72 0.00 0.00 179.24 179.14 1xsb h LEU 57 N -0.70 0.41 -0.99 1.55 5.85 -1.96 -2.94 115.31 116.53 1xsb h LEU 57 Ca -0.02 -0.52 0.15 0.00 0.84 0.00 0.00 57.88 58.33 1xsb h LEU 57 Cb 0.98 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.80 1xsb h LEU 57 CO 0.03 0.85 0.61 -0.33 -0.34 0.00 0.00 178.44 179.26 1xsb h GLU 58 N -0.01 0.85 -0.95 1.25 3.07 -1.97 0.82 114.58 117.64 1xsb h GLU 58 Ca 0.01 -0.05 0.05 0.00 -0.50 0.00 0.00 59.36 58.87 1xsb h GLU 58 Cb 0.76 -0.19 -0.06 0.00 -0.84 0.00 0.00 28.75 28.42 1xsb h GLU 58 CO 0.05 0.56 0.61 1.15 -1.40 0.00 0.00 179.01 179.98 1xsb h THR 59 N 0.87 1.12 -0.36 1.13 2.02 -1.43 0.44 112.91 116.71 1xsb h THR 59 Ca 0.53 -0.39 -0.13 0.00 0.77 0.00 0.00 66.41 67.18 1xsb h THR 59 Cb 0.66 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1xsb h THR 59 CO -0.32 0.21 -0.29 0.00 0.37 0.00 0.00 175.52 175.49 1xsb h ALA 60 N 1.41 0.82 0.19 6.16 0.00 0.54 -1.55 119.26 126.83 1xsb h ALA 60 Ca 0.39 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1xsb h ALA 60 Cb 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1xsb h ALA 60 CO -0.15 0.64 -0.09 -0.07 0.00 0.00 0.00 179.25 179.58 1xsb h LEU 61 N 0.64 -0.22 -1.01 0.00 3.38 0.19 0.84 115.31 119.14 1xsb h LEU 61 Ca 0.08 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1xsb h LEU 61 Cb 0.82 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 1xsb h LEU 61 CO 0.07 0.07 0.67 -0.09 0.09 0.00 0.00 178.44 179.24 1xsb h ARG 62 N -0.52 1.30 -0.25 1.13 2.43 -0.20 -1.80 114.38 116.49 1xsb h ARG 62 Ca -0.03 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 58.94 1xsb h ARG 62 Cb 0.39 -0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1xsb h ARG 62 CO 0.04 0.86 -0.38 0.00 -1.51 0.00 0.00 179.97 178.99 1xsb h ALA 63 N 1.38 0.89 -0.68 2.80 0.00 -1.17 -1.68 119.26 120.80 1xsb h ALA 63 Ca 0.38 -0.42 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1xsb h ALA 63 Cb -0.12 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.50 1xsb h ALA 63 CO -0.09 0.63 0.37 1.15 0.00 0.00 0.00 179.25 181.31 1xsb h THR 64 N 0.46 0.95 0.16 0.00 2.02 0.06 -0.55 112.91 116.01 1xsb h THR 64 Ca 0.04 -0.23 -0.29 0.00 0.77 0.00 0.00 66.41 66.70 1xsb h THR 64 Cb 0.87 0.21 0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1xsb h THR 64 CO 0.07 0.12 -1.33 -0.61 0.37 0.00 0.00 175.52 174.15 1xsb h GLN 65 N 0.68 0.34 -0.60 6.66 4.15 -0.93 -0.87 115.11 124.53 1xsb h GLN 65 Ca 0.31 -0.57 -0.04 0.00 0.77 0.00 0.00 58.65 59.12 1xsb h GLN 65 Cb 0.22 0.21 -0.03 0.00 0.21 0.00 0.00 27.48 28.10 1xsb h GLN 65 CO -0.20 1.27 0.21 0.93 -1.93 0.00 0.00 178.83 179.10 1xsb h GLU 66 N 0.09 0.90 -0.04 1.69 5.08 -0.93 2.99 114.58 124.37 1xsb h GLU 66 Ca -0.17 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1xsb h GLU 66 Cb 2.03 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.13 1xsb h GLU 66 CO 0.22 0.76 0.00 0.39 -1.00 0.00 0.00 179.01 179.38 1xsb n GLU 67 N -4.30 1.92 0.00 2.33 -0.58 -0.25 -4.06 120.64 115.71 1xsb n GLU 67 Ca 0.05 -1.76 0.00 0.00 -0.42 0.00 0.00 57.16 55.03 1xsb n GLU 67 Cb 0.19 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 1xsb n GLU 67 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xsb n ALA 68 N 1.18 