#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 3.87 0.41 1.61 0.04 -1.26 -4.94 135.00 134.73 1xsb s PRO 2 Ca 0.00 1.61 0.08 0.00 0.04 0.00 0.00 61.00 62.73 1xsb s PRO 2 Cb 0.00 -2.37 0.87 0.00 0.04 0.00 0.00 34.50 33.04 1xsb s PRO 2 CO 0.00 -0.42 2.04 1.25 0.04 0.00 0.00 177.00 179.91 1xsb h LEU 3 N 2.06 0.47 -3.78 -3.56 5.85 -2.08 -3.03 115.31 111.24 1xsb h LEU 3 Ca -0.49 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1xsb h LEU 3 Cb 1.23 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1xsb h LEU 3 CO 0.60 0.33 0.00 0.61 -0.34 0.00 0.00 178.44 179.65 1xsb n GLY 4 N -1.48 0.58 3.74 3.75 0.00 -1.26 -4.83 105.19 105.70 1xsb n GLY 4 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1xsb n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xsb s SER 5 N 1.92 5.08 0.76 1.61 0.15 -1.15 -5.00 113.70 117.08 1xsb s SER 5 Ca 0.00 2.71 -0.03 0.00 0.70 0.00 0.00 55.95 59.33 1xsb s SER 5 Cb 0.00 -2.63 0.15 0.00 -1.71 0.00 0.00 66.02 61.83 1xsb s SER 5 CO 0.00 -1.69 0.98 0.80 1.20 0.00 0.00 173.24 174.52 1xsb n MET 6 N -1.29 -0.26 -1.13 5.44 1.56 -1.26 -4.96 117.12 115.22 1xsb n MET 6 Ca 0.12 -2.40 0.11 0.00 -0.27 0.00 0.00 57.70 55.26 1xsb n MET 6 Cb 0.46 -0.73 -0.06 0.00 2.15 0.00 0.00 33.22 35.04 1xsb n MET 6 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1xsb n ALA 7 N -3.07 -2.88 -2.84 -5.12 0.00 -1.26 -4.85 120.51 100.49 1xsb n ALA 7 Ca -0.16 0.61 -0.34 0.00 0.00 0.00 0.00 53.44 53.55 1xsb n ALA 7 Cb 0.54 -1.22 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 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 -6.46 4.15 -0.08 0.00 1.02 0.29 -4.92 118.68 112.68 1xsb s LEU 8 Ca 0.00 0.29 -0.20 0.00 0.02 0.00 0.00 54.13 54.24 1xsb s LEU 8 Cb 0.00 -2.31 -0.04 0.00 0.02 0.00 0.00 46.19 43.85 1xsb s LEU 8 CO 0.00 0.31 0.56 -0.60 0.02 0.00 0.00 176.35 176.64 1xsb s ARG 9 N -1.59 4.36 0.06 1.70 3.52 -1.26 0.14 118.95 125.87 1xsb s ARG 9 Ca 0.22 0.62 0.00 0.00 -0.13 0.00 0.00 55.73 56.44 1xsb s ARG 9 Cb -0.12 -3.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.81 1xsb s ARG 9 CO 0.13 0.17 -0.05 0.00 -0.81 0.00 0.00 175.30 174.74 1xsb s ALA 10 N 0.51 0.61 -0.14 6.12 0.00 0.38 -3.54 121.76 125.70 1xsb s ALA 10 Ca 0.30 -1.13 -0.06 0.00 0.00 0.00 0.00 51.96 51.08 1xsb s ALA 10 Cb -0.16 0.20 0.07 0.00 0.00 0.00 0.00 23.12 23.22 1xsb s ALA 10 CO 0.14 -0.27 0.30 0.00 0.00 0.00 0.00 175.76 175.93 1xsb s GLY 12 N 2.18 2.81 -0.19 0.00 0.00 -1.11 -2.97 107.32 108.04 1xsb s GLY 12 Ca -0.02 -0.99 0.01 0.00 0.00 0.00 0.00 44.72 43.72 1xsb s GLY 12 CO -0.10 -2.11 -0.14 1.08 0.00 0.00 0.00 173.10 171.84 1xsb s LEU 13 N -3.78 2.29 -0.69 0.66 1.43 -1.05 -4.09 118.68 113.45 1xsb s LEU 13 Ca 0.16 -0.82 -0.25 0.00 -1.03 0.00 0.00 54.13 52.19 1xsb s LEU 13 Cb 0.04 -1.34 0.05 0.00 0.03 0.00 0.00 46.19 44.97 1xsb s LEU 13 CO 0.08 -0.09 1.13 -0.63 0.23 0.00 0.00 176.35 177.07 1xsb s ILE 14 N 1.34 4.01 0.09 -0.59 1.01 -1.00 -4.27 121.20 121.80 1xsb s ILE 14 Ca 0.01 0.15 -0.16 0.00 0.00 0.00 0.00 60.65 60.65 1xsb s ILE 14 Cb -0.15 -4.79 -0.07 0.00 0.01 0.00 0.00 42.46 37.46 1xsb s ILE 14 CO -0.10 -1.63 0.52 -0.63 0.00 0.00 0.00 174.94 173.11 1xsb s ILE 15 N 4.95 4.86 -0.06 2.92 1.01 -1.26 -0.04 121.20 133.58 1xsb s ILE 15 Ca 0.30 0.94 -0.03 0.00 0.00 0.00 0.00 60.65 61.87 1xsb s ILE 15 Cb -0.12 -3.78 0.04 0.00 0.01 0.00 0.00 42.46 38.61 1xsb s ILE 15 CO 0.14 0.42 0.11 0.72 0.00 0.00 0.00 174.94 176.33 1xsb s PHE 16 N -1.27 -0.06 -0.08 3.97 -0.71 1.46 -2.18 117.98 119.11 1xsb s PHE 16 Ca 0.32 0.42 -0.30 0.00 -1.04 0.00 0.00 56.93 56.34 1xsb s PHE 16 Cb -0.17 -0.34 -0.03 0.00 -1.21 0.00 0.00 43.02 41.27 1xsb s PHE 16 CO 0.18 -0.22 1.18 0.50 -1.34 0.00 0.00 175.22 175.52 1xsb s ARG 17 N 2.10 4.34 -0.12 1.99 6.06 0.40 -3.97 118.95 129.76 1xsb s ARG 17 Ca 0.02 1.63 -0.10 0.00 -2.50 0.00 0.00 55.73 54.78 1xsb s ARG 17 Cb -0.12 -3.58 -0.05 0.00 0.06 0.00 0.00 34.95 31.26 1xsb s ARG 17 CO -0.04 -0.47 0.21 0.50 -2.50 0.00 0.00 175.30 172.99 1xsb s ARG 18 N 2.38 3.76 0.13 5.12 3.52 -1.26 -2.64 118.95 129.96 1xsb s ARG 18 Ca 0.54 -0.02 -0.01 0.00 -0.13 0.00 0.00 55.73 56.12 1xsb s ARG 18 Cb -0.23 -3.26 -0.04 0.00 -1.56 0.00 0.00 34.95 29.85 1xsb s ARG 18 CO 0.20 0.61 0.30 0.00 -0.81 0.00 0.00 175.30 175.61 1xsb h LEU 20 N 2.60 -1.06 -7.36 0.00 3.38 -1.98 -3.46 115.31 107.42 1xsb h LEU 20 Ca -0.47 0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.67 1xsb h LEU 20 Cb 1.17 0.45 -0.09 0.00 0.09 0.00 0.00 40.66 42.28 1xsb h LEU 20 CO 0.72 -0.37 0.22 0.27 0.09 0.00 0.00 178.44 179.37 1xsb s ILE 21 N -5.98 0.00 0.66 1.22 -5.25 -1.26 -5.12 121.20 105.48 1xsb s ILE 21 Ca -0.15 -0.36 -0.17 0.00 -0.99 0.00 0.00 60.65 58.97 1xsb s ILE 21 Cb 0.10 -1.36 -0.01 0.00 2.95 0.00 0.00 42.46 44.14 1xsb s ILE 21 CO 0.66 0.00 1.22 -2.65 -1.79 0.00 0.00 174.94 172.38 1xsb n PRO 22 N -0.41 0.95 0.00 0.37 -0.02 -1.26 -4.98 135.00 129.65 1xsb n PRO 22 Ca -0.12 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1xsb n PRO 22 