#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsb n PRO 2 N 0.00 0.62 -1.54 1.61 -0.04 -1.26 -4.96 135.00 129.43 1xsb n PRO 2 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1xsb n PRO 2 Cb 0.00 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 1xsb n PRO 2 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xsb n LEU 3 N -0.33 -1.52 0.00 1.53 4.77 -1.26 -4.80 117.00 115.40 1xsb n LEU 3 Ca 0.00 2.53 -0.16 0.00 -0.03 0.00 0.00 56.01 58.34 1xsb n LEU 3 Cb 0.04 -3.01 0.10 0.00 -2.33 0.00 0.00 43.42 38.21 1xsb n LEU 3 CO 0.00 -0.63 0.44 0.61 -1.33 0.00 0.00 177.39 176.48 1xsb n GLY 4 N -2.41 0.01 4.08 -0.72 0.00 -1.26 -4.33 105.19 100.56 1xsb n GLY 4 Ca 0.00 -1.90 -0.34 0.00 0.00 0.00 0.00 46.02 43.78 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 -3.14 -3.98 -4.67 1.61 7.64 -1.26 -4.86 113.62 104.96 1xsb n SER 5 Ca 0.11 -0.90 -0.43 0.00 1.01 0.00 0.00 58.87 58.66 1xsb n SER 5 Cb 0.38 -3.22 -0.02 0.00 -1.01 0.00 0.00 64.21 60.34 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 -6.79 4.27 0.41 1.43 1.75 -1.26 -4.79 119.30 114.32 1xsb s MET 6 Ca 0.71 1.62 0.00 0.00 -1.25 0.00 0.00 55.69 56.78 1xsb s MET 6 Cb -0.38 -3.69 0.00 0.00 2.84 0.00 0.00 34.83 33.60 1xsb s MET 6 CO 0.88 -0.62 0.00 0.00 -0.65 0.00 0.00 175.02 174.63 1xsb n ALA 7 N 6.17 -2.93 -2.82 4.11 0.00 -1.26 -4.81 120.51 118.97 1xsb n ALA 7 Ca 0.13 0.61 -0.36 0.00 0.00 0.00 0.00 53.44 53.82 1xsb n ALA 7 Cb 0.45 -1.22 -0.07 0.00 0.00 0.00 0.00 19.45 18.61 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 -6.43 4.17 -0.03 0.00 1.02 0.25 -4.99 118.68 112.67 1xsb s LEU 8 Ca 0.00 0.34 -0.17 0.00 0.02 0.00 0.00 54.13 54.32 1xsb s LEU 8 Cb 0.00 -2.02 -0.05 0.00 0.02 0.00 0.00 46.19 44.14 1xsb s LEU 8 CO 0.00 0.35 0.47 -0.60 0.02 0.00 0.00 176.35 176.59 1xsb s ARG 9 N -0.67 4.15 0.11 1.70 3.52 -1.26 -1.46 118.95 125.04 1xsb s ARG 9 Ca 0.13 0.51 -0.07 0.00 -0.13 0.00 0.00 55.73 56.16 1xsb s ARG 9 Cb -0.12 -3.31 -0.01 0.00 -1.56 0.00 0.00 34.95 29.95 1xsb s ARG 9 CO 0.02 0.47 0.17 0.00 -0.81 0.00 0.00 175.30 175.16 1xsb s ALA 10 N -0.43 0.10 -0.17 6.12 0.00 -0.12 -3.76 121.76 123.51 1xsb s ALA 10 Ca 0.26 -0.90 -0.07 0.00 0.00 0.00 0.00 51.96 51.24 1xsb s ALA 10 Cb -0.17 0.63 0.07 0.00 0.00 0.00 0.00 23.12 23.66 1xsb s ALA 10 CO 0.14 -0.53 0.38 0.00 0.00 0.00 0.00 175.76 175.74 1xsb s GLY 12 N 2.09 2.72 -0.17 0.00 0.00 -1.03 -2.85 107.32 108.08 1xsb s GLY 12 Ca -0.04 -1.16 0.01 0.00 0.00 0.00 0.00 44.72 43.52 1xsb s GLY 12 CO -0.12 -2.06 -0.13 1.08 0.00 0.00 0.00 173.10 171.87 1xsb s LEU 13 N -3.74 1.90 -0.50 0.66 1.43 -1.15 -4.00 118.68 113.28 1xsb s LEU 13 Ca 0.19 -0.63 -0.26 0.00 -1.03 0.00 0.00 54.13 52.41 1xsb s LEU 13 Cb 0.04 -1.21 0.03 0.00 0.03 0.00 0.00 46.19 45.08 1xsb s LEU 13 CO 0.10 -0.08 0.99 -0.63 0.23 0.00 0.00 176.35 176.96 1xsb s ILE 14 N 1.45 4.36 -0.08 -0.59 1.01 -0.89 -4.26 121.20 122.19 1xsb s ILE 14 Ca 0.03 0.69 -0.07 0.00 0.00 0.00 0.00 60.65 61.31 1xsb s ILE 14 Cb -0.14 -4.52 -0.04 0.00 0.01 0.00 0.00 42.46 37.77 1xsb s ILE 14 CO -0.10 -1.00 0.18 -0.63 0.00 0.00 0.00 174.94 173.38 1xsb s ILE 15 N 4.06 5.45 -0.04 2.92 1.01 -1.26 0.08 121.20 133.41 1xsb s ILE 15 Ca 0.37 0.19 -0.01 0.00 0.00 0.00 0.00 60.65 61.20 1xsb s ILE 15 Cb -0.10 -3.46 0.03 0.00 0.01 0.00 0.00 42.46 38.94 1xsb s ILE 15 CO 0.25 0.55 0.04 0.72 0.00 0.00 0.00 174.94 176.50 1xsb s PHE 16 N -1.10 0.14 -0.27 3.97 -0.71 0.87 -1.85 117.98 119.03 1xsb s PHE 16 Ca 0.19 0.17 -0.24 0.00 -1.04 0.00 0.00 56.93 56.01 1xsb s PHE 16 Cb -0.13 -0.48 -0.00 0.00 -1.21 0.00 0.00 43.02 41.21 1xsb s PHE 16 CO 0.08 -0.19 0.82 0.50 -1.34 0.00 0.00 175.22 175.09 1xsb s ARG 17 N 1.90 4.09 -0.04 1.99 3.00 0.19 -3.95 118.95 126.14 1xsb s ARG 17 Ca 0.02 0.80 -0.13 0.00 -1.00 0.00 0.00 55.73 55.41 1xsb s ARG 17 Cb -0.12 -3.68 -0.05 0.00 0.00 0.00 0.00 34.95 31.09 1xsb s ARG 17 CO -0.03 -0.59 0.35 0.50 0.00 0.00 0.00 175.30 175.52 1xsb s ARG 18 N 2.91 3.84 0.41 5.12 3.52 -1.26 -2.35 118.95 131.14 1xsb s ARG 18 Ca 0.34 0.28 -0.06 0.00 -0.13 0.00 0.00 55.73 56.16 1xsb s ARG 18 Cb -0.15 -3.23 -0.05 0.00 -1.56 0.00 0.00 34.95 29.97 1xsb s ARG 18 CO 0.10 0.68 0.71 0.00 -0.81 0.00 0.00 175.30 175.97 1xsb h LEU 20 N 0.82 0.23 -7.95 0.00 3.38 -1.98 -3.43 115.31 106.38 1xsb h LEU 20 Ca -0.47 0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.46 1xsb h LEU 20 Cb 1.20 0.09 -0.18 0.00 0.09 0.00 0.00 40.66 41.86 1xsb h LEU 20 CO 0.63 0.09 -0.58 0.27 0.09 0.00 0.00 178.44 178.94 1xsb s ILE 21 N -6.04 0.14 0.79 1.22 -5.25 -1.26 -5.17 121.20 105.63 1xsb s ILE 21 Ca -0.13 -1.12 -0.08 0.00 -0.99 0.00 0.00 60.65 58.33 1xsb s ILE 21 Cb 0.20 -0.80 0.12 0.00 2.95 0.00 0.00 42.46 44.92 1xsb s ILE 21 CO 0.76 -0.62 1.11 -2.16 -1.79 0.00 0.00 174.94 172.24 1xsb s PRO 22 N -2.44 1.59 0.00 0.37 0.04 -1.26 -5.00 135.00 128.31 1xsb s PRO 22 Ca -0.07 -0.48 0.00 0.00 0.04 0.00 0.00 61.00 60.50 1xsb s PRO 22 Cb -0.02 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1xsb