0.59 -0.28 0.62 0.00 0.56 -4.19 120.51 118.99 1xsb n ALA 68 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1xsb n ALA 68 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 0.21 0.81 3.57 0.00 0.00 1.00 0.48 105.19 111.26 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 -2.66 4.91 0.44 -0.61 1.01 -1.21 -4.74 121.20 118.35 1xsb s ILE 70 Ca 0.00 0.03 0.06 0.00 0.00 0.00 0.00 60.65 60.74 1xsb s ILE 70 Cb 0.00 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 1xsb s ILE 70 CO 0.00 0.34 0.19 -0.70 0.00 0.00 0.00 174.94 174.78 1xsb s GLU 71 N 1.25 2.22 0.52 2.79 2.12 -1.26 -1.23 118.70 125.10 1xsb s GLU 71 Ca 0.06 -1.93 0.29 0.00 0.36 0.00 0.00 54.97 53.75 1xsb s GLU 71 Cb -0.14 -1.95 1.42 0.00 0.26 0.00 0.00 34.13 33.72 1xsb s GLU 71 CO 0.05 -0.21 1.90 0.00 -0.54 0.00 0.00 175.26 176.46 1xsb h ALA 72 N 1.33 2.71 0.00 6.30 0.00 -1.87 2.36 119.26 130.09 1xsb h ALA 72 Ca -0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1xsb h ALA 72 Cb 1.27 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1xsb h ALA 72 CO 0.69 -0.95 0.00 0.41 0.00 0.00 0.00 179.25 179.40 1xsb n GLY 73 N -1.68 -0.87 0.00 0.00 0.00 -1.26 -2.43 105.19 98.96 1xsb n GLY 73 Ca 0.17 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 46.13 1xsb n GLY 73 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xsb n GLN 74 N -1.32 5.22 -2.55 1.61 6.02 0.78 -5.02 117.38 122.12 1xsb n GLN 74 Ca 0.07 -0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 57.00 1xsb n GLN 74 Cb 0.14 -0.70 -0.02 0.00 1.02 0.00 0.00 30.24 30.69 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 -1.14 0.00 -3.83 1.08 -0.00 -0.25 -0.34 117.00 112.52 1xsb n LEU 75 Ca 0.00 -0.71 -0.29 0.00 -0.00 0.00 0.00 56.01 55.02 1xsb n LEU 75 Cb 0.05 0.20 -0.16 0.00 -0.00 0.00 0.00 43.42 43.52 1xsb n LEU 75 CO 0.06 -0.11 -0.39 -0.89 -0.00 0.00 0.00 177.39 176.06 1xsb s THR 76 N -1.79 1.00 -0.00 1.47 2.01 0.67 -4.79 115.64 114.20 1xsb s THR 76 Ca 0.04 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 60.83 1xsb s THR 76 Cb 0.00 -1.42 -0.03 0.00 0.01 0.00 0.00 72.50 71.06 1xsb s THR 76 CO 0.03 -0.19 1.02 -0.63 -0.69 0.00 0.00 174.62 174.16 1xsb s ILE 77 N 1.63 4.74 0.16 1.82 -1.09 -1.26 -1.71 121.20 125.49 1xsb s ILE 77 Ca -0.03 1.97 -0.21 0.00 -2.23 0.00 0.00 60.65 60.15 1xsb s ILE 77 Cb -0.18 -4.26 -0.08 0.00 -1.58 0.00 0.00 42.46 36.36 1xsb s ILE 77 CO -0.08 0.14 0.69 -0.63 -1.23 0.00 0.00 174.94 173.83 1xsb s ILE 78 N 1.13 4.56 0.10 2.92 1.09 0.65 -4.98 121.20 126.67 1xsb s ILE 78 Ca 0.53 1.38 0.03 0.00 -1.10 0.00 0.00 60.65 61.49 1xsb s ILE 78 Cb -0.22 -3.96 -0.04 0.00 -1.06 0.00 0.00 42.46 37.19 1xsb s ILE 78 CO 0.27 0.40 0.16 -1.61 -0.10 0.00 0.00 174.94 174.07 1xsb s GLU 79 N -1.48 3.14 0.00 2.79 2.02 -1.26 -4.41 118.70 119.49 1xsb s GLU 79 Ca 0.37 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.71 1xsb s GLU 79 Cb -0.19 -2.84 0.00 0.00 0.10 0.00 0.00 34.13 31.20 1xsb s GLU 79 CO 0.22 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.46 1xsb n GLY 80 N 0.07 3.28 3.45 -1.39 0.00 -1.26 -5.04 105.19 104.30 1xsb n GLY 80 Ca -0.07 0.00 -0.34 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 -2.83 3.01 -0.20 1.61 2.19 -1.26 -5.08 