Cb 0.63 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1xsb n PRO 22 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1xsb n LYS 23 N -1.92 0.00 0.00 -0.52 3.00 -1.26 -4.81 118.16 112.65 1xsb n LYS 23 Ca 0.15 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.51 1xsb n LYS 23 Cb 0.48 0.00 0.24 0.00 0.00 0.00 0.00 35.03 35.76 1xsb n LYS 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1xsb n VAL 24 N -0.73 0.70 -3.56 3.15 0.31 -1.26 -4.81 118.33 112.13 1xsb n VAL 24 Ca 0.00 0.18 -0.22 0.00 -0.01 0.00 0.00 64.34 64.29 1xsb n VAL 24 Cb 0.00 -1.02 0.08 0.00 -0.91 0.00 0.00 33.84 31.99 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 -1.26 -4.65 0.00 4.52 8.00 -1.26 -4.88 116.55 117.02 1xsb n ASP 25 Ca 0.05 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 54.96 1xsb n ASP 25 Cb 0.07 -4.99 0.00 0.00 -0.02 0.00 0.00 41.12 36.18 1xsb n ASP 25 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1xsb n ASN 26 N -3.05 0.00 -4.79 -2.24 5.15 -1.26 -5.09 115.26 103.98 1xsb n ASN 26 Ca -0.10 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.52 1xsb n ASN 26 Cb 0.60 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.78 1xsb n ASN 26 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1xsb s ASN 27 N 1.00 6.18 0.01 1.20 4.22 -1.26 -4.97 114.94 121.33 1xsb s ASN 27 Ca 0.00 0.33 0.00 0.00 -2.14 0.00 0.00 52.86 51.05 1xsb s ASN 27 Cb 0.00 -2.03 0.00 0.00 1.28 0.00 0.00 41.25 40.50 1xsb s ASN 27 CO 0.00 0.31 0.00 0.00 -2.04 0.00 0.00 177.10 175.37 1xsb n ALA 28 N 2.66 3.00 -2.62 3.54 0.00 -1.26 -4.85 120.51 120.98 1xsb n ALA 28 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.92 1xsb n ALA 28 Cb 0.54 0.34 -0.11 0.00 0.00 0.00 0.00 19.45 20.22 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 -2.00 3.94 0.13 0.00 1.01 -1.26 -3.86 121.20 119.16 1xsb s ILE 29 Ca 0.00 -0.40 0.09 0.00 0.00 0.00 0.00 60.65 60.35 1xsb s ILE 29 Cb 0.00 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 1xsb s ILE 29 CO 0.00 0.60 -0.22 -1.61 0.00 0.00 0.00 174.94 173.70 1xsb s GLU 30 N -0.86 1.27 0.16 2.79 2.02 -1.08 -4.02 118.70 118.98 1xsb s GLU 30 Ca 0.13 -1.30 0.09 0.00 0.02 0.00 0.00 54.97 53.91 1xsb s GLU 30 Cb -0.11 -1.57 -0.04 0.00 0.10 0.00 0.00 34.13 32.50 1xsb s GLU 30 CO 0.02 0.36 -0.14 -0.06 0.02 0.00 0.00 175.26 175.46 1xsb s PHE 31 N -1.34 2.56 -0.06 1.61 0.08 -0.91 0.15 117.98 120.06 1xsb s PHE 31 Ca 0.12 -0.25 -0.27 0.00 0.12 0.00 0.00 56.93 56.65 1xsb s PHE 31 Cb -0.09 -1.29 -0.03 0.00 -0.57 0.00 0.00 43.02 41.05 1xsb s PHE 31 CO 0.06 0.47 0.86 -1.17 -0.10 0.00 0.00 175.22 175.35 1xsb s LEU 32 N -2.60 4.30 -0.05 -0.37 2.96 -0.93 -3.89 118.68 118.11 1xsb s LEU 32 Ca 0.22 1.40 0.03 0.00 -0.22 0.00 0.00 54.13 55.56 1xsb s LEU 32 Cb -0.09 -3.35 0.01 0.00 0.50 0.00 0.00 46.19 43.26 1xsb s LEU 32 CO 0.13 -0.26 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.03 1xsb s LEU 33 N 1.26 1.71 -0.02 -0.68 1.43 -1.19 -4.51 118.68 116.69 1xsb s LEU 33 Ca 0.44 -0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 53.28 1xsb s LEU 33 Cb -0.19 -0.74 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 1xsb s LEU 33 CO 0.21 0.06 0.07 -0.76 0.23 0.00 0.00 176.35 176.16 1xsb s LEU 34 N 0.42 3.86 -0.22 1.79 1.43 -0.96 -1.94 118.68 123.06 1xsb s LEU 34 Ca -0.09 0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 53.06 1xsb s LEU 34 Cb -0.13 -2.20 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 1xsb s LEU 34 CO 0.02 0.29 0.13 -1.58 0.23 0.00 0.00 176.35 175.44 1xsb s GLN 35 N -1.61 4.11 0.45 1.70 0.74 1.23 -2.73 119.66 123.56 1xsb s GLN 35 Ca 0.21 -0.26 -0.24 0.00 0.05 0.00 0.00 55.36 55.12 1xsb s GLN 35 Cb -0.12 -3.45 -0.07 0.00 1.10 0.00 0.00 33.01 30.47 1xsb s GLN 35 CO 0.12 0.19 1.28 0.00 -0.55 0.00 0.00 175.29 176.32 1xsb s ALA 36 N 0.67 3.07 -1.95 1.58 0.00 -1.22 0.36 121.76 124.28 1xsb s ALA 36 Ca 0.07 1.17 0.31 0.00 0.00 0.00 0.00 51.96 53.51 1xsb s ALA 36 Cb -0.12 -3.47 1.73 0.00 0.00 0.00 0.00 23.12 21.26 1xsb s ALA 36 CO 0.01 -0.90 2.14 -1.13 0.00 0.00 0.00 175.76 175.88 1xsb n SER 37 N -0.32 0.17 -2.90 0.00 3.41 -1.21 -4.30 113.62 108.48 1xsb n SER 37 Ca 0.06 -0.91 -0.13 0.00 -0.26 0.00 0.00 58.87 57.63 1xsb n SER 37 Cb 0.45 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.34 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 -0.92 -1.53 -0.02 4.04 5.68 -1.26 -4.98 116.55 117.57 1xsb n ASP 38 Ca 0.22 -2.78 0.00 0.00 -0.50 0.00 0.00 54.79 51.72 1xsb n ASP 38 Cb 0.16 2.75 0.00 0.00 -1.14 0.00 0.00 41.12 42.89 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 -0.55 -1.35 0.00 6.12 0.00 -1.26 -3.28 105.19 104.87 1xsb n GLY 39 Ca -0.01 -1.28 0.05 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.04 0.00 -3.01 -0.61 -5.35 -1.26 -4.79 119.36 104.30 1xsb n ILE 40 Ca 0.00 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.34 1xsb n ILE 40 Cb 0.00 -0.53 0.04 0.00 -1.74 0.00 0.00 39.64 37.41 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 -0.80 -1.54 -1.77 4.28 8.25 -1.21 -4.97 115.22 117.46 1xsb n HIS 41 Ca 0.08 0.51 -0.34 0.00 -0.26 0.00 0.00 57.72 57.71 1xsb n HIS 41 Cb 0.04 -3.30 0.05 0.00 1.12 0.00 0.00 29.99 27.90 1xsb n HIS 41 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1xsb s HIS 42 N -3.10 2.45 -0.10 4.41 -3.43 -1.26 -4.60 115.29 109.65 1xsb s HIS 42 Ca 0.29 1.56 -0.03 0.00 -0.80 0.00 0.00 55.06 56.08 1xsb s HIS 42 Cb -0.13 -3.30 -0.03 0.00 -1.43 0.00 0.00 32.58 27.69 1xsb s HIS 42 CO 0.36 -1.97 0.03 -1.58 -2.00 0.00 0.00 174.74 169.58 1xsb s TRP 43 N -2.09 3.23 0.07 0.38 0.52 -1.24 -3.39 118.94 116.41 1xsb s TRP 43 Ca 0.71 0.20 -0.21 0.00 0.02 0.00 0.00 56.10 56.82 1xsb s TRP 43 Cb -0.24 -1.85 0.05 0.00 -1.15 0.00 0.00 33.47 30.28 1xsb s TRP 43 CO 0.39 0.45 0.49 0.95 0.02 0.00 0.00 176.95 179.25 1xsb s THR 44 N -0.71 0.04 0.81 2.01 -4.23 -1.10 -4.35 115.64 108.11 1xsb s THR 44 Ca 0.11 -0.32 -0.11 0.00 -1.18 0.00 0.00 61.69 60.20 1xsb s THR 44 Cb -0.12 -1.00 0.08 0.00 1.34 0.00 0.00 72.50 72.80 1xsb s THR 44 CO 0.02 -0.17 1.09 -2.16 -0.54 0.00 0.00 174.62 172.86 1xsb s PRO 45 N -2.75 1.92 -0.66 3.99 0.04 -1.26 -2.28 135.00 134.01 1xsb s PRO 45 Ca -0.04 1.01 -0.32 0.00 0.04 0.00 0.00 61.00 61.69 1xsb s PRO 45 Cb -0.00 -1.87 -0.15 0.00 0.04 0.00 0.00 34.50 32.52 1xsb s PRO 45 CO -0.04 -1.83 2.45 -2.30 0.04 0.00 0.00 177.00 175.31 1xsb n PRO 46 N -3.63 0.54 -4.10 0.56 -0.02 -1.26 -4.78 135.00 122.31 1xsb n PRO 46 Ca 0.08 0.07 -0.35 0.00 -2.02 0.00 0.00 63.50 61.28 1xsb n PRO 46 Cb 0.54 -2.26 -0.07 0.00 -0.02 0.00 0.00 33.50 31.69 1xsb n PRO 46 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1xsb s LYS 47 N 7.84 3.21 0.32 -0.52 1.02 -1.26 -2.53 119.74 127.82 1xsb s LYS 47 Ca 1.18 -0.30 -0.05 0.00 0.02 0.00 0.00 55.97 56.82 1xsb s LYS 47 Cb -0.89 -2.98 0.00 0.00 -0.52 0.00 0.00 37.83 33.43 1xsb s LYS 47 CO 0.44 0.73 0.47 0.20 -0.92 0.00 0.00 175.35 176.27 1xsb s GLY 48 N -1.12 1.25 -0.08 -3.33 0.00 -1.16 -4.98 107.32 97.90 1xsb s GLY 48 Ca 0.16 -1.37 -0.01 0.00 0.00 0.00 0.00 44.72 43.50 1xsb s GLY 48 CO 0.05 -0.92 -0.03 0.30 0.00 0.00 0.00 173.10 172.50 1xsb s HIS 49 N -3.29 3.06 -0.00 1.90 3.76 -1.26 -2.25 115.29 117.20 1xsb s HIS 49 Ca 0.29 0.10 -0.16 0.00 -0.15 0.00 0.00 55.06 55.13 1xsb s HIS 49 Cb -0.00 -1.76 -0.06 0.00 1.11 0.00 0.00 32.58 31.87 1xsb s HIS 49 CO 0.17 0.39 0.46 0.54 -0.85 0.00 0.00 174.74 175.45 1xsb s VAL 50 N -0.79 4.99 0.39 -0.90 0.11 -1.23 -4.88 120.40 118.09 1xsb s VAL 50 Ca 0.12 0.95 -0.07 0.00 -2.93 0.00 0.00 61.98 60.06 1xsb s VAL 50 Cb -0.11 -3.78 0.10 0.00 -1.53 0.00 0.00 36.38 31.06 1xsb s VAL 50 CO 0.02 0.53 0.41 1.21 -3.33 0.00 0.00 175.10 173.93 1xsb n GLU 51 N 2.14 -1.30 0.00 1.54 2.13 -1.26 -4.91 120.64 118.97 1xsb n GLU 51 Ca -0.12 -0.64 0.00 0.00 0.66 0.00 0.00 57.16 57.06 1xsb n GLU 51 Cb 0.52 -0.53 0.00 0.00 0.27 0.00 0.00 31.44 31.69 1xsb n GLU 51 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1xsb n PRO 52 N -2.42 0.00 0.00 5.31 -0.04 -1.26 -3.74 135.00 132.85 1xsb n PRO 52 Ca 0.05 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 1xsb n PRO 52 Cb 0.20 -0.96 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 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 1.47 -0.51 3.84 0.55 0.00 -1.26 -4.77 105.19 104.52 1xsb n GLY 53 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1xsb n GLY 53 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsb s GLU 54 N -1.89 4.07 0.78 1.61 2.12 -1.25 -5.05 118.70 119.10 1xsb s GLU 54 Ca 0.00 0.76 -0.11 0.00 0.36 0.00 0.00 54.97 55.98 1xsb s GLU 54 Cb 0.00 -2.47 0.06 0.00 0.26 0.00 0.00 34.13 31.98 1xsb s GLU 54 CO 0.00 0.17 1.08 0.34 -0.54 0.00 0.00 175.26 176.31 1xsb s ASP 55 N -2.16 4.57 -0.11 -1.70 2.15 -1.26 -4.74 116.67 113.42 1xsb s ASP 55 Ca 0.53 1.51 -0.27 0.00 0.43 0.00 0.00 52.55 54.75 1xsb s ASP 55 Cb -0.11 -2.27 -0.24 0.00 -0.30 0.00 0.00 42.92 40.00 1xsb s ASP 55 CO 0.17 -1.95 0.88 0.44 -0.17 0.00 0.00 175.17 174.55 1xsb h ASP 56 N -1.07 -0.01 -0.29 -0.34 3.45 -1.96 -3.01 116.42 113.20 1xsb h ASP 56 Ca -0.46 -0.83 -0.08 0.00 0.43 0.00 0.00 57.03 56.08 1xsb h ASP 56 Cb 1.25 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.01 1xsb h ASP 56 CO 0.56 0.84 -0.15 0.25 -1.57 0.00 0.00 179.24 179.18 1xsb h LEU 57 N -0.87 0.63 -1.01 1.55 5.85 -1.96 -2.94 115.31 116.56 1xsb h LEU 57 Ca -0.00 -0.41 0.13 0.00 0.84 0.00 0.00 57.88 58.44 1xsb h LEU 57 Cb 0.84 -0.17 -0.09 0.00 0.37 0.00 0.00 40.66 41.61 1xsb h LEU 57 CO 0.00 0.91 0.63 -0.33 -0.34 0.00 0.00 178.44 179.31 1xsb h GLU 58 N 0.36 0.94 -0.77 1.25 3.07 -1.97 0.36 114.58 117.82 1xsb h GLU 58 Ca 0.06 -0.06 0.03 0.00 -0.50 0.00 0.00 59.36 58.90 1xsb h GLU 58 Cb 0.67 -0.21 -0.05 0.00 -0.84 0.00 0.00 28.75 28.32 1xsb h GLU 58 CO 0.04 0.62 0.49 1.15 -1.40 0.00 0.00 179.01 179.92 1xsb h THR 59 N 0.97 1.11 -0.59 1.13 2.02 -1.37 0.77 112.91 116.95 1xsb h THR 59 Ca 0.51 -0.33 -0.09 0.00 0.77 0.00 0.00 66.41 67.28 1xsb h THR 59 Cb 0.54 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1xsb