s PRO 22 CO -0.04 -1.66 0.00 1.63 0.04 0.00 0.00 177.00 176.97 1xsb n LYS 23 N -3.18 0.00 0.00 4.56 5.02 -1.26 -4.88 118.16 118.42 1xsb n LYS 23 Ca 0.12 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.53 1xsb n LYS 23 Cb 0.60 0.00 0.53 0.00 -0.02 0.00 0.00 35.03 36.15 1xsb n LYS 23 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xsb n VAL 24 N -0.87 0.30 -2.74 -0.18 0.31 -1.26 -4.87 118.33 109.02 1xsb n VAL 24 Ca 0.00 0.08 -0.14 0.00 -0.01 0.00 0.00 64.34 64.27 1xsb n VAL 24 Cb 0.00 -0.66 0.02 0.00 -0.91 0.00 0.00 33.84 32.30 1xsb n VAL 24 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1xsb n ASP 25 N -1.48 -4.33 0.14 4.52 4.64 -1.26 -4.83 116.55 113.95 1xsb n ASP 25 Ca 0.07 -0.18 0.00 0.00 -1.38 0.00 0.00 54.79 53.29 1xsb n ASP 25 Cb 0.28 -3.20 0.00 0.00 -1.04 0.00 0.00 41.12 37.16 1xsb n ASP 25 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 1xsb n ASN 26 N -0.84 -1.04 -0.23 1.67 2.85 -1.26 -4.85 115.26 111.56 1xsb n ASN 26 Ca -0.07 0.49 0.04 0.00 -0.11 0.00 0.00 54.58 54.94 1xsb n ASN 26 Cb 0.57 1.13 0.17 0.00 1.24 0.00 0.00 39.78 42.89 1xsb n ASN 26 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1xsb n ASN 27 N -3.28 0.67 -0.08 1.20 3.02 -1.26 -3.96 115.26 111.57 1xsb n ASN 27 Ca 0.00 -1.88 0.06 0.00 -0.03 0.00 0.00 54.58 52.73 1xsb n ASN 27 Cb 0.00 -0.07 0.41 0.00 -0.61 0.00 0.00 39.78 39.50 1xsb n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xsb h ALA 28 N 3.37 1.75 -4.36 5.41 0.00 -1.94 -3.41 119.26 120.08 1xsb h ALA 28 Ca 0.00 -0.02 -0.70 0.00 0.00 0.00 0.00 54.91 54.19 1xsb h ALA 28 Cb 0.17 -0.17 -0.28 0.00 0.00 0.00 0.00 17.79 17.52 1xsb h ALA 28 CO 0.00 0.18 -0.85 0.42 0.00 0.00 0.00 179.25 179.00 1xsb s ILE 29 N -5.54 2.38 0.21 0.00 1.01 -1.25 -3.13 121.20 114.87 1xsb s ILE 29 Ca -0.09 -0.98 0.10 0.00 0.00 0.00 0.00 60.65 59.68 1xsb s ILE 29 Cb 0.18 -1.86 -0.05 0.00 0.01 0.00 0.00 42.46 40.74 1xsb s ILE 29 CO 0.75 0.58 -0.19 -1.61 0.00 0.00 0.00 174.94 174.47 1xsb s GLU 30 N -0.59 1.43 0.17 2.79 2.02 -0.99 -4.17 118.70 119.36 1xsb s GLU 30 Ca 0.09 -1.56 0.11 0.00 0.02 0.00 0.00 54.97 53.63 1xsb s GLU 30 Cb -0.11 -1.50 -0.04 0.00 0.10 0.00 0.00 34.13 32.58 1xsb s GLU 30 CO -0.00 0.29 -0.24 -0.06 0.02 0.00 0.00 175.26 175.27 1xsb s PHE 31 N -2.28 2.33 -0.13 1.61 0.08 -0.54 0.53 117.98 119.58 1xsb s PHE 31 Ca 0.22 -0.36 -0.24 0.00 0.12 0.00 0.00 56.93 56.67 1xsb s PHE 31 Cb -0.05 -1.19 -0.03 0.00 -0.57 0.00 0.00 43.02 41.18 1xsb s PHE 31 CO 0.09 0.45 0.75 -1.17 -0.10 0.00 0.00 175.22 175.24 1xsb s LEU 32 N -2.46 4.23 -0.04 -0.37 2.96 -0.77 -3.66 118.68 118.56 1xsb s LEU 32 Ca 0.19 1.13 0.03 0.00 -0.22 0.00 0.00 54.13 55.26 1xsb s LEU 32 Cb -0.09 -3.12 0.01 0.00 0.50 0.00 0.00 46.19 43.49 1xsb s LEU 32 CO 0.09 -0.25 -0.12 -0.76 -1.32 0.00 0.00 176.35 173.99 1xsb s LEU 33 N 1.51 1.73 -0.07 -0.68 1.43 -1.16 -4.60 118.68 116.85 1xsb s LEU 33 Ca 0.37 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 53.19 1xsb s LEU 33 Cb -0.17 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 1xsb s LEU 33 CO 0.15 0.07 0.05 -0.76 0.23 0.00 0.00 176.35 176.08 1xsb s LEU 34 N 0.37 3.80 -0.19 1.79 1.43 -1.21 -1.71 118.68 122.95 1xsb s LEU 34 Ca -0.08 0.19 -0.16 0.00 -1.03 0.00 0.00 54.13 53.05 1xsb s LEU 34 Cb -0.12 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 1xsb s LEU 34 CO 0.02 0.35 0.41 -1.58 0.23 0.00 0.00 176.35 175.78 1xsb s GLN 35 N -1.17 4.19 0.58 1.70 0.74 1.05 -2.98 119.66 123.78 1xsb s GLN 35 Ca 0.16 0.23 -0.20 0.00 0.05 0.00 0.00 55.36 55.60 1xsb s GLN 35 Cb -0.12 -3.53 -0.04 0.00 1.10 0.00 0.00 33.01 30.42 1xsb s GLN 35 CO 0.06 -0.03 1.28 0.00 -0.55 0.00 0.00 175.29 176.05 1xsb n ALA 36 N 4.43 1.23 1.65 1.58 0.00 -1.18 -0.37 120.51 127.85 1xsb n ALA 36 Ca -0.08 0.08 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1xsb n ALA 36 Cb 0.51 -2.31 0.83 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.18 0.00 -1.22 0.00 3.41 0.15 -4.41 113.62 110.37 1xsb n SER 37 Ca 0.12 -0.52 -0.01 0.00 -0.26 0.00 0.00 58.87 58.20 1xsb n SER 37 Cb 0.46 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 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 -1.15 -0.24 0.00 4.04 2.03 -1.26 -4.98 116.55 114.99 1xsb n ASP 38 Ca 0.18 -1.20 0.00 0.00 0.52 0.00 0.00 54.79 54.29 1xsb n ASP 38 Cb 0.18 0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 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 -0.06 -0.88 0.00 0.27 0.00 -1.26 -3.22 105.19 100.04 1xsb n GLY 39 Ca -0.01 -1.19 0.06 0.00 0.00 0.00 0.00 46.02 44.89 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 -4.81 119.36 104.73 1xsb n ILE 40 Ca 0.00 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.38 1xsb n ILE 40 Cb 0.00 -0.38 0.02 0.00 -1.74 0.00 0.00 39.64 37.54 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 -0.76 -0.90 -1.88 4.28 8.25 -1.20 -4.98 115.22 118.03 1xsb n HIS 41 Ca 0.10 0.24 -0.34 0.00 -0.26 0.00 0.00 