117.98 115.42 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 0.06 0.00 -1.31 0.00 0.00 43.02 39.75 1xsb s PHE 81 CO 0.00 -0.19 0.51 0.21 1.83 0.00 0.00 175.22 177.58 1xsb s LYS 82 N 0.76 0.53 -0.28 10.12 2.20 -1.26 -4.70 119.74 127.11 1xsb s LYS 82 Ca -0.01 0.86 -0.21 0.00 -0.36 0.00 0.00 55.97 56.24 1xsb s LYS 82 Cb -0.14 0.12 0.09 0.00 -1.51 0.00 0.00 37.83 36.38 1xsb s LYS 82 CO 0.02 -0.13 0.78 0.50 -0.36 0.00 0.00 175.35 176.16 1xsb s ARG 83 N 1.06 0.71 -0.06 4.03 6.06 -1.25 -5.03 118.95 124.46 1xsb s ARG 83 Ca -0.06 0.99 0.05 0.00 -2.50 0.00 0.00 55.73 54.20 1xsb s ARG 83 Cb -0.06 0.27 -0.02 0.00 0.06 0.00 0.00 34.95 35.20 1xsb s ARG 83 CO -0.10 -0.11 -0.21 -1.83 -2.50 0.00 0.00 175.30 170.56 1xsb s GLU 84 N 0.85 2.59 -0.34 5.12 1.03 -1.25 -1.16 118.70 125.55 1xsb s GLU 84 Ca -0.04 -0.82 -0.21 0.00 0.03 0.00 0.00 54.97 53.93 1xsb s GLU 84 Cb -0.05 -2.27 0.00 0.00 -0.80 0.00 0.00 34.13 31.01 1xsb s GLU 84 CO -0.08 0.45 0.67 -0.51 -1.33 0.00 0.00 175.26 174.45 1xsb s LEU 85 N -0.30 4.19 -0.22 1.83 1.43 0.27 -4.70 118.68 121.18 1xsb s LEU 85 Ca 0.01 0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 53.37 1xsb s LEU 85 Cb -0.13 -2.85 0.00 0.00 0.03 0.00 0.00 46.19 43.25 1xsb s LEU 85 CO 0.02 -0.58 -0.06 0.20 0.23 0.00 0.00 176.35 176.16 1xsb s ASN 86 N 1.75 4.18 0.06 2.29 0.01 -1.25 -1.65 114.94 120.32 1xsb s ASN 86 Ca 0.26 -0.55 -0.23 0.00 -0.71 0.00 0.00 52.86 51.64 1xsb s ASN 86 Cb -0.14 -1.69 0.06 0.00 0.41 0.00 0.00 41.25 39.88 1xsb s ASN 86 CO 0.14 -0.05 0.55 -0.72 -1.51 0.00 0.00 177.10 175.51 1xsb s TYR 87 N 1.42 -0.46 -0.31 2.20 -0.85 -1.20 -4.90 117.35 113.24 1xsb s TYR 87 Ca 0.04 0.48 -0.09 0.00 -0.52 0.00 0.00 57.07 56.99 1xsb s TYR 87 Cb -0.15 0.39 0.00 0.00 0.38 0.00 0.00 41.96 42.58 1xsb s TYR 87 CO -0.05 -0.68 0.13 0.54 -1.52 0.00 0.00 175.55 173.97 1xsb s VAL 88 N -2.64 4.35 0.00 -3.49 0.11 -1.26 -0.97 120.40 116.51 1xsb s VAL 88 Ca -0.04 -0.58 0.00 0.00 -2.93 0.00 0.00 61.98 58.43 1xsb s VAL 88 Cb -0.00 -3.25 0.00 0.00 -1.53 0.00 0.00 36.38 31.59 1xsb s VAL 88 CO -0.03 0.04 0.00 0.00 -3.33 0.00 0.00 175.10 171.77 1xsb n ALA 89 N 4.94 0.00 -0.16 1.54 0.00 -1.07 -4.64 120.51 121.12 1xsb n ALA 89 Ca -0.14 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.28 1xsb n ALA 89 Cb 0.48 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.00 1xsb n ALA 89 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1xsb h ARG 90 N 0.00 0.24 0.00 0.00 2.43 -2.04 -3.41 114.38 111.59 1xsb h ARG 90 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1xsb h ARG 90 Cb 0.00 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1xsb h ARG 90 CO 0.00 0.16 0.00 -1.71 -1.51 0.00 0.00 179.97 176.91 1xsb n ASN 91 N -5.10 0.00 -3.92 -3.80 2.85 -1.26 -5.13 115.26 98.89 1xsb n ASN 91 Ca 0.05 -0.29 -0.17 0.00 -0.11 0.00 0.00 54.58 54.06 1xsb n ASN 91 Cb 0.24 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.11 1xsb n ASN 91 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 1xsb s LYS 92 N 0.00 0.47 0.12 1.20 0.00 -1.26 -5.05 119.74 115.22 1xsb s LYS 92 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 55.97 55.55 1xsb s LYS 92 Cb 0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 