h THR 59 CO -0.28 0.17 0.03 0.00 0.37 0.00 0.00 175.52 175.81 1xsb h ALA 60 N 1.33 0.93 0.29 6.16 0.00 -0.47 0.04 119.26 127.53 1xsb h ALA 60 Ca 0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1xsb h ALA 60 Cb 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1xsb h ALA 60 CO -0.11 0.65 -0.14 -0.07 0.00 0.00 0.00 179.25 179.58 1xsb h LEU 61 N 0.94 -0.33 -0.84 0.00 3.38 0.14 0.46 115.31 119.06 1xsb h LEU 61 Ca 0.18 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1xsb h LEU 61 Cb 0.50 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.28 1xsb h LEU 61 CO 0.02 -0.11 0.52 -0.09 0.09 0.00 0.00 178.44 178.88 1xsb h ARG 62 N -0.54 0.95 -0.17 1.13 2.43 0.60 -1.82 114.38 116.96 1xsb h ARG 62 Ca -0.04 -0.06 -0.16 0.00 -0.81 0.00 0.00 59.98 58.92 1xsb h ARG 62 Cb 0.40 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1xsb h ARG 62 CO 0.06 0.63 -0.54 0.00 -1.51 0.00 0.00 179.97 178.61 1xsb h ALA 63 N 1.38 0.73 -0.39 2.80 0.00 -0.75 -0.95 119.26 122.07 1xsb h ALA 63 Ca 0.35 -0.51 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1xsb h ALA 63 Cb 0.11 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1xsb h ALA 63 CO -0.15 0.69 0.16 1.15 0.00 0.00 0.00 179.25 181.10 1xsb h THR 64 N 0.40 0.93 0.14 0.00 2.02 0.76 0.15 112.91 117.30 1xsb h THR 64 Ca 0.01 -0.12 -0.29 0.00 0.77 0.00 0.00 66.41 66.79 1xsb h THR 64 Cb 1.08 0.56 0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1xsb h THR 64 CO 0.10 0.06 -1.26 -0.61 0.37 0.00 0.00 175.52 174.19 1xsb h GLN 65 N 0.34 0.39 -0.63 6.66 5.75 0.22 0.06 115.11 127.90 1xsb h GLN 65 Ca 0.17 -0.61 -0.09 0.00 -0.15 0.00 0.00 58.65 57.97 1xsb h GLN 65 Cb 0.12 0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.86 1xsb h GLN 65 CO -0.15 1.27 0.04 0.93 -2.65 0.00 0.00 178.83 178.27 1xsb h GLU 66 N 0.13 1.10 -0.14 1.69 4.39 -0.94 1.64 114.58 122.46 1xsb h GLU 66 Ca -0.16 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1xsb h GLU 66 Cb 1.96 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.50 1xsb h GLU 66 CO 0.22 1.04 0.00 0.39 -1.16 0.00 0.00 179.01 179.50 1xsb n GLU 67 N -4.19 2.21 0.00 2.33 -0.58 0.49 -4.56 120.64 116.34 1xsb n GLU 67 Ca 0.03 -1.96 0.00 0.00 -0.42 0.00 0.00 57.16 54.82 1xsb n GLU 67 Cb 0.33 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 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 1.30 0.49 -0.19 0.62 0.00 -0.02 -4.28 120.51 118.43 1xsb n ALA 68 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1xsb n ALA 68 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 0.93 3.61 0.00 0.00 0.56 0.55 105.19 111.04 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 -2.57 4.73 0.43 -0.61 1.01 -1.19 -4.76 121.20 118.24 1xsb s ILE 70 Ca 0.00 -0.05 0.06 0.00 0.00 0.00 0.00 60.65 60.66 1xsb s ILE 70 Cb 0.00 -3.15 -0.06 0.00 0.01 0.00 0.00 42.46 39.26 1xsb s ILE 70 CO 0.00 0.44 0.06 -0.70 0.00 0.00 0.00 174.94 174.73 1xsb s GLU 71 N 0.59 2.06 0.42 2.79 2.12 -1.26 0.21 118.70 125.63 1xsb s GLU 71 Ca 0.03 -2.09 0.18 0.00 0.36 0.00 0.00 54.97 53.46 1xsb s GLU 71 Cb -0.13 -1.72 1.09 0.00 0.26 0.00 0.00 34.13 33.64 1xsb s GLU 71 CO 0.01 -0.12 1.86 0.00 -0.54 0.00 0.00 175.26 176.47 1xsb h ALA 72 N 1.61 2.22 0.00 6.30 0.00 -1.86 2.83 119.26 130.36 1xsb h ALA 72 Ca -0.44 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1xsb h ALA 72 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1xsb h ALA 72 CO 0.77 -0.50 0.00 0.41 0.00 0.00 0.00 179.25 179.93 1xsb n GLY 73 N -1.52 -1.05 0.00 0.00 0.00 -1.26 -1.77 105.19 99.59 1xsb n GLY 73 Ca 0.19 0.11 0.05 0.00 0.00 0.00 0.00 46.02 46.37 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 -2.13 2.86 -2.53 1.61 6.02 0.92 -5.00 117.38 119.14 1xsb n GLN 74 Ca 0.01 -0.02 -0.06 0.00 -0.01 0.00 0.00 57.00 56.93 1xsb n GLN 74 Cb 0.14 -1.06 -0.02 0.00 1.02 0.00 0.00 30.24 30.32 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 -1.36 0.00 -3.76 1.08 -0.00 0.39 -0.68 117.00 112.67 1xsb n LEU 75 Ca 0.01 -0.68 -0.28 0.00 -0.00 0.00 0.00 56.01 55.06 1xsb n LEU 75 Cb 0.19 0.21 -0.16 0.00 -0.00 0.00 0.00 43.42 43.66 1xsb n LEU 75 CO 0.23 -0.10 -0.37 -0.89 -0.00 0.00 0.00 177.39 176.26 1xsb s THR 76 N -1.81 0.72 0.06 1.47 2.01 0.10 -4.77 115.64 113.43 1xsb s THR 76 Ca 0.04 -0.80 -0.30 0.00 0.31 0.00 0.00 61.69 60.93 1xsb s THR 76 Cb 0.00 -1.25 -0.05 0.00 0.01 0.00 0.00 72.50 71.21 1xsb s THR 76 CO 0.03 -0.28 1.14 -0.63 -0.69 0.00 0.00 174.62 174.19 1xsb s ILE 77 N 1.75 4.20 0.12 1.82 -1.09 -1.26 -1.57 121.20 125.17 1xsb s ILE 77 Ca 0.00 1.60 -0.20 0.00 -2.23 0.00 0.00 60.65 59.82 1xsb s ILE 77 Cb -0.17 -4.02 -0.07 0.00 -1.58 0.00 0.00 42.46 36.61 1xsb s ILE 77 CO -0.11 0.13 0.63 -0.63 -1.23 0.00 0.00 174.94 173.73 1xsb s ILE 78 N 0.96 4.66 0.10 2.92 1.09 0.21 -4.97 121.20 126.17 1xsb s ILE 78 Ca 0.57 1.28 0.03 0.00 -1.10 0.00 0.00 60.65 61.42 1xsb s ILE 78 Cb -0.28 -3.92 -0.04 0.00 -1.06 0.00 0.00 42.46 37.16 1xsb s ILE 78 CO 0.29 0.47 0.15 -1.61 -0.10 0.00 0.00 174.94 