57.72 57.45 1xsb n HIS 41 Cb 0.04 -2.62 0.04 0.00 1.12 0.00 0.00 29.99 28.58 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 2.48 -0.14 4.41 -0.00 -1.26 -4.61 115.29 113.36 1xsb s HIS 42 Ca 0.14 1.55 -0.05 0.00 -0.00 0.00 0.00 55.06 56.70 1xsb s HIS 42 Cb -0.06 -3.32 -0.04 0.00 -0.00 0.00 0.00 32.58 29.17 1xsb s HIS 42 CO 0.17 -1.93 0.03 -1.58 -0.00 0.00 0.00 174.74 171.43 1xsb s TRP 43 N -1.98 3.21 -0.06 0.38 0.52 -1.26 -3.09 118.94 116.67 1xsb s TRP 43 Ca 0.72 0.09 -0.21 0.00 0.02 0.00 0.00 56.10 56.72 1xsb s TRP 43 Cb -0.25 -1.94 0.04 0.00 -1.15 0.00 0.00 33.47 30.17 1xsb s TRP 43 CO 0.37 0.29 0.47 0.95 0.02 0.00 0.00 176.95 179.04 1xsb s THR 44 N -0.21 0.03 0.93 2.01 -4.23 -1.16 -4.39 115.64 108.62 1xsb s THR 44 Ca 0.06 -0.23 -0.10 0.00 -1.18 0.00 0.00 61.69 60.24 1xsb s THR 44 Cb -0.12 -0.76 0.15 0.00 1.34 0.00 0.00 72.50 73.11 1xsb s THR 44 CO 0.02 -0.13 1.11 -2.65 -0.54 0.00 0.00 174.62 172.43 1xsb n PRO 45 N 1.40 -0.56 -1.52 3.99 -0.02 -1.26 -3.33 135.00 133.70 1xsb n PRO 45 Ca -0.19 -0.10 -0.36 0.00 -2.02 0.00 0.00 63.50 60.83 1xsb n PRO 45 Cb 0.56 -2.35 -0.11 0.00 -0.02 0.00 0.00 33.50 31.59 1xsb n PRO 45 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1xsb n PRO 46 N -4.20 0.42 -3.68 0.52 -0.02 -1.26 -4.77 135.00 122.01 1xsb n PRO 46 Ca 0.11 -0.06 -0.37 0.00 -2.02 0.00 0.00 63.50 61.16 1xsb n PRO 46 Cb 0.52 -2.32 -0.06 0.00 -0.02 0.00 0.00 33.50 31.63 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 8.58 3.71 0.27 -0.52 1.02 -1.26 -2.94 119.74 128.60 1xsb s LYS 47 Ca 1.19 0.15 -0.06 0.00 0.02 0.00 0.00 55.97 57.28 1xsb s LYS 47 Cb -0.76 -3.21 -0.01 0.00 -0.52 0.00 0.00 37.83 33.33 1xsb s LYS 47 CO 0.39 0.72 0.39 0.20 -0.92 0.00 0.00 175.35 176.12 1xsb s GLY 48 N -1.00 1.15 -0.10 -3.33 0.00 -1.13 -4.99 107.32 97.91 1xsb s GLY 48 Ca 0.19 -1.34 -0.04 0.00 0.00 0.00 0.00 44.72 43.54 1xsb s GLY 48 CO 0.09 -0.97 0.04 0.30 0.00 0.00 0.00 173.10 172.56 1xsb s HIS 49 N -3.70 3.28 -0.05 1.90 3.76 -1.26 -2.34 115.29 116.88 1xsb s HIS 49 Ca 0.30 0.26 -0.14 0.00 -0.15 0.00 0.00 55.06 55.33 1xsb s HIS 49 Cb 0.01 -1.85 -0.05 0.00 1.11 0.00 0.00 32.58 31.80 1xsb s HIS 49 CO 0.14 0.51 0.38 0.54 -0.85 0.00 0.00 174.74 175.46 1xsb s VAL 50 N -0.82 5.13 0.62 -0.90 0.11 -1.25 -4.90 120.40 118.40 1xsb s VAL 50 Ca 0.13 0.76 -0.10 0.00 -2.93 0.00 0.00 61.98 59.83 1xsb s VAL 50 Cb -0.12 -3.68 0.15 0.00 -1.53 0.00 0.00 36.38 31.20 1xsb s VAL 50 CO 0.03 0.53 0.58 1.21 -3.33 0.00 0.00 175.10 174.11 1xsb n GLU 51 N 2.28 -1.99 0.02 1.54 4.07 -1.26 -4.94 120.64 120.36 1xsb n GLU 51 Ca -0.13 -0.92 -0.01 0.00 -0.06 0.00 0.00 57.16 56.04 1xsb n GLU 51 Cb 0.52 -0.83 -0.00 0.00 -0.06 0.00 0.00 31.44 31.07 1xsb n GLU 51 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1xsb h PRO 52 N 0.00 -0.06 -0.46 5.31 0.13 -1.99 -3.29 132.00 131.64 1xsb h PRO 52 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1xsb h PRO 52 Cb 0.65 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1xsb h PRO 52 CO 0.14 -0.04 0.00 0.41 -0.23 0.00 0.00 178.00 178.28 1xsb n GLY 53 N 0.83 0.36 3.83 1.56 0.00 -1.26 -4.84 105.19 105.67 1xsb n GLY 53 Ca -0.01 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.59 4.16 0.71 1.61 2.12 -1.24 -5.04 118.70 119.44 1xsb s GLU 54 Ca 0.05 0.89 -0.12 0.00 0.36 0.00 0.00 54.97 56.15 1xsb s GLU 54 Cb 0.03 -2.48 0.03 0.00 0.26 0.00 0.00 34.13 31.97 1xsb s GLU 54 CO 0.03 0.16 1.09 0.34 -0.54 0.00 0.00 175.26 176.34 1xsb s ASP 55 N -2.07 4.88 -0.06 -1.70 -1.08 -1.26 -4.75 116.67 110.63 1xsb s ASP 55 Ca 0.54 1.86 -0.25 0.00 -0.52 0.00 0.00 52.55 54.18 1xsb s ASP 55 Cb -0.12 -2.53 -0.24 0.00 -1.46 0.00 0.00 42.92 38.58 1xsb s ASP 55 CO 0.17 -1.78 1.02 0.44 0.52 0.00 0.00 175.17 175.54 1xsb h ASP 56 N -0.58 0.17 -0.26 -0.34 3.32 -1.96 -3.00 116.42 113.77 1xsb h ASP 56 Ca -0.45 -0.78 -0.11 0.00 0.02 0.00 0.00 57.03 55.71 1xsb h ASP 56 Cb 1.23 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.73 1xsb h ASP 56 CO 0.53 0.93 -0.27 0.25 -1.72 0.00 0.00 179.24 178.96 1xsb h LEU 57 N -0.57 0.68 -1.02 1.55 5.85 -1.96 -3.02 115.31 116.81 1xsb h LEU 57 Ca -0.02 -0.48 0.11 0.00 0.84 0.00 0.00 57.88 58.33 1xsb h LEU 57 Cb 0.96 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.71 1xsb h LEU 57 CO 0.04 1.02 0.63 -0.33 -0.34 0.00 0.00 178.44 179.46 1xsb h GLU 58 N 0.35 0.99 -0.79 1.25 3.07 -1.96 0.56 114.58 118.06 1xsb h GLU 58 Ca 0.04 -0.06 0.04 0.00 -0.50 0.00 0.00 59.36 58.88 1xsb h GLU 58 Cb 0.83 -0.22 -0.05 0.00 -0.84 0.00 0.00 28.75 28.47 1xsb h GLU 58 CO 0.07 0.66 0.49 1.15 -1.40 0.00 0.00 179.01 179.98 1xsb h THR 59 N 1.02 1.09 -0.42 1.13 2.02 -1.41 0.83 112.91 117.17 1xsb h THR 59 Ca 0.48 -0.32 -0.08 0.00 0.77 0.00 0.00 66.41 67.25 1xsb h THR 59 Cb 0.43 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1xsb h THR 59 CO -0.24 0.17 -0.07 0.00 0.37 0.00 0.00 175.52 175.75 1xsb h ALA 60 N 1.35 0.57 0.19 6.16 0.00 -0.46 0.14 119.26 127.20 1xsb h ALA 60 Ca 