37.83 37.28 1xsb s LYS 92 CO 0.00 0.03 1.01 -1.25 0.00 0.00 0.00 175.35 175.14 1xsb s PRO 93 N 0.26 4.66 -0.11 1.78 0.04 -1.26 -2.59 135.00 137.78 1xsb s PRO 93 Ca -0.03 1.53 0.02 0.00 0.04 0.00 0.00 61.00 62.57 1xsb s PRO 93 Cb -0.06 -3.35 0.01 0.00 0.04 0.00 0.00 34.50 31.14 1xsb s PRO 93 CO -0.00 0.15 -0.17 0.15 0.04 0.00 0.00 177.00 177.16 1xsb s LYS 94 N -0.03 2.42 -0.23 4.56 1.02 -0.14 -1.17 119.74 126.17 1xsb s LYS 94 Ca 0.48 -0.64 -0.20 0.00 0.02 0.00 0.00 55.97 55.62 1xsb s LYS 94 Cb -0.25 -1.98 -0.02 0.00 -0.52 0.00 0.00 37.83 35.05 1xsb s LYS 94 CO 0.31 -0.00 0.62 0.99 -0.92 0.00 0.00 175.35 176.35 1xsb s THR 95 N 0.81 5.01 -0.24 2.17 2.01 0.41 -3.26 115.64 122.55 1xsb s THR 95 Ca -0.10 1.14 0.02 0.00 0.31 0.00 0.00 61.69 63.06 1xsb s THR 95 Cb -0.16 -3.93 0.05 0.00 0.01 0.00 0.00 72.50 68.47 1xsb s THR 95 CO 0.01 0.07 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.19 1xsb s VAL 96 N 2.19 2.12 -0.17 3.82 1.01 -0.66 0.41 120.40 129.13 1xsb s VAL 96 Ca 0.27 -1.42 -0.17 0.00 0.00 0.00 0.00 61.98 60.66 1xsb s VAL 96 Cb -0.16 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1xsb s VAL 96 CO 0.09 0.14 0.42 -0.63 0.00 0.00 0.00 175.10 175.12 1xsb s ILE 97 N 1.16 5.20 -0.12 2.22 -1.09 -0.13 0.97 121.20 129.42 1xsb s ILE 97 Ca -0.05 0.79 0.01 0.00 -2.23 0.00 0.00 60.65 59.17 1xsb s ILE 97 Cb -0.18 -3.76 -0.01 0.00 -1.58 0.00 0.00 42.46 36.93 1xsb s ILE 97 CO -0.07 0.29 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.47 1xsb s TYR 98 N 0.96 2.77 0.00 3.97 2.02 -0.31 -2.37 117.35 124.39 1xsb s TYR 98 Ca 0.22 -0.68 0.04 0.00 -0.37 0.00 0.00 57.07 56.28 1xsb s TYR 98 Cb -0.15 -1.81 -0.03 0.00 -0.40 0.00 0.00 41.96 39.57 1xsb s TYR 98 CO 0.08 -0.22 -0.12 -1.58 -1.57 0.00 0.00 175.55 172.14 1xsb s TRP 99 N 0.30 2.74 0.16 2.71 0.51 -1.25 -3.94 118.94 120.17 1xsb s TRP 99 Ca -0.11 -0.13 -0.30 0.00 -2.12 0.00 0.00 56.10 53.44 1xsb s TRP 99 Cb -0.16 -1.57 -0.07 0.00 -0.81 0.00 0.00 33.47 30.86 1xsb s TRP 99 CO 0.06 0.29 1.04 -0.51 -0.51 0.00 0.00 176.95 177.32 1xsb s LEU 100 N -1.25 4.51 0.03 2.99 1.43 -1.26 -1.71 118.68 123.42 1xsb s LEU 100 Ca 0.15 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.23 1xsb s LEU 100 Cb -0.11 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.49 1xsb s LEU 100 CO 0.05 -0.13 -0.04 0.00 0.23 0.00 0.00 176.35 176.46 1xsb s ALA 101 N -0.26 0.31 -0.14 4.21 0.00 0.36 -0.25 121.76 125.98 1xsb s ALA 101 Ca 0.48 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.69 1xsb s ALA 101 Cb -0.27 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.02 1xsb s ALA 101 CO 0.33 -0.17 -0.16 -2.00 0.00 0.00 0.00 175.76 173.75 1xsb s GLU 102 N -1.99 2.49 0.11 0.00 2.12 -0.69 0.40 118.70 121.14 1xsb s GLU 102 Ca -0.10 -0.64 -0.30 0.00 0.36 0.00 0.00 54.97 54.28 1xsb s GLU 102 Cb -0.06 -2.17 -0.06 0.00 0.26 0.00 0.00 34.13 32.10 1xsb s GLU 102 CO -0.02 -0.15 1.11 0.14 -0.54 0.00 0.00 175.26 175.79 1xsb s VAL 103 N 1.23 4.10 0.21 3.70 -7.23 -1.26 -0.24 120.40 120.91 1xsb s VAL 103 Ca 0.00 1.65 -0.10 0.00 -1.81 0.00 0.00 61.98 61.72 1xsb s VAL 103 Cb -0.14 -4.05 0.15 0.00 0.56 0.00 0.00 36.38 32.90 1xsb s VAL 103 CO -0.07 0.21 1.86 0.11 -0.31 0.00 0.00 175.10 