174.14 1xsb s GLU 79 N -1.32 3.08 0.00 2.79 2.02 -1.26 -4.44 118.70 119.57 1xsb s GLU 79 Ca 0.33 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.66 1xsb s GLU 79 Cb -0.19 -2.81 0.00 0.00 0.10 0.00 0.00 34.13 31.23 1xsb s GLU 79 CO 0.21 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.45 1xsb n GLY 80 N 0.10 3.03 3.45 -1.39 0.00 -1.26 -5.04 105.19 104.08 1xsb n GLY 80 Ca -0.07 0.00 -0.33 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 -2.74 2.93 -0.18 1.61 2.19 -1.26 -5.09 117.98 115.44 1xsb s PHE 81 Ca 0.00 -0.42 -0.23 0.00 0.33 0.00 0.00 56.93 56.61 1xsb s PHE 81 Cb 0.00 -1.90 0.06 0.00 -1.31 0.00 0.00 43.02 39.87 1xsb s PHE 81 CO 0.00 -0.08 0.62 0.21 1.83 0.00 0.00 175.22 177.79 1xsb s LYS 82 N 0.29 0.80 -0.28 10.12 2.20 -1.26 -4.64 119.74 126.96 1xsb s LYS 82 Ca -0.06 0.65 -0.22 0.00 -0.36 0.00 0.00 55.97 55.98 1xsb s LYS 82 Cb -0.15 0.39 0.12 0.00 -1.51 0.00 0.00 37.83 36.68 1xsb s LYS 82 CO 0.04 -0.15 0.99 0.50 -0.36 0.00 0.00 175.35 176.37 1xsb s ARG 83 N -0.14 0.49 -0.08 4.03 6.06 -1.24 -5.03 118.95 123.04 1xsb s ARG 83 Ca -0.04 0.66 0.04 0.00 -2.50 0.00 0.00 55.73 53.89 1xsb s ARG 83 Cb -0.03 0.20 -0.01 0.00 0.06 0.00 0.00 34.95 35.16 1xsb s ARG 83 CO 0.03 -0.07 -0.19 -1.83 -2.50 0.00 0.00 175.30 170.74 1xsb s GLU 84 N 0.60 2.78 -0.35 5.12 1.03 -1.24 -1.18 118.70 125.47 1xsb s GLU 84 Ca -0.01 -0.80 -0.17 0.00 0.03 0.00 0.00 54.97 54.02 1xsb s GLU 84 Cb -0.05 -2.34 -0.01 0.00 -0.80 0.00 0.00 34.13 30.94 1xsb s GLU 84 CO -0.09 0.38 0.46 -0.51 -1.33 0.00 0.00 175.26 174.17 1xsb s LEU 85 N -0.14 4.39 -0.20 1.83 1.43 0.40 -4.71 118.68 121.68 1xsb s LEU 85 Ca -0.03 -0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 52.94 1xsb s LEU 85 Cb -0.14 -2.49 -0.00 0.00 0.03 0.00 0.00 46.19 43.59 1xsb s LEU 85 CO 0.04 -0.43 -0.09 0.20 0.23 0.00 0.00 176.35 176.29 1xsb s ASN 86 N 1.75 3.94 0.06 2.29 0.02 -1.26 -1.36 114.94 120.38 1xsb s ASN 86 Ca 0.16 -0.46 -0.20 0.00 -1.02 0.00 0.00 52.86 51.34 1xsb s ASN 86 Cb -0.16 -1.65 0.05 0.00 0.02 0.00 0.00 41.25 39.50 1xsb s ASN 86 CO 0.13 0.00 0.47 -0.72 0.02 0.00 0.00 177.10 177.00 1xsb s TYR 87 N 1.33 -0.35 -0.39 2.20 -0.85 -1.22 -4.92 117.35 113.14 1xsb s TYR 87 Ca 0.04 0.31 -0.07 0.00 -0.52 0.00 0.00 57.07 56.83 1xsb s TYR 87 Cb -0.14 0.30 0.07 0.00 0.38 0.00 0.00 41.96 42.57 1xsb s TYR 87 CO -0.05 -0.64 0.20 0.54 -1.52 0.00 0.00 175.55 174.09 1xsb s VAL 88 N -2.69 3.94 0.00 -3.49 0.11 -1.26 -2.37 120.40 114.64 1xsb s VAL 88 Ca -0.04 -1.43 0.00 0.00 -2.93 0.00 0.00 61.98 57.58 1xsb s VAL 88 Cb -0.00 -3.40 0.00 0.00 -1.53 0.00 0.00 36.38 31.44 1xsb s VAL 88 CO -0.04 -0.44 0.01 0.00 -3.33 0.00 0.00 175.10 171.30 1xsb n ALA 89 N 4.83 0.00 0.22 1.54 0.00 -1.25 -4.60 120.51 121.24 1xsb n ALA 89 Ca -0.10 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.19 1xsb n ALA 89 Cb 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.49 0.00 0.00 2.43 -2.05 -3.44 114.38 110.83 1xsb h ARG 90 Ca 0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1xsb h ARG 90 Cb 0.00 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1xsb h ARG 90 CO 0.00 -0.32 0.00 -1.71 -1.51 0.00 0.00 179.97 176.43 1xsb n ASN 91 N -5.32 0.00 -3.70 -3.80 5.15 -1.26 -5.13 115.26 101.20 1xsb n ASN 91 Ca -0.10 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.74 1xsb n ASN 91 Cb 0.23 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.34 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 0.13 -0.08 1.20 2.47 -1.26 -5.08 119.74 117.12 1xsb s LYS 92 Ca 0.00 0.57 -0.30 0.00 -1.56 0.00 0.00 55.97 54.69 1xsb s LYS 92 Cb 0.00 -0.14 -0.02 0.00 -1.46 0.00 0.00 37.83 36.21 1xsb s LYS 92 CO 0.00 -0.23 1.00 -1.25 0.16 0.00 0.00 175.35 175.03 1xsb s PRO 93 N 1.81 4.46 -0.13 4.03 0.04 -1.26 -3.93 135.00 140.02 1xsb s PRO 93 Ca -0.04 1.41 0.03 0.00 0.04 0.00 0.00 61.00 62.44 1xsb s PRO 93 Cb -0.11 -3.52 0.01 0.00 0.04 0.00 0.00 34.50 30.92 1xsb s PRO 93 CO -0.07 -0.25 -0.21 0.15 0.04 0.00 0.00 177.00 176.65 1xsb s LYS 94 N 1.75 2.91 -0.01 4.56 1.02 -1.00 0.11 119.74 129.07 1xsb s LYS 94 Ca 0.49 -0.82 -0.30 0.00 0.02 0.00 0.00 55.97 55.37 1xsb s LYS 94 Cb -0.19 -2.34 -0.03 0.00 -0.52 0.00 0.00 37.83 34.75 1xsb s LYS 94 CO 0.21 0.01 0.99 0.99 -0.92 0.00 0.00 175.35 176.62 1xsb s THR 95 N 0.77 4.85 -0.15 2.17 2.01 0.37 -3.45 115.64 122.22 1xsb s THR 95 Ca -0.09 2.05 0.02 0.00 0.31 0.00 0.00 61.69 63.98 1xsb s THR 95 Cb -0.16 -4.32 0.02 0.00 0.01 0.00 0.00 72.50 68.05 1xsb s THR 95 CO -0.00 0.14 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.19 1xsb s VAL 96 N 1.11 1.91 -0.22 3.82 1.01 -0.47 0.14 120.40 127.72 1xsb s VAL 96 Ca 0.52 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 61.54 1xsb s VAL 96 Cb -0.21 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1xsb s VAL 96 CO 0.27 0.52 0.09 -0.63 0.00 0.00 0.00 175.10 175.35 1xsb s ILE 97 N 1.08 4.77 -0.08 2.22 -1.09 -0.95 0.15 121.20 127.31 1xsb s ILE 97 Ca -0.02 -0.03 0.02 0.00 -2.23 0.00 0.00 60.65 58.40 1xsb s