0.32 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1xsb h ALA 60 Cb 0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1xsb h ALA 60 CO -0.13 0.42 -0.10 -0.07 0.00 0.00 0.00 179.25 179.36 1xsb h LEU 61 N 0.61 -0.25 -0.65 0.00 3.38 0.15 0.57 115.31 119.12 1xsb h LEU 61 Ca 0.11 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1xsb h LEU 61 Cb 0.58 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1xsb h LEU 61 CO 0.03 -0.17 0.28 -0.09 0.09 0.00 0.00 178.44 178.58 1xsb h ARG 62 N -0.27 0.96 -0.29 1.13 2.43 0.69 -2.18 114.38 116.85 1xsb h ARG 62 Ca -0.02 -0.16 -0.08 0.00 -0.81 0.00 0.00 59.98 58.91 1xsb h ARG 62 Cb 0.22 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1xsb h ARG 62 CO 0.03 0.79 -0.17 0.00 -1.51 0.00 0.00 179.97 179.11 1xsb h ALA 63 N 1.12 1.18 -0.48 2.80 0.00 -0.41 -0.23 119.26 123.24 1xsb h ALA 63 Ca 0.22 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1xsb h ALA 63 Cb 0.18 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1xsb h ALA 63 CO -0.02 0.52 0.29 1.15 0.00 0.00 0.00 179.25 181.19 1xsb h THR 64 N 0.46 1.06 0.15 0.00 2.02 0.77 -0.37 112.91 117.00 1xsb h THR 64 Ca 0.08 -0.20 -0.30 0.00 0.77 0.00 0.00 66.41 66.76 1xsb h THR 64 Cb 0.56 0.43 0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1xsb h THR 64 CO 0.04 0.11 -1.28 -0.61 0.37 0.00 0.00 175.52 174.14 1xsb h GLN 65 N 0.58 0.47 -0.79 6.66 4.15 -0.50 0.10 115.11 125.78 1xsb h GLN 65 Ca 0.19 -0.71 -0.04 0.00 0.77 0.00 0.00 58.65 58.86 1xsb h GLN 65 Cb 0.00 0.25 -0.04 0.00 0.21 0.00 0.00 27.48 27.91 1xsb h GLN 65 CO -0.08 1.32 0.34 0.93 -1.93 0.00 0.00 178.83 179.41 1xsb h GLU 66 N 0.17 1.16 -0.06 1.69 5.08 -0.86 2.70 114.58 124.46 1xsb h GLU 66 Ca -0.18 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1xsb h GLU 66 Cb 1.97 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 31.03 1xsb h GLU 66 CO 0.23 0.93 0.00 0.39 -1.00 0.00 0.00 179.01 179.56 1xsb n GLU 67 N -4.29 2.00 0.00 2.33 1.02 -0.16 -3.98 120.64 117.56 1xsb n GLU 67 Ca 0.07 -1.81 0.00 0.00 -0.02 0.00 0.00 57.16 55.40 1xsb n GLU 67 Cb 0.17 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 1.21 0.40 -0.19 0.62 0.00 0.18 -4.07 120.51 118.65 1xsb n ALA 68 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1xsb n ALA 68 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 0.16 1.23 3.62 0.00 0.00 0.90 0.54 105.19 111.65 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 -2.69 4.96 0.40 -0.61 1.01 -1.21 -4.73 121.20 118.33 1xsb s ILE 70 Ca 0.00 0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.74 1xsb s ILE 70 Cb 0.00 -3.28 -0.06 0.00 0.01 0.00 0.00 42.46 39.13 1xsb s ILE 70 CO 0.00 0.40 0.03 -0.70 0.00 0.00 0.00 174.94 174.67 1xsb s GLU 71 N 0.81 1.90 0.43 2.79 2.12 -1.26 -0.61 118.70 124.87 1xsb s GLU 71 Ca 0.05 -2.10 0.23 0.00 0.36 0.00 0.00 54.97 53.52 1xsb s GLU 71 Cb -0.13 -1.35 1.23 0.00 0.26 0.00 0.00 34.13 34.14 1xsb s GLU 71 CO 0.02 -0.15 1.74 0.00 -0.54 0.00 0.00 175.26 176.33 1xsb h ALA 72 N 1.81 2.46 0.00 6.30 0.00 -1.85 3.94 119.26 131.92 1xsb h ALA 72 Ca -0.43 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1xsb h ALA 72 Cb 1.25 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1xsb h ALA 72 CO 0.76 -0.90 0.00 0.41 0.00 0.00 0.00 179.25 179.52 1xsb n GLY 73 N -1.52 -0.67 0.00 0.00 0.00 -1.26 -1.98 105.19 99.76 1xsb n GLY 73 Ca 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.30 5.40 -3.42 1.61 1.13 1.28 -5.03 117.38 117.04 1xsb n GLN 74 Ca 0.05 -0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.96 1xsb n GLN 74 Cb 0.09 -0.62 -0.04 0.00 0.11 0.00 0.00 30.24 29.78 1xsb n GLN 74 CO 0.00 0.00 0.00 1.47 -1.44 0.00 0.00 177.06 177.09 1xsb n LEU 75 N -1.12 0.00 -3.88 1.08 -0.00 0.12 -0.43 117.00 112.76 1xsb n LEU 75 Ca 0.00 -1.84 -0.30 0.00 -0.00 0.00 0.00 56.01 53.87 1xsb n LEU 75 Cb 0.01 0.59 -0.16 0.00 -0.00 0.00 0.00 43.42 43.86 1xsb n LEU 75 CO 0.01 -0.28 -0.39 -0.89 -0.00 0.00 0.00 177.39 175.83 1xsb s THR 76 N -2.43 1.32 0.08 1.47 2.01 0.25 -4.73 115.64 113.61 1xsb s THR 76 Ca 0.12 -1.21 -0.31 0.00 0.31 0.00 0.00 61.69 60.60 1xsb s THR 76 Cb 0.01 -1.71 -0.06 0.00 0.01 0.00 0.00 72.50 70.75 1xsb s THR 76 CO 0.08 -0.23 1.23 -0.63 -0.69 0.00 0.00 174.62 174.39 1xsb s ILE 77 N 1.47 3.87 0.12 1.82 -1.09 -1.26 -2.18 121.20 123.95 1xsb s ILE 77 Ca -0.02 1.36 -0.20 0.00 -2.23 0.00 0.00 60.65 59.56 1xsb s ILE 77 Cb -0.18 -3.87 -0.07 0.00 -1.58 0.00 0.00 42.46 36.76 1xsb s ILE 77 CO -0.09 0.11 0.62 -0.63 -1.23 0.00 0.00 174.94 173.73 1xsb s ILE 78 N 0.99 4.66 0.11 2.92 1.09 0.13 -4.98 121.20 126.12 1xsb s ILE 78 Ca 0.59 1.27 0.03 0.00 -1.10 0.00 0.00 60.65 61.45 1xsb s ILE 78 Cb -0.31 -3.92 -0.04 0.00 -1.06 0.00 0.00 42.46 37.13 1xsb s ILE 78 CO 0.30 0.48 0.16 -1.61 -0.10 0.00 0.00 174.94 174.16 1xsb s GLU 79 N -1.31 3.11 0.00 2.79 2.02 -1.26 -4.46 118.70 119.58 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 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.22 