176.89 1xsb h LYS 104 N 5.96 0.89 -5.87 4.82 1.57 -1.01 -3.43 116.57 119.50 1xsb h LYS 104 Ca -0.43 -0.05 -0.63 0.00 -1.87 0.00 0.00 60.65 57.67 1xsb h LYS 104 Cb 1.21 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 33.27 1xsb h LYS 104 CO 0.76 0.59 -0.38 0.34 -0.57 0.00 0.00 179.45 180.18 1xsb s ASP 105 N -5.79 6.51 0.13 0.86 -1.08 -1.26 -4.98 116.67 111.06 1xsb s ASP 105 Ca -0.13 0.58 -0.12 0.00 -0.52 0.00 0.00 52.55 52.37 1xsb s ASP 105 Cb 0.15 -2.10 -0.07 0.00 -1.46 0.00 0.00 42.92 39.45 1xsb s ASP 105 CO 0.77 0.29 1.44 0.22 0.52 0.00 0.00 175.17 178.41 1xsb h TYR 106 N 4.21 1.09 -0.70 -5.34 3.20 -2.01 -2.65 116.97 114.77 1xsb h TYR 106 Ca -0.51 -0.35 -0.19 0.00 3.14 0.00 0.00 58.73 60.82 1xsb h TYR 106 Cb 1.20 -0.22 -0.11 0.00 1.54 0.00 0.00 36.73 39.14 1xsb h TYR 106 CO 0.70 1.17 0.24 -3.47 -1.64 0.00 0.00 178.16 175.16 1xsb n ASP 107 N -4.07 4.80 -4.29 -2.11 2.03 -1.26 -4.99 116.55 106.66 1xsb n ASP 107 Ca -0.03 -3.13 -0.38 0.00 0.52 0.00 0.00 54.79 51.77 1xsb n ASP 107 Cb 0.57 -0.73 0.03 0.00 -0.72 0.00 0.00 41.12 40.27 1xsb n ASP 107 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1xsb n VAL 108 N -0.05 0.73 -2.12 5.18 3.14 -1.00 -4.80 118.33 119.41 1xsb n VAL 108 Ca 0.38 -0.48 -0.38 0.00 -2.96 0.00 0.00 64.34 60.90 1xsb n VAL 108 Cb 1.33 -0.26 0.00 0.00 -1.06 0.00 0.00 33.84 33.85 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 -1.68 3.64 -0.29 1.45 -1.05 -1.26 -5.00 118.70 114.51 1xsb s GLU 109 Ca 0.58 1.93 0.02 0.00 -0.15 0.00 0.00 54.97 57.35 1xsb s GLU 109 Cb -0.41 -2.42 0.08 0.00 -0.44 0.00 0.00 34.13 30.94 1xsb s GLU 109 CO 0.65 -0.69 0.01 0.42 0.95 0.00 0.00 175.26 176.60 1xsb s ILE 110 N -1.45 1.69 -0.19 1.83 -1.09 -1.24 -4.41 121.20 116.34 1xsb s ILE 110 Ca 0.64 -1.66 -0.07 0.00 -2.23 0.00 0.00 60.65 57.33 1xsb s ILE 110 Cb -0.33 -2.10 -0.04 0.00 -1.58 0.00 0.00 42.46 38.42 1xsb s ILE 110 CO 0.40 -0.38 0.06 -0.13 -1.23 0.00 0.00 174.94 173.65 1xsb s ARG 111 N 1.26 3.89 -0.12 2.79 1.81 1.75 -4.91 118.95 125.42 1xsb s ARG 111 Ca 0.03 -0.38 -0.00 0.00 -1.72 0.00 0.00 55.73 53.65 1xsb s ARG 111 Cb -0.19 -3.21 -0.02 0.00 -0.45 0.00 0.00 34.95 31.08 1xsb s ARG 111 CO -0.11 0.19 -0.11 -0.51 -0.68 0.00 0.00 175.30 174.08 1xsb s LEU 112 N 0.60 2.86 0.85 2.53 1.43 -1.26 -0.32 118.68 125.36 1xsb s LEU 112 Ca 0.03 -0.25 -0.12 0.00 -1.03 0.00 0.00 54.13 52.75 1xsb s LEU 112 Cb -0.13 -1.65 0.12 0.00 0.03 0.00 0.00 46.19 44.57 1xsb s LEU 112 CO 0.01 0.20 1.20 -0.94 0.23 0.00 0.00 176.35 177.06 1xsb s SER 113 N 0.17 4.02 0.53 2.29 1.04 -1.25 -4.80 113.70 115.70 1xsb s SER 113 Ca -0.06 0.50 0.34 0.00 0.48 0.00 0.00 55.95 57.21 1xsb s SER 113 Cb -0.15 -0.84 1.50 0.00 0.10 0.00 0.00 66.02 66.64 1xsb s SER 113 CO 0.04 -2.17 1.82 0.45 0.98 0.00 0.00 173.24 174.36 1xsb h HIS 114 N -1.19 0.06 -0.40 5.02 -0.00 -1.99 0.62 115.15 117.26 1xsb h HIS 114 Ca -0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 59.90 1xsb h HIS 114 Cb 1.29 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 28.66 1xsb h HIS 114 CO -0.25 0.00 0.14 0.93 -0.00 0.00 0.00 177.93 178.76 1xsb h GLU 115 N 0.04 0.57 -6.55 2.45 4.39 -1.96 -3.39 114.58 110.13 1xsb h GLU 115 Ca 0.54 -0.08 -0.66 0.00 0.34 0.00 