ILE 97 Cb -0.14 -3.19 -0.02 0.00 -1.58 0.00 0.00 42.46 37.52 1xsb s ILE 97 CO -0.06 0.39 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.59 1xsb s TYR 98 N 0.92 2.74 -0.02 3.97 2.02 -0.32 -2.75 117.35 123.90 1xsb s TYR 98 Ca 0.05 -0.31 0.07 0.00 -0.37 0.00 0.00 57.07 56.50 1xsb s TYR 98 Cb -0.14 -1.70 -0.02 0.00 -0.40 0.00 0.00 41.96 39.70 1xsb s TYR 98 CO 0.03 0.06 -0.22 -1.58 -1.57 0.00 0.00 175.55 172.27 1xsb s TRP 99 N -0.38 2.45 0.10 2.71 0.51 -1.26 -3.72 118.94 119.35 1xsb s TRP 99 Ca 0.04 -0.34 -0.30 0.00 -2.12 0.00 0.00 56.10 53.37 1xsb s TRP 99 Cb -0.12 -1.53 -0.06 0.00 -0.81 0.00 0.00 33.47 30.94 1xsb s TRP 99 CO 0.02 0.05 1.18 -0.51 -0.51 0.00 0.00 176.95 177.17 1xsb s LEU 100 N -0.70 4.41 0.08 2.99 1.43 -1.26 -2.37 118.68 123.26 1xsb s LEU 100 Ca 0.11 2.06 0.04 0.00 -1.03 0.00 0.00 54.13 55.31 1xsb s LEU 100 Cb -0.10 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 1xsb s LEU 100 CO -0.00 -0.40 -0.12 0.00 0.23 0.00 0.00 176.35 176.06 1xsb s ALA 101 N 0.62 1.10 -0.13 4.21 0.00 0.94 0.66 121.76 129.16 1xsb s ALA 101 Ca 0.56 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 51.47 1xsb s ALA 101 Cb -0.30 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 22.81 1xsb s ALA 101 CO 0.31 0.06 -0.13 -2.00 0.00 0.00 0.00 175.76 174.01 1xsb s GLU 102 N -2.16 2.08 0.03 0.00 2.12 -0.61 0.43 118.70 120.59 1xsb s GLU 102 Ca 0.00 -0.48 -0.30 0.00 0.36 0.00 0.00 54.97 54.55 1xsb s GLU 102 Cb -0.07 -1.90 -0.04 0.00 0.26 0.00 0.00 34.13 32.37 1xsb s GLU 102 CO 0.01 -0.19 1.10 0.14 -0.54 0.00 0.00 175.26 175.79 1xsb s VAL 103 N 1.37 4.41 0.23 3.70 -7.23 -1.26 0.03 120.40 121.65 1xsb s VAL 103 Ca 0.01 1.73 -0.07 0.00 -1.81 0.00 0.00 61.98 61.84 1xsb s VAL 103 Cb -0.13 -4.11 0.18 0.00 0.56 0.00 0.00 36.38 32.88 1xsb s VAL 103 CO -0.07 0.13 1.81 0.11 -0.31 0.00 0.00 175.10 176.77 1xsb h LYS 104 N 6.82 0.74 -5.82 4.82 1.57 -1.22 -3.42 116.57 120.06 1xsb h LYS 104 Ca -0.41 -0.04 -0.64 0.00 -1.87 0.00 0.00 60.65 57.68 1xsb h LYS 104 Cb 1.21 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 33.30 1xsb h LYS 104 CO 0.79 0.49 -0.37 0.34 -0.57 0.00 0.00 179.45 180.13 1xsb s ASP 105 N -5.62 6.55 0.12 0.86 3.68 -1.26 -4.98 116.67 116.02 1xsb s ASP 105 Ca -0.13 0.66 -0.13 0.00 2.13 0.00 0.00 52.55 55.07 1xsb s ASP 105 Cb 0.18 -2.14 -0.06 0.00 -1.45 0.00 0.00 42.92 39.45 1xsb s ASP 105 CO 0.77 0.35 1.46 0.22 0.13 0.00 0.00 175.17 178.10 1xsb h TYR 106 N 4.69 0.93 -0.57 -5.34 3.20 -2.01 -2.52 116.97 115.34 1xsb h TYR 106 Ca -0.53 -0.26 -0.10 0.00 3.14 0.00 0.00 58.73 60.98 1xsb h TYR 106 Cb 1.22 -0.20 -0.06 0.00 1.54 0.00 0.00 36.73 39.23 1xsb h TYR 106 CO 0.73 1.02 0.13 -0.25 -1.64 0.00 0.00 178.16 178.15 1xsb n ASP 107 N -4.23 4.70 -4.26 -2.11 8.00 -1.26 -4.98 116.55 112.40 1xsb n ASP 107 Ca -0.03 -2.92 -0.39 0.00 0.71 0.00 0.00 54.79 52.17 1xsb n ASP 107 Cb 0.46 -0.69 0.01 0.00 -0.02 0.00 0.00 41.12 40.89 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 0.20 0.24 -2.37 2.53 3.14 -0.95 -4.80 118.33 116.32 1xsb n VAL 108 Ca 0.30 -0.50 -0.36 0.00 -2.96 0.00 0.00 64.34 60.82 1xsb n VAL 108 Cb 1.16 -0.08 -0.02 0.00 -1.06 0.00 0.00 33.84 33.84 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 -1.17 3.79 -0.19 1.45 -1.05 -1.26 -5.02 118.70 115.25 1xsb s GLU 109 Ca 0.58 1.62 0.01 0.00 -0.15 0.00 0.00 54.97 57.03 1xsb s GLU 109 Cb -0.48 -2.32 0.03 0.00 -0.44 0.00 0.00 34.13 30.92 1xsb s GLU 109 CO 0.65 -0.49 -0.15 0.42 0.95 0.00 0.00 175.26 176.65 1xsb s ILE 110 N -1.68 1.89 -0.35 1.83 -1.09 -1.25 -4.41 121.20 116.15 1xsb s ILE 110 Ca 0.64 -1.02 -0.07 0.00 -2.23 0.00 0.00 60.65 57.98 1xsb s ILE 110 Cb -0.24 -1.83 0.04 0.00 -1.58 0.00 0.00 42.46 38.85 1xsb s ILE 110 CO 0.29 0.34 0.12 -0.13 -1.23 0.00 0.00 174.94 174.34 1xsb s ARG 111 N 1.32 2.63 -0.02 2.79 0.52 2.19 -4.87 118.95 123.50 1xsb s ARG 111 Ca 0.01 -1.19 -0.03 0.00 -0.52 0.00 0.00 55.73 54.00 1xsb s ARG 111 Cb -0.15 -3.50 -0.04 0.00 0.52 0.00 0.00 34.95 31.78 1xsb s ARG 111 CO -0.10 -0.69 0.15 -0.51 0.02 0.00 0.00 175.30 174.17 1xsb s LEU 112 N 1.41 4.25 0.39 2.53 1.43 -1.26 -0.85 118.68 126.58 1xsb s LEU 112 Ca -0.01 0.31 0.08 0.00 -1.03 0.00 0.00 54.13 53.48 1xsb s LEU 112 Cb -0.20 -2.47 -0.02 0.00 0.03 0.00 0.00 46.19 43.53 1xsb s LEU 112 CO 0.03 0.28 0.34 -0.94 0.23 0.00 0.00 176.35 176.29 1xsb s SER 113 N -1.79 5.11 0.57 2.29 1.04 -1.26 -4.89 113.70 114.77 1xsb s SER 113 Ca 0.25 -0.67 0.39 0.00 0.48 0.00 0.00 55.95 56.40 1xsb s SER 113 Cb -0.12 -0.70 1.49 0.00 0.10 0.00 0.00 66.02 66.79 1xsb s SER 113 CO 0.16 -0.55 1.63 0.45 0.98 0.00 0.00 173.24 175.91 1xsb h HIS 114 N 1.11 0.00 -0.17 5.02 3.86 -1.99 2.14 115.15 125.12 1xsb h HIS 114 Ca -0.42 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.76 1xsb h HIS 114 Cb 1.26 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.72 1xsb h HIS 114 CO 0.52 0.00 0.01 1.49 0.86 0.00 0.00 177.93 180.82 1xsb h GLU 115 N 0.00 0.24 -5.44 2.45 4.81 -1.95 -3.39 114.58 111.30 1xsb h GLU 115 Ca 