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 0.06 2.50 3.43 -1.39 0.00 -1.26 -5.04 105.19 103.49 1xsb n GLY 80 Ca -0.07 0.00 -0.35 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 -2.52 3.03 -0.15 1.61 2.19 -1.26 -5.08 117.98 115.79 1xsb s PHE 81 Ca 0.00 -0.51 -0.11 0.00 0.33 0.00 0.00 56.93 56.64 1xsb s PHE 81 Cb 0.00 -2.08 0.05 0.00 -1.31 0.00 0.00 43.02 39.68 1xsb s PHE 81 CO 0.00 -0.27 0.39 0.21 1.83 0.00 0.00 175.22 177.38 1xsb s LYS 82 N 1.04 0.41 -0.25 10.12 2.20 -1.26 -4.65 119.74 127.34 1xsb s LYS 82 Ca 0.02 0.66 -0.26 0.00 -0.36 0.00 0.00 55.97 56.03 1xsb s LYS 82 Cb -0.14 0.08 0.09 0.00 -1.51 0.00 0.00 37.83 36.35 1xsb s LYS 82 CO 0.01 -0.11 0.86 0.50 -0.36 0.00 0.00 175.35 176.25 1xsb s ARG 83 N 0.85 0.70 -0.04 4.03 3.52 -1.25 -5.03 118.95 121.73 1xsb s ARG 83 Ca -0.05 0.74 0.07 0.00 -0.13 0.00 0.00 55.73 56.35 1xsb s ARG 83 Cb -0.06 0.34 -0.01 0.00 -1.56 0.00 0.00 34.95 33.66 1xsb s ARG 83 CO -0.06 -0.10 -0.25 -1.83 -0.81 0.00 0.00 175.30 172.24 1xsb s GLU 84 N 0.13 2.36 -0.31 5.12 1.03 -1.24 -1.28 118.70 124.50 1xsb s GLU 84 Ca 0.00 -0.91 -0.21 0.00 0.03 0.00 0.00 54.97 53.88 1xsb s GLU 84 Cb -0.04 -2.10 -0.00 0.00 -0.80 0.00 0.00 34.13 31.18 1xsb s GLU 84 CO -0.01 0.45 0.68 -0.51 -1.33 0.00 0.00 175.26 174.53 1xsb s LEU 85 N -0.34 4.14 -0.16 1.83 1.43 0.24 -4.70 118.68 121.12 1xsb s LEU 85 Ca 0.02 0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 53.57 1xsb s LEU 85 Cb -0.12 -2.89 -0.01 0.00 0.03 0.00 0.00 46.19 43.20 1xsb s LEU 85 CO 0.02 -0.53 -0.11 0.20 0.23 0.00 0.00 176.35 176.15 1xsb s ASN 86 N 1.65 4.05 -0.09 2.29 0.01 -1.25 -1.11 114.94 120.49 1xsb s ASN 86 Ca 0.27 -0.36 -0.30 0.00 -0.71 0.00 0.00 52.86 51.77 1xsb s ASN 86 Cb -0.15 -1.64 0.11 0.00 0.41 0.00 0.00 41.25 39.98 1xsb s ASN 86 CO 0.12 0.11 0.89 -0.72 -1.51 0.00 0.00 177.10 176.00 1xsb s TYR 87 N 0.69 -0.43 -0.42 2.20 -0.85 -1.10 -4.93 117.35 112.51 1xsb s TYR 87 Ca -0.05 0.63 -0.06 0.00 -0.52 0.00 0.00 57.07 57.06 1xsb s TYR 87 Cb -0.15 0.47 0.10 0.00 0.38 0.00 0.00 41.96 42.76 1xsb s TYR 87 CO 0.02 -0.46 0.25 0.54 -1.52 0.00 0.00 175.55 174.38 1xsb s VAL 88 N -1.67 3.76 0.00 -3.49 0.11 -1.26 -0.53 120.40 117.33 1xsb s VAL 88 Ca -0.02 -1.79 0.00 0.00 -2.93 0.00 0.00 61.98 57.24 1xsb s VAL 88 Cb -0.00 -3.46 0.00 0.00 -1.53 0.00 0.00 36.38 31.39 1xsb s VAL 88 CO 0.00 -0.64 0.00 0.00 -3.33 0.00 0.00 175.10 171.13 1xsb n ALA 89 N 4.76 0.00 -0.00 1.54 0.00 -1.25 -4.54 120.51 121.02 1xsb n ALA 89 Ca -0.06 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.23 1xsb n ALA 89 Cb 0.42 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.56 0.00 0.00 2.43 -2.05 -3.42 114.38 110.78 1xsb h ARG 90 Ca 0.00 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1xsb h ARG 90 Cb 0.00 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1xsb h ARG 90 CO 0.00 -0.37 -0.00 -1.71 -1.51 0.00 0.00 179.97 176.38 1xsb n ASN 91 N -5.44 -0.01 -3.74 -3.80 2.85 -1.26 -5.13 115.26 98.73 1xsb n ASN 91 Ca -0.06 -0.06 -0.18 0.00 -0.11 0.00 0.00 54.58 54.17 1xsb n ASN 91 Cb 0.38 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.23 1xsb n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1xsb s LYS 92 N 0.00 0.07 -0.10 1.20 2.47 -1.26 -5.07 119.74 117.05 1xsb s LYS 92 Ca 0.00 0.23 -0.30 0.00 -1.56 0.00 0.00 55.97 54.35 1xsb s LYS 92 Cb 0.00 -0.46 -0.04 0.00 -1.46 0.00 0.00 37.83 35.87 1xsb s LYS 92 CO 0.00 -0.24 1.45 -1.25 0.16 0.00 0.00 175.35 175.48 1xsb s PRO 93 N 1.57 4.21 -0.21 4.03 0.04 -1.26 -3.75 135.00 139.64 1xsb s PRO 93 Ca -0.02 1.93 -0.06 0.00 0.04 0.00 0.00 61.00 62.89 1xsb s PRO 93 Cb -0.13 -3.85 -0.03 0.00 0.04 0.00 0.00 34.50 30.53 1xsb s PRO 93 CO -0.03 -0.76 0.02 0.15 0.04 0.00 0.00 177.00 176.42 1xsb s LYS 94 N 3.66 3.67 -0.26 4.56 1.02 0.31 -0.58 119.74 132.12 1xsb s LYS 94 Ca 0.64 -0.49 -0.14 0.00 0.02 0.00 0.00 55.97 56.00 1xsb s LYS 94 Cb -0.28 -3.14 -0.04 0.00 -0.52 0.00 0.00 37.83 33.85 1xsb s LYS 94 CO 0.22 0.01 0.32 0.99 -0.92 0.00 0.00 175.35 175.97 1xsb s THR 95 N 1.03 5.23 -0.20 2.17 2.01 -0.54 -2.72 115.64 122.62 1xsb s THR 95 Ca 0.02 0.46 -0.01 0.00 0.31 0.00 0.00 61.69 62.48 1xsb s THR 95 Cb -0.14 -3.65 0.01 0.00 0.01 0.00 0.00 72.50 68.73 1xsb s THR 95 CO 0.02 0.21 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.33 1xsb s VAL 96 N 1.80 2.56 -0.20 3.82 1.01 -0.27 -0.95 120.40 128.17 1xsb s VAL 96 Ca 0.13 -0.82 -0.13 0.00 0.00 0.00 0.00 61.98 61.16 1xsb s VAL 96 Cb -0.15 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1xsb s VAL 96 CO 0.09 0.46 0.28 -0.63 0.00 0.00 0.00 175.10 175.30 1xsb s ILE 97 N 1.35 5.29 -0.09 2.22 -1.09 -1.08 0.79 121.20 128.59 1xsb s ILE 97 Ca 0.05 0.48 0.03 0.00 -2.23 0.00 0.00 60.65 58.97 1xsb s ILE 97 Cb -0.14 -3.62 -0.02 0.00 -1.58 0.00 0.00 42.46 37.11 1xsb s ILE 97 CO -0.09 0.33 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.48 1xsb s TYR 98 N 0.92 2.69 -0.04 3.97 2.02 -0.41 -2.48 117.35 124.03 