0.00 59.36 59.50 1xsb h GLU 115 Cb 2.11 -0.11 -0.27 0.00 -0.10 0.00 0.00 28.75 30.38 1xsb h GLU 115 CO -0.03 0.49 -0.87 -1.01 -1.16 0.00 0.00 179.01 176.43 1xsb s HIS 116 N -5.24 2.18 0.00 4.33 3.76 0.22 0.16 115.29 120.70 1xsb s HIS 116 Ca -0.08 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.43 1xsb s HIS 116 Cb 0.16 -1.31 0.00 0.00 1.11 0.00 0.00 32.58 32.54 1xsb s HIS 116 CO 0.75 0.11 0.00 0.00 -0.85 0.00 0.00 174.74 174.75 1xsb n GLN 117 N 1.85 2.46 -3.68 1.40 10.64 -0.54 -3.87 117.38 125.64 1xsb n GLN 117 Ca -0.17 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 54.89 1xsb n GLN 117 Cb 0.52 -0.82 -0.06 0.00 -0.86 0.00 0.00 30.24 29.03 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 -1.62 -0.84 0.05 2.61 0.00 -1.25 -4.98 121.76 115.75 1xsb s ALA 118 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.91 1xsb s ALA 118 Cb 0.00 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 1xsb s ALA 118 CO 0.00 -0.56 -0.00 1.52 0.00 0.00 0.00 175.76 176.72 1xsb s TYR 119 N -3.36 0.47 0.02 0.00 1.13 -1.26 0.43 117.35 114.78 1xsb s TYR 119 Ca 0.00 -1.00 -0.00 0.00 -1.41 0.00 0.00 57.07 54.66 1xsb s TYR 119 Cb 0.01 -0.35 -0.02 0.00 -1.10 0.00 0.00 41.96 40.50 1xsb s TYR 119 CO -0.09 -0.40 -0.03 1.03 -2.51 0.00 0.00 175.55 173.56 1xsb s ARG 120 N -3.88 0.34 -0.38 -3.49 0.52 -0.53 -4.94 118.95 106.59 1xsb s ARG 120 Ca 0.06 -0.67 -0.08 0.00 -0.52 0.00 0.00 55.73 54.53 1xsb s ARG 120 Cb 0.07 0.12 0.06 0.00 0.52 0.00 0.00 34.95 35.72 1xsb s ARG 120 CO -0.10 -0.06 0.18 -1.58 0.02 0.00 0.00 175.30 173.76 1xsb s TRP 121 N -1.68 3.31 0.36 -0.53 0.52 -1.26 -2.80 118.94 116.85 1xsb s TRP 121 Ca -0.14 -1.48 0.03 0.00 0.02 0.00 0.00 56.10 54.54 1xsb s TRP 121 Cb -0.08 -2.61 -0.05 0.00 -1.15 0.00 0.00 33.47 29.59 1xsb s TRP 121 CO -0.02 -0.78 0.09 -0.51 0.02 0.00 0.00 176.95 175.75 1xsb s LEU 122 N 1.41 2.08 0.00 2.99 1.02 -1.24 -4.93 118.68 120.01 1xsb s LEU 122 Ca 0.01 -1.50 -0.11 0.00 0.02 0.00 0.00 54.13 52.55 1xsb s LEU 122 Cb -0.21 -0.27 0.18 0.00 0.02 0.00 0.00 46.19 45.91 1xsb s LEU 122 CO 0.02 -0.75 1.07 0.61 0.02 0.00 0.00 176.35 177.32 1xsb n GLY 123 N -0.78 -0.90 0.32 -3.19 0.00 -1.26 -1.47 105.19 97.91 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 0.91 0.25 0.99 5.85 -1.96 0.35 115.31 121.70 1xsb h LEU 124 Ca -0.35 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.37 1xsb h LEU 124 Cb 1.03 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 1xsb h LEU 124 CO 0.27 0.62 -0.31 1.05 -0.34 0.00 0.00 178.44 179.73 1xsb h GLU 125 N 1.06 -0.59 -0.17 1.25 4.11 -1.94 0.59 114.58 118.90 1xsb h GLU 125 Ca 0.34 0.04 -0.08 0.00 0.07 0.00 0.00 59.36 59.74 1xsb h GLU 125 Cb 0.02 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1xsb h GLU 125 CO -0.12 -0.39 -0.19 0.93 0.07 0.00 0.00 179.01 179.30 1xsb h GLU 126 N -0.61 0.43 -0.76 1.06 3.07 -1.87 0.44 114.58 116.34 1xsb h GLU 126 Ca -0.00 -0.24 0.13 0.00 -0.50 0.00 0.00 59.36 58.76 1xsb h GLU 126 Cb 0.58 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.45 1xsb h GLU 126 CO -0.10 0.81 0.50 0.00 -1.40 0.00 0.00 179.01 178.82 1xsb h ALA 127 N 0.61 2.00 0.04 3.43 0.00 -0.15 0.63 119.26 125.82 1xsb h ALA 127 Ca 0.02 