0.65 -0.03 -0.67 0.00 -0.13 0.00 0.00 59.36 59.18 1xsb h GLU 115 Cb 2.82 -0.05 -0.33 0.00 0.63 0.00 0.00 28.75 31.83 1xsb h GLU 115 CO -0.01 0.26 -0.87 -1.01 -0.73 0.00 0.00 179.01 176.64 1xsb s HIS 116 N -5.03 2.41 -0.09 0.92 3.76 0.72 -3.32 115.29 114.66 1xsb s HIS 116 Ca -0.06 -0.91 0.05 0.00 -0.15 0.00 0.00 55.06 53.99 1xsb s HIS 116 Cb 0.16 -1.61 -0.24 0.00 1.11 0.00 0.00 32.58 32.00 1xsb s HIS 116 CO 0.71 -0.35 0.48 0.94 -0.85 0.00 0.00 174.74 175.68 1xsb n GLN 117 N 3.39 0.69 -3.56 1.40 7.27 1.13 -3.99 117.38 123.71 1xsb n GLN 117 Ca -0.19 0.26 -0.09 0.00 0.07 0.00 0.00 57.00 57.05 1xsb n GLN 117 Cb 0.53 -1.74 -0.02 0.00 2.41 0.00 0.00 30.24 31.42 1xsb n GLN 117 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xsb s ALA 118 N -2.57 -1.62 0.09 1.69 0.00 -1.17 -4.93 121.76 113.25 1xsb s ALA 118 Ca -0.13 0.48 0.04 0.00 0.00 0.00 0.00 51.96 52.35 1xsb s ALA 118 Cb 0.07 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.87 1xsb s ALA 118 CO 0.80 -0.82 -0.12 1.52 0.00 0.00 0.00 175.76 177.14 1xsb s TYR 119 N -3.52 1.14 0.07 0.00 1.13 -1.26 0.38 117.35 115.29 1xsb s TYR 119 Ca 0.05 -0.57 0.03 0.00 -1.41 0.00 0.00 57.07 55.17 1xsb s TYR 119 Cb -0.02 -0.62 -0.03 0.00 -1.10 0.00 0.00 41.96 40.19 1xsb s TYR 119 CO -0.07 0.04 -0.10 1.03 -2.51 0.00 0.00 175.55 173.94 1xsb s ARG 120 N -2.38 0.71 -0.36 -3.49 0.52 -0.82 -4.98 118.95 108.15 1xsb s ARG 120 Ca 0.03 -0.97 -0.07 0.00 -0.52 0.00 0.00 55.73 54.20 1xsb s ARG 120 Cb -0.06 -0.47 0.06 0.00 0.52 0.00 0.00 34.95 35.00 1xsb s ARG 120 CO 0.01 0.08 0.15 -1.58 0.02 0.00 0.00 175.30 173.99 1xsb s TRP 121 N -1.88 3.31 0.39 -0.53 0.52 -1.26 -3.16 118.94 116.33 1xsb s TRP 121 Ca -0.02 -1.54 0.04 0.00 0.02 0.00 0.00 56.10 54.60 1xsb s TRP 121 Cb -0.06 -2.53 -0.04 0.00 -1.15 0.00 0.00 33.47 29.68 1xsb s TRP 121 CO 0.00 -0.78 0.08 -0.51 0.02 0.00 0.00 176.95 175.76 1xsb s LEU 122 N 1.38 2.16 0.00 2.99 1.02 -1.25 -4.95 118.68 120.02 1xsb s LEU 122 Ca 0.00 -1.55 -0.07 0.00 0.02 0.00 0.00 54.13 52.54 1xsb s LEU 122 Cb -0.21 -0.35 0.11 0.00 0.02 0.00 0.00 46.19 45.77 1xsb s LEU 122 CO 0.02 -0.77 0.66 0.61 0.02 0.00 0.00 176.35 176.89 1xsb n GLY 123 N -0.88 -0.80 0.30 -3.19 0.00 -1.26 -2.15 105.19 97.21 1xsb n GLY 123 Ca -0.06 -1.77 -0.03 0.00 0.00 0.00 0.00 46.02 44.15 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 0.86 0.54 0.99 5.85 -1.96 0.14 115.31 121.73 1xsb h LEU 124 Ca -0.21 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 1xsb h LEU 124 Cb 0.63 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.47 1xsb h LEU 124 CO 0.17 0.61 -0.26 1.05 -0.34 0.00 0.00 178.44 179.67 1xsb h GLU 125 N 1.02 -0.69 -0.45 1.25 4.11 -1.95 0.52 114.58 118.39 1xsb h GLU 125 Ca 0.31 0.05 -0.08 0.00 0.07 0.00 0.00 59.36 59.70 1xsb h GLU 125 Cb -0.04 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1xsb h GLU 125 CO -0.09 -0.46 -0.05 0.93 0.07 0.00 0.00 179.01 179.41 1xsb h GLU 126 N -0.73 0.82 -0.11 1.06 3.07 -1.90 1.66 114.58 118.44 1xsb h GLU 126 Ca -0.07 -0.29 0.03 0.00 -0.50 0.00 0.00 59.36 58.53 1xsb h GLU 126 Cb 0.56 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1xsb h GLU 126 CO 0.12 0.91 0.11 0.00 -1.40 0.00 0.00 179.01 178.75 1xsb h ALA 127 N 0.89 1.82 0.13 3.43 0.00 -0.58 0.58 119.26 125.53 1xsb h ALA 127 Ca 0.12 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.78 1xsb h ALA 127 Cb 0.57 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1xsb h ALA 127 CO 0.03 -0.17 -1.22 0.00 0.00 0.00 0.00 179.25 177.90 1xsb h GLN 129 N -0.30 -0.02 -0.47 0.00 -0.00 0.42 -2.51 115.11 112.22 1xsb h GLN 129 Ca -0.25 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.34 1xsb h GLN 129 Cb 1.74 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 29.21 1xsb h GLN 129 CO 0.10 -0.01 0.03 -0.07 -0.00 0.00 0.00 178.83 178.87 1xsb h LEU 130 N -0.02 0.79 -4.53 0.06 3.38 -0.08 -2.99 115.31 111.92 1xsb h LEU 130 Ca 0.01 -0.29 -0.38 0.00 0.09 0.00 0.00 57.88 57.31 1xsb h LEU 130 Cb 0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1xsb h LEU 130 CO -0.03 0.89 1.52 0.00 0.09 0.00 0.00 178.44 180.91 1xsb n ALA 131 N -2.42 6.52 -0.40 1.53 0.00 -0.60 -3.73 120.51 121.42 1xsb n ALA 131 Ca 0.00 -2.43 0.35 0.00 0.00 0.00 0.00 53.44 51.36 1xsb n ALA 131 Cb 0.29 -2.78 0.59 0.00 0.00 0.00 0.00 19.45 17.55 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 3.06 -0.03 -1.68 0.00 0.00 -1.13 -3.65 117.38 113.95 1xsb n GLN 132 Ca 0.55 1.12 -0.47 0.00 0.00 0.00 0.00 57.00 58.20 1xsb n GLN 132 Cb 0.56 -2.19 -0.04 0.00 0.00 0.00 0.00 30.24 28.56 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 -4.54 2.32 -0.16 2.61 3.01 -1.26 -4.81 117.46 114.63 1xsb n PHE 133 Ca 0.35 0.07 0.08 0.00 1.01 0.00 0.00 57.45 58.96 1xsb n PHE 133 Cb 1.36 -2.63 0.38 0.00 -0.01 0.00 0.00 39.48 38.59 1xsb n PHE 133 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1xsb h LYS 134 N 8.15 0.66 -0.74 -1.08 3.64 -1.96 -0.39 116.57 124.84 1xsb h LYS 134 Ca -0.47 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 