1xsb s TYR 98 Ca 0.14 -0.51 0.06 0.00 -0.37 0.00 0.00 57.07 56.39 1xsb s TYR 98 Cb -0.14 -1.72 -0.02 0.00 -0.40 0.00 0.00 41.96 39.68 1xsb s TYR 98 CO 0.05 -0.08 -0.20 -1.58 -1.57 0.00 0.00 175.55 172.16 1xsb s TRP 99 N -0.12 2.52 0.15 2.71 0.51 -1.26 -3.91 118.94 119.54 1xsb s TRP 99 Ca -0.02 -0.32 -0.30 0.00 -2.12 0.00 0.00 56.10 53.34 1xsb s TRP 99 Cb -0.14 -1.57 -0.07 0.00 -0.81 0.00 0.00 33.47 30.88 1xsb s TRP 99 CO 0.04 0.06 1.10 -0.51 -0.51 0.00 0.00 176.95 177.12 1xsb s LEU 100 N -0.64 4.47 0.04 2.99 1.43 -1.26 -2.09 118.68 123.62 1xsb s LEU 100 Ca 0.10 2.05 0.01 0.00 -1.03 0.00 0.00 54.13 55.25 1xsb s LEU 100 Cb -0.10 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 1xsb s LEU 100 CO -0.00 -0.24 -0.05 0.00 0.23 0.00 0.00 176.35 176.28 1xsb s ALA 101 N -0.02 0.43 -0.15 4.21 0.00 0.11 0.20 121.76 126.54 1xsb s ALA 101 Ca 0.50 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.68 1xsb s ALA 101 Cb -0.29 0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.97 1xsb s ALA 101 CO 0.34 -0.13 -0.16 -2.00 0.00 0.00 0.00 175.76 173.80 1xsb s GLU 102 N -1.98 2.49 0.11 0.00 2.12 -0.93 0.30 118.70 120.81 1xsb s GLU 102 Ca -0.09 -0.64 -0.30 0.00 0.36 0.00 0.00 54.97 54.30 1xsb s GLU 102 Cb -0.07 -2.18 -0.06 0.00 0.26 0.00 0.00 34.13 32.07 1xsb s GLU 102 CO -0.02 -0.17 1.15 0.14 -0.54 0.00 0.00 175.26 175.82 1xsb s VAL 103 N 1.27 4.00 0.20 3.70 -7.23 -1.26 -0.59 120.40 120.50 1xsb s VAL 103 Ca 0.01 1.55 -0.11 0.00 -1.81 0.00 0.00 61.98 61.62 1xsb s VAL 103 Cb -0.14 -3.99 0.12 0.00 0.56 0.00 0.00 36.38 32.93 1xsb s VAL 103 CO -0.08 0.18 1.81 0.11 -0.31 0.00 0.00 175.10 176.81 1xsb h LYS 104 N 6.08 0.65 -5.45 4.82 1.57 -1.08 -3.42 116.57 119.75 1xsb h LYS 104 Ca -0.43 -0.04 -0.63 0.00 -1.87 0.00 0.00 60.65 57.68 1xsb h LYS 104 Cb 1.21 -0.15 -0.11 0.00 0.08 0.00 0.00 32.23 33.27 1xsb h LYS 104 CO 0.77 0.43 -0.50 0.34 -0.57 0.00 0.00 179.45 179.92 1xsb s ASP 105 N -5.60 6.16 0.20 0.86 -1.08 -1.26 -4.97 116.67 110.97 1xsb s ASP 105 Ca -0.13 0.30 -0.08 0.00 -0.52 0.00 0.00 52.55 52.12 1xsb s ASP 105 Cb 0.15 -2.04 0.13 0.00 -1.46 0.00 0.00 42.92 39.71 1xsb s ASP 105 CO 0.75 0.28 1.71 0.22 0.52 0.00 0.00 175.17 178.65 1xsb h TYR 106 N 5.95 1.17 -0.40 -5.34 3.20 -1.99 -0.53 116.97 119.04 1xsb h TYR 106 Ca -0.46 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.26 1xsb h TYR 106 Cb 1.18 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.13 1xsb h TYR 106 CO 0.65 0.97 0.00 -0.25 -1.64 0.00 0.00 178.16 177.88 1xsb n ASP 107 N -4.22 3.43 -4.36 -2.11 8.00 -1.26 -4.96 116.55 111.07 1xsb n ASP 107 Ca 0.05 -2.37 -0.44 0.00 0.71 0.00 0.00 54.79 52.74 1xsb n ASP 107 Cb 0.28 -0.51 -0.01 0.00 -0.02 0.00 0.00 41.12 40.86 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 0.56 1.24 -2.02 2.53 3.14 -0.21 -4.80 118.33 118.77 1xsb n VAL 108 Ca 0.17 -0.50 -0.38 0.00 -2.96 0.00 0.00 64.34 60.67 1xsb n VAL 108 Cb 0.68 -0.09 0.02 0.00 -1.06 0.00 0.00 33.84 33.39 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 -1.09 3.43 -0.23 1.45 -1.05 -1.26 -5.01 118.70 114.94 1xsb s GLU 109 Ca 0.61 2.00 0.02 0.00 -0.15 0.00 0.00 54.97 57.45 1xsb s GLU 109 Cb -0.73 -2.31 0.05 0.00 -0.44 0.00 0.00 34.13 30.70 1xsb s GLU 109 CO 0.60 -0.89 -0.13 0.42 0.95 0.00 0.00 175.26 176.21 1xsb s ILE 110 N -1.43 2.03 -0.30 1.83 -1.09 -1.25 -4.44 121.20 116.55 1xsb s ILE 110 Ca 0.68 -1.35 -0.08 0.00 -2.23 0.00 0.00 60.65 57.67 1xsb s ILE 110 Cb -0.34 -2.07 0.01 0.00 -1.58 0.00 0.00 42.46 38.48 1xsb s ILE 110 CO 0.41 0.14 0.10 -0.13 -1.23 0.00 0.00 174.94 174.23 1xsb s ARG 111 N 1.21 3.13 -0.17 2.79 0.52 2.15 -4.88 118.95 123.70 1xsb s ARG 111 Ca -0.04 -0.84 -0.09 0.00 -0.52 0.00 0.00 55.73 54.25 1xsb s ARG 111 Cb -0.18 -3.43 -0.05 0.00 0.52 0.00 0.00 34.95 31.82 1xsb s ARG 111 CO -0.08 -0.45 0.12 -0.51 0.02 0.00 0.00 175.30 174.40 1xsb s LEU 112 N 1.52 4.17 0.85 2.53 1.43 -1.26 0.48 118.68 128.40 1xsb s LEU 112 Ca 0.03 0.26 -0.13 0.00 -1.03 0.00 0.00 54.13 53.26 1xsb s LEU 112 Cb -0.17 -2.06 0.11 0.00 0.03 0.00 0.00 46.19 44.11 1xsb s LEU 112 CO 0.03 0.24 1.22 -0.94 0.23 0.00 0.00 176.35 177.13 1xsb s SER 113 N -0.00 4.10 0.51 2.29 1.04 -1.26 -4.81 113.70 115.57 1xsb s SER 113 Ca 0.09 0.65 0.28 0.00 0.48 0.00 0.00 55.95 57.45 1xsb s SER 113 Cb -0.11 -1.02 1.40 0.00 0.10 0.00 0.00 66.02 66.38 1xsb s SER 113 CO -0.00 -2.15 1.90 -0.74 0.98 0.00 0.00 173.24 173.22 1xsb h HIS 114 N -1.23 0.10 -0.38 5.02 2.76 -1.98 0.41 115.15 119.85 1xsb h HIS 114 Ca -0.46 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 57.70 1xsb h HIS 114 Cb 1.30 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 30.21 1xsb h HIS 114 CO -0.09 0.02 0.18 0.93 -1.30 0.00 0.00 177.93 177.68 1xsb h GLU 115 N 0.07 0.52 -6.02 5.26 5.08 -1.95 -3.40 114.58 114.13 1xsb h GLU 115 Ca 0.41 -0.05 -0.68 0.00 -1.00 0.00 0.00 59.36 58.04 1xsb h GLU 115 Cb 1.53 -0.11 -0.23 0.00 0.50 0.00 0.00 28.75 30.44 1xsb h GLU 115 CO -0.04 0.40 -0.75 -1.01 -1.00 0.00 0.00 179.01 176.61 1xsb s HIS 116 N -5.33 2.77 -0.13 4.33 3.76 0.14 0.30 115.29 121.14 1xsb s HIS 116 Ca -0.08 -0.25 0.11 0.00 -0.15 0.00 0.00 55.06 54.69 1xsb s HIS 116 Cb 0.17 -1.70 -0.16 0.00 1.11 0.00 0.00 32.58 32.00 1xsb s HIS 116 CO 0.74 0.11 0.03 0.00 -0.85 0.00 0.00 174.74 174.77 1xsb n GLN 117 N 2.63 1.77 -3.75 1.40 10.64 0.51 -4.08 117.38 126.49 1xsb n GLN 117 Ca -0.18 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 54.89 1xsb n GLN 117 Cb 0.52 -1.34 -0.07 0.00 -0.86 0.00 0.00 30.24 28.50 1xsb n GLN 117 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1xsb s ALA 118 N -2.32 -0.64 0.11 2.61 0.00 -1.24 -4.97 121.76 115.32 1xsb s ALA 118 Ca -0.08 -0.15 0.03 0.00 0.00 0.00 0.00 51.96 51.77 1xsb s ALA 118 Cb 0.04 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 1xsb s ALA 118 CO 0.52 -0.49 -0.09 1.52 0.00 0.00 0.00 175.76 177.23 1xsb s TYR 119 N -3.15 1.03 0.03 0.00 1.13 -1.26 0.34 117.35 115.47 1xsb s TYR 119 Ca -0.01 -0.76 0.00 0.00 -1.41 0.00 0.00 57.07 54.89 1xsb s TYR 119 Cb 0.01 -0.56 -0.02 0.00 -1.10 0.00 0.00 41.96 40.29 1xsb s TYR 119 CO -0.07 -0.04 -0.04 1.03 -2.51 0.00 0.00 175.55 173.92 1xsb s ARG 120 N -3.32 0.37 -0.38 -3.49 0.52 -0.69 -4.96 118.95 107.00 1xsb s ARG 120 Ca 0.10 -0.67 -0.07 0.00 -0.52 0.00 0.00 55.73 54.56 1xsb s ARG 120 Cb 0.01 0.03 0.06 0.00 0.52 0.00 0.00 34.95 35.57 1xsb s ARG 120 CO -0.02 -0.03 0.18 -1.58 0.02 0.00 0.00 175.30 173.87 1xsb s TRP 121 N -1.57 3.31 0.39 -0.53 0.52 -1.26 -2.97 118.94 116.82 1xsb s TRP 121 Ca -0.13 -1.52 0.04 0.00 0.02 0.00 0.00 56.10 54.50 1xsb s TRP 121 Cb -0.09 -2.62 -0.04 0.00 -1.15 0.00 0.00 33.47 29.57 1xsb s TRP 121 CO -0.01 -0.79 0.07 -0.51 0.02 0.00 0.00 176.95 175.73 1xsb s LEU 122 N 1.40 2.19 0.00 2.99 1.02 -1.24 -4.91 118.68 120.13 1xsb s LEU 122 Ca 0.01 -1.52 -0.13 0.00 0.02 0.00 0.00 54.13 52.51 1xsb s LEU 122 Cb -0.21 -0.38 0.20 0.00 0.02 0.00 0.00 46.19 45.82 1xsb s LEU 122 CO 0.02 -0.74 1.22 0.61 0.02 0.00 0.00 176.35 177.48 1xsb n GLY 123 N -0.87 -1.05 0.37 -3.19 0.00 -1.26 -1.47 105.19 97.72 1xsb n GLY 123 Ca -0.06 -1.77 0.02 0.00 0.00 0.00 0.00 46.02 44.20 1xsb n GLY 123 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xsb h LEU 124 N 0.00 1.05 0.45 0.99 5.85 -1.82 0.45 115.31 122.29 1xsb h LEU 124 Ca -0.40 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 1xsb h LEU 124 Cb 1.15 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1xsb h LEU 124 CO 0.30 0.69 -0.23 1.05 -0.34 0.00 0.00 178.44 179.90 1xsb h GLU 125 N 1.20 -0.61 -0.16 1.25 4.11 -1.93 0.36 114.58 118.80 1xsb h GLU 125 Ca 0.42 0.04 -0.07 0.00 0.07 0.00 0.00 59.36 59.83 1xsb h GLU 125 Cb 0.12 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1xsb h GLU 125 CO -0.16 -0.41 -0.16 0.93 0.07 0.00 0.00 179.01 179.29 1xsb h GLU 126 N -0.63 0.39 -0.83 1.06 3.07 -1.86 0.78 114.58 116.55 1xsb h GLU 126 Ca -0.06 -0.20 0.19 0.00 -0.50 0.00 0.00 59.36 58.78 1xsb h GLU 126 Cb 0.50 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.36 1xsb h GLU 126 CO 0.09 0.76 0.56 0.00 -1.40 0.00 0.00 179.01 179.02 1xsb h ALA 127 N 0.62 2.23 0.05 3.43 0.00 -0.03 0.47 119.26 126.03 1xsb h ALA 127 Ca 0.03 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 1xsb h ALA 127 Cb 0.69 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.46 1xsb h ALA 127 CO 0.04 -0.48 -0.70 0.00 0.00 0.00 0.00 179.25 178.11 1xsb h GLN 129 N -0.18 0.33 -0.46 0.00 -0.00 0.37 -1.94 115.11 113.23 1xsb h GLN 129 Ca -0.10 -0.02 -0.09 0.00 -0.00 0.00 0.00 58.65 58.43 1xsb h GLN 129 Cb 1.45 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.48 28.84 1xsb h GLN 129 CO 0.14 0.22 -0.08 -0.07 -0.00 0.00 0.00 178.83 179.04 1xsb h LEU 130 N 0.34 0.86 -5.07 0.06 3.38 -0.31 -3.15 115.31 111.42 1xsb h LEU 130 Ca 0.18 -0.35 -0.44 0.00 0.09 0.00 0.00 57.88 57.36 1xsb h LEU 130 Cb 0.12 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.65 1xsb h LEU 130 CO -0.15 1.00 2.56 0.00 0.09 0.00 0.00 178.44 181.94 1xsb n ALA 131 N -2.46 5.77 -0.42 1.53 0.00 -0.44 -3.99 120.51 120.50 1xsb n ALA 131 Ca -0.00 -2.41 0.36 0.00 0.00 0.00 0.00 53.44 51.39 1xsb n ALA 131 Cb 0.36 -3.01 0.61 0.00 0.00 0.00 0.00 19.45 17.42 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 3.71 -0.04 -1.68 0.00 0.00 -1.19 -4.27 117.38 113.91 1xsb n GLN 132 Ca 0.54 1.17 -0.44 0.00 0.00 0.00 0.00 57.00 58.28 1xsb n GLN 132 Cb 0.26 -2.28 -0.03 0.00 0.00 0.00 0.00 30.24 28.18 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 -4.63 2.53 -0.29 2.61 3.01 -1.26 -4.85 117.46 114.57 1xsb n PHE 133 Ca 0.37 -0.10 -0.02 0.00 1.01 0.00 0.00 57.45 58.71 1xsb n PHE 133 Cb 1.41 -2.71 0.11 0.00 -0.01 0.00 0.00 39.48 38.28 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 8.55 0.96 -0.59 -1.08 3.64 -1.97 -2.20 116.57 123.88 1xsb h LYS 134 Ca -0.47 -0.06 0.09 0.00 -1.27 0.00 0.00 60.65 58.95 1xsb h LYS 134 Cb 1.24 -0.22 -0.07 0.00 -0.41 0.00 0.00 32.23 32.77 1xsb h LYS 134 