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.66 1xsb h ALA 127 Cb 0.74 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.47 1xsb h ALA 127 CO 0.05 -0.19 -1.10 0.00 0.00 0.00 0.00 179.25 178.00 1xsb h GLN 129 N 0.34 -0.16 -0.07 0.00 -0.00 0.30 -3.03 115.11 112.49 1xsb h GLN 129 Ca -0.14 0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.51 1xsb h GLN 129 Cb 1.76 0.04 -0.00 0.00 -0.00 0.00 0.00 27.48 29.27 1xsb h GLN 129 CO 0.21 -0.01 0.02 -0.07 -0.00 0.00 0.00 178.83 178.99 1xsb h LEU 130 N -0.29 0.10 -4.58 0.06 3.38 0.02 -2.82 115.31 111.19 1xsb h LEU 130 Ca -0.02 -0.20 -0.21 0.00 0.09 0.00 0.00 57.88 57.55 1xsb h LEU 130 Cb 0.23 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1xsb h LEU 130 CO 0.03 0.27 0.64 0.00 0.09 0.00 0.00 178.44 179.47 1xsb n ALA 131 N -2.21 4.79 -0.42 1.53 0.00 -0.19 -4.21 120.51 119.80 1xsb n ALA 131 Ca -0.06 -1.50 0.35 0.00 0.00 0.00 0.00 53.44 52.23 1xsb n ALA 131 Cb 0.13 -2.49 0.59 0.00 0.00 0.00 0.00 19.45 17.68 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 3.00 -0.03 -1.68 0.00 10.64 -1.06 -3.71 117.38 124.54 1xsb n GLN 132 Ca 0.35 1.09 -0.49 0.00 -1.83 0.00 0.00 57.00 56.12 1xsb n GLN 132 Cb 0.50 -2.15 -0.05 0.00 -0.86 0.00 0.00 30.24 27.68 1xsb n GLN 132 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1xsb n PHE 133 N -4.42 2.29 -0.21 2.61 3.72 -1.26 -4.81 117.46 115.38 1xsb n PHE 133 Ca 0.35 0.09 0.07 0.00 -0.05 0.00 0.00 57.45 57.91 1xsb n PHE 133 Cb 1.38 -2.63 0.35 0.00 -0.94 0.00 0.00 39.48 37.64 1xsb n PHE 133 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1xsb h LYS 134 N 8.49 0.74 -0.59 -1.08 3.64 -1.96 -1.32 116.57 124.50 1xsb h LYS 134 Ca -0.48 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 58.94 1xsb h LYS 134 Cb 1.27 -0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 32.86 1xsb h LYS 134 CO 0.94 0.49 0.23 0.93 -2.27 0.00 0.00 179.45 179.76 1xsb h GLU 135 N 0.76 0.40 -0.02 1.90 5.08 -1.89 0.53 114.58 121.35 1xsb h GLU 135 Ca 0.34 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.58 1xsb h GLU 135 Cb 0.34 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.51 1xsb h GLU 135 CO -0.12 0.27 -0.36 0.52 -1.00 0.00 0.00 179.01 178.31 1xsb h MET 136 N 0.41 0.28 -0.85 2.33 2.86 -1.62 0.71 114.93 119.06 1xsb h MET 136 Ca 0.29 -0.27 0.14 0.00 -2.06 0.00 0.00 59.70 57.79 1xsb h MET 136 Cb 0.33 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.00 1xsb h MET 136 CO -0.28 0.97 0.55 0.87 1.06 0.00 0.00 176.91 180.07 1xsb h LYS 137 N -0.31 0.61 -0.03 1.72 1.57 -0.89 1.49 116.57 120.72 1xsb h LYS 137 Ca -0.04 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1xsb h LYS 137 Cb 1.08 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1xsb h LYS 137 CO 0.07 0.40 -0.11 0.00 -0.57 0.00 0.00 179.45 179.24 1xsb h ALA 138 N 1.61 0.06 -0.20 3.86 0.00 0.23 0.42 119.26 125.24 1xsb h ALA 138 Ca 0.42 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1xsb h ALA 138 Cb 0.72 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1xsb h ALA 138 CO -0.18 -0.04 -0.00 0.00 0.00 0.00 0.00 179.25 179.03 1xsb h ALA 139 N 0.41 0.17 -0.13 0.00 0.00 0.27 2.40 119.26 122.37 1xsb h ALA 139 Ca -0.00 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1xsb