58.92 1xsb h LYS 134 Cb 1.26 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.88 1xsb h LYS 134 CO 0.93 0.44 0.45 0.93 -2.27 0.00 0.00 179.45 179.92 1xsb h GLU 135 N 0.68 0.82 0.01 1.90 5.08 -1.89 0.58 114.58 121.75 1xsb h GLU 135 Ca 0.30 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.55 1xsb h GLU 135 Cb 0.31 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.38 1xsb h GLU 135 CO -0.10 0.54 -0.25 0.52 -1.00 0.00 0.00 179.01 178.72 1xsb h MET 136 N 0.84 0.16 -0.67 2.33 2.86 -1.56 1.44 114.93 120.33 1xsb h MET 136 Ca 0.32 -0.18 0.17 0.00 -2.06 0.00 0.00 59.70 57.95 1xsb h MET 136 Cb 0.12 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 1xsb h MET 136 CO -0.15 0.94 0.47 0.87 1.06 0.00 0.00 176.91 180.09 1xsb h LYS 137 N -0.54 0.13 0.00 1.72 1.57 -0.81 1.14 116.57 119.79 1xsb h LYS 137 Ca -0.03 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1xsb h LYS 137 Cb 1.03 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1xsb h LYS 137 CO 0.05 0.09 -0.00 0.00 -0.57 0.00 0.00 179.45 179.02 1xsb h ALA 138 N 1.67 -0.00 -0.24 3.86 0.00 0.39 -1.73 119.26 123.22 1xsb h ALA 138 Ca 0.32 -0.48 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1xsb h ALA 138 Cb 1.08 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1xsb h ALA 138 CO -0.05 -0.01 -0.08 0.00 0.00 0.00 0.00 179.25 179.11 1xsb h ALA 139 N 0.01 0.13 0.00 0.00 0.00 0.41 2.41 119.26 122.22 1xsb h ALA 139 Ca -0.00 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1xsb h ALA 139 Cb 0.96 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1xsb h ALA 139 CO 0.00 -0.49 -0.13 -0.07 0.00 0.00 0.00 179.25 178.56 1xsb h LEU 140 N -0.03 0.00 0.03 0.00 3.38 0.11 -0.39 115.31 118.40 1xsb h LEU 140 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1xsb h LEU 140 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1xsb h LEU 140 CO -0.26 0.13 -0.01 1.56 0.09 0.00 0.00 178.44 179.94 1xsb h GLN 141 N 0.00 -0.04 -0.53 1.13 1.08 0.12 -2.72 115.11 114.15 1xsb h GLN 141 Ca -0.00 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.11 1xsb h GLN 141 Cb 0.24 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 1xsb h GLN 141 CO 0.02 0.66 -0.02 0.93 -0.95 0.00 0.00 178.83 179.47 1xsb h GLU 142 N -0.85 0.92 -0.45 1.46 5.08 0.39 -0.86 114.58 120.28 1xsb h GLU 142 Ca -0.00 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1xsb h GLU 142 Cb 0.72 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1xsb h GLU 142 CO 0.01 0.93 0.20 0.78 -1.00 0.00 0.00 179.01 179.92 1xsb h GLY 143 N 0.99 0.71 1.01 -3.84 0.00 -1.18 -1.48 103.07 99.27 1xsb h GLY 143 Ca 0.15 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 1xsb h GLY 143 CO 0.03 0.35 0.33 0.84 0.00 0.00 0.00 176.54 178.09 1xsb h HIS 144 N 0.58 0.98 -0.56 5.60 -0.00 -1.24 -1.24 115.15 119.28 1xsb h HIS 144 Ca 0.15 -0.05 0.06 0.00 -0.00 0.00 0.00 60.37 60.54 1xsb h HIS 144 Cb 0.15 -0.31 -0.05 0.00 -0.00 0.00 0.00 27.41 27.21 1xsb h HIS 144 CO -0.00 0.73 0.27 0.37 -0.00 0.00 0.00 177.93 179.30 1xsb h GLN 145 N 0.95 0.50 -0.01 5.26 5.75 -0.60 -1.62 115.11 125.34 1xsb h GLN 145 Ca 0.24 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.70 1xsb h GLN 145 Cb 0.11 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1xsb h GLN 145 CO -0.03 0.33 -0.01 0.35 -2.65 0.00 0.00 178.83 176.82 1xsb h PHE 146 N 0.51 0.02 -0.62 3.99 3.04 -0.91 -3.17 116.94 119.80 1xsb h PHE 146 Ca 0.26 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.31 1xsb h PHE 146 Cb 0.21 -0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.67 1xsb h PHE 146 CO -0.11 0.58 0.42 -0.07 -2.02 0.00 0.00 178.31 177.11 1xsb h LEU 147 N -0.54 0.34 -0.11 0.59 3.38 -1.11 0.72 115.31 118.58 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 0.58 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1xsb h LEU 147 CO 0.00 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.73 1xsb n SER 149 N -1.62 0.63 0.00 0.00 7.64 0.25 -4.82 113.62 115.69 1xsb n SER 149 Ca 0.03 -0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1xsb n SER 149 Cb 0.19 0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 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 -1.88 0.00 0.00 0.44 5.41 -0.90 -5.08 119.36 117.35 1xsb n ILE 150 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1xsb n ILE 150 Cb 0.41 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.34 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 -3.62 0.38 2.13 -1.26 -5.13 120.64 113.15 1xsb n GLU 151 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 1xsb n GLU 151 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 1xsb n GLU 151 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xsb s ALA 152 N -1.00 -2.12 -2.45 4.31 0.00 -1.26 -5.13 121.76 114.11 1xsb s ALA 152 Ca 0.00 1.75 0.28 0.00 0.00 0.00 0.00 51.96 53.99 1xsb s ALA 152 Cb 0.00 -0.43 1.14 0.00 0.00 0.00 0.00 23.12 23.83 1xsb s ALA 152 CO 0.00 -0.52 1.79 1.28 0.00 0.00 0.00 175.76 178.31