CO 0.94 0.63 0.21 0.93 -2.27 0.00 0.00 179.45 179.89 1xsb h GLU 135 N 0.99 0.37 -0.38 1.90 3.07 -1.90 0.03 114.58 118.65 1xsb h GLU 135 Ca 0.33 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 59.07 1xsb h GLU 135 Cb 0.05 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 1xsb h GLU 135 CO -0.13 0.24 -0.16 0.52 -1.40 0.00 0.00 179.01 178.08 1xsb h MET 136 N 0.38 0.70 -0.21 2.33 2.86 -1.72 0.26 114.93 119.52 1xsb h MET 136 Ca 0.30 -0.24 0.05 0.00 -2.06 0.00 0.00 59.70 57.74 1xsb h MET 136 Cb 0.37 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.93 1xsb h MET 136 CO -0.31 0.82 -0.09 0.87 1.06 0.00 0.00 176.91 179.26 1xsb h LYS 137 N 0.62 -0.06 -0.42 1.72 6.56 -0.45 1.35 116.57 125.90 1xsb h LYS 137 Ca 0.10 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.63 1xsb h LYS 137 Cb 0.63 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.28 1xsb h LYS 137 CO 0.04 -0.04 0.03 0.00 -2.06 0.00 0.00 179.45 177.42 1xsb h ALA 138 N 1.13 0.56 -0.63 3.86 0.00 -0.85 3.50 119.26 126.83 1xsb h ALA 138 Ca 0.11 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1xsb h ALA 138 Cb 0.23 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1xsb h ALA 138 CO -0.25 0.32 0.36 0.00 0.00 0.00 0.00 179.25 179.68 1xsb h ALA 139 N 0.91 0.83 -0.04 0.00 0.00 0.50 5.95 119.26 127.41 1xsb h ALA 139 Ca 0.12 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.85 1xsb h ALA 139 Cb 0.44 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1xsb h ALA 139 CO 0.02 0.06 -0.78 -0.07 0.00 0.00 0.00 179.25 178.48 1xsb h LEU 140 N 0.68 0.38 0.02 0.00 3.38 0.22 -1.48 115.31 118.53 1xsb h LEU 140 Ca 0.27 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xsb h LEU 140 Cb 0.12 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1xsb h LEU 140 CO -0.15 1.02 -0.01 1.56 0.09 0.00 0.00 178.44 180.95 1xsb h GLN 141 N 0.20 -0.03 -0.74 1.13 1.08 0.85 -2.56 115.11 115.04 1xsb h GLN 141 Ca -0.04 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.11 1xsb h GLN 141 Cb 1.36 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.77 1xsb h GLN 141 CO 0.13 0.69 0.27 1.49 -0.95 0.00 0.00 178.83 180.45 1xsb h GLU 142 N -0.92 1.13 -0.25 1.46 4.57 1.20 0.16 114.58 121.93 1xsb h GLU 142 Ca -0.00 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 57.95 1xsb h GLU 142 Cb 0.73 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 1xsb h GLU 142 CO 0.01 0.95 0.15 0.78 -1.18 0.00 0.00 179.01 179.71 1xsb h GLY 143 N 1.09 0.35 1.03 1.92 0.00 -1.31 -1.42 103.07 104.73 1xsb h GLY 143 Ca 0.24 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 1xsb h GLY 143 CO -0.01 0.14 0.36 0.84 0.00 0.00 0.00 176.54 177.87 1xsb h HIS 144 N 0.31 1.15 -0.78 5.60 -0.00 -1.06 -1.87 115.15 118.51 1xsb h HIS 144 Ca 0.09 -0.06 0.07 0.00 -0.00 0.00 0.00 60.37 60.46 1xsb h HIS 144 Cb 0.00 -0.35 -0.06 0.00 -0.00 0.00 0.00 27.41 27.00 1xsb h HIS 144 CO -0.05 0.85 0.45 0.37 -0.00 0.00 0.00 177.93 179.55 1xsb h GLN 145 N 1.12 0.79 -0.05 5.26 5.75 -0.04 -1.79 115.11 126.16 1xsb h GLN 145 Ca 0.27 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.69 1xsb h GLN 145 Cb 0.14 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 28.52 1xsb h GLN 145 CO -0.03 0.52 -0.07 0.35 -2.65 0.00 0.00 178.83 176.95 1xsb h PHE 146 N 0.81 0.17 -0.81 3.99 3.04 -0.87 -3.11 116.94 120.16 1xsb h PHE 146 Ca 0.35 -0.06 0.15 0.00 3.98 0.00 0.00 57.97 62.40 1xsb h PHE 146 Cb 0.22 -0.03 -0.06 0.00 2.56 0.00 0.00 35.95 38.64 1xsb h PHE 146 CO -0.06 0.64 0.54 -0.07 -2.02 0.00 0.00 178.31 177.34 1xsb h LEU 147 N -0.35 0.47 -0.25 0.59 3.38 -1.07 1.30 115.31 119.38 1xsb h LEU 147 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xsb h LEU 147 Cb 0.62 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1xsb h LEU 147 CO 0.02 0.24 0.00 0.00 0.09 0.00 0.00 178.44 178.78 1xsb n SER 149 N -1.79 0.56 0.00 0.00 2.88 0.44 -3.96 113.62 111.75 1xsb n SER 149 Ca 0.03 -0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.25 1xsb n SER 149 Cb 0.21 0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 1xsb n SER 149 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1xsb n ILE 150 N -1.40 0.00 1.32 2.46 5.41 -0.84 -4.89 119.36 121.43 1xsb n ILE 150 Ca 0.06 0.00 0.13 0.00 1.00 0.00 0.00 62.75 63.95 1xsb n ILE 150 Cb 0.34 0.00 0.38 0.00 -0.71 0.00 0.00 39.64 39.64 1xsb n ILE 150 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1xsb n GLU 151 N 0.00 1.67 0.05 0.38 0.28 -1.26 -4.12 120.64 117.63 1xsb n GLU 151 Ca 0.00 -1.11 0.03 0.00 -0.16 0.00 0.00 57.16 55.92 1xsb n GLU 151 Cb 0.00 -1.48 0.42 0.00 1.43 0.00 0.00 31.44 31.81 1xsb n GLU 151 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xsb h ALA 152 N 4.31 1.64 0.00 -1.84 0.00 -1.83 -3.52 119.26 118.02 1xsb h ALA 152 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xsb h ALA 152 Cb 0.63 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1xsb h ALA 152 CO 0.00 0.29 0.00 -0.11 0.00 0.00 0.00 179.25 179.43