h ALA 139 Cb 0.75 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1xsb h ALA 139 CO 0.02 -0.43 -0.11 -0.07 0.00 0.00 0.00 179.25 178.66 1xsb h LEU 140 N 0.06 0.19 0.07 0.00 3.38 0.19 0.11 115.31 119.31 1xsb h LEU 140 Ca 0.09 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xsb h LEU 140 Cb 0.12 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1xsb h LEU 140 CO -0.16 0.33 -0.03 1.56 0.09 0.00 0.00 178.44 180.22 1xsb h GLN 141 N 0.19 -0.09 -0.24 1.13 1.08 0.33 -2.61 115.11 114.90 1xsb h GLN 141 Ca 0.04 0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.16 1xsb h GLN 141 Cb 0.33 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 1xsb h GLN 141 CO 0.02 0.46 -0.23 0.93 -0.95 0.00 0.00 178.83 179.06 1xsb h GLU 142 N -0.76 0.44 -0.07 1.46 4.39 0.40 -0.59 114.58 119.84 1xsb h GLU 142 Ca -0.01 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.53 1xsb h GLU 142 Cb 0.60 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1xsb h GLU 142 CO 0.02 0.65 0.04 0.78 -1.16 0.00 0.00 179.01 179.33 1xsb h GLY 143 N 1.00 0.11 1.02 -3.84 0.00 -0.85 -0.70 103.07 99.82 1xsb h GLY 143 Ca 0.06 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1xsb h GLY 143 CO 0.04 0.05 0.25 0.84 0.00 0.00 0.00 176.54 177.72 1xsb h HIS 144 N -0.00 1.03 -0.63 5.60 -0.00 -1.29 -1.47 115.15 118.39 1xsb h HIS 144 Ca 0.03 -0.09 0.06 0.00 -0.00 0.00 0.00 60.37 60.37 1xsb h HIS 144 Cb 0.11 -0.30 -0.05 0.00 -0.00 0.00 0.00 27.41 27.16 1xsb h HIS 144 CO -0.03 0.81 0.34 0.37 -0.00 0.00 0.00 177.93 179.42 1xsb h GLN 145 N 0.95 0.62 -0.04 5.26 5.75 -0.71 -1.59 115.11 125.35 1xsb h GLN 145 Ca 0.22 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.65 1xsb h GLN 145 Cb 0.24 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.65 1xsb h GLN 145 CO -0.01 0.41 -0.10 0.35 -2.65 0.00 0.00 178.83 176.83 1xsb h PHE 146 N 0.63 0.16 -0.64 3.99 3.04 -0.84 -3.13 116.94 120.15 1xsb h PHE 146 Ca 0.29 -0.06 0.14 0.00 3.98 0.00 0.00 57.97 62.31 1xsb h PHE 146 Cb 0.19 -0.03 -0.04 0.00 2.56 0.00 0.00 35.95 38.63 1xsb h PHE 146 CO -0.09 0.71 0.44 -0.07 -2.02 0.00 0.00 178.31 177.28 1xsb h LEU 147 N -0.42 0.25 -0.08 0.59 3.38 -1.10 1.10 115.31 119.03 1xsb h LEU 147 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xsb h LEU 147 Cb 0.71 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1xsb h LEU 147 CO 0.02 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.69 1xsb n SER 149 N -1.62 0.59 0.00 0.00 7.64 0.38 -4.83 113.62 115.77 1xsb n SER 149 Ca 0.04 -0.30 0.00 0.00 1.01 0.00 0.00 58.87 59.62 1xsb n SER 149 Cb 0.24 0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 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 -1.60 0.00 0.02 0.44 5.41 -1.00 -5.09 119.36 117.54 1xsb n ILE 150 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.80 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 -5.02 120.64 116.86 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 -2.59 0.00 0.16 4.31 0.00 -1.26 -5.11 120.51 116.02 1xsb n ALA 152 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1xsb n ALA 152 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 1xsb n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78