#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 0.28 -2.79 1.61 -0.04 -1.26 -4.74 135.00 128.06 1xsb n PRO 2 Ca 0.00 0.11 -0.41 0.00 -0.04 0.00 0.00 63.50 63.15 1xsb n PRO 2 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 1xsb n PRO 2 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1xsb s LEU 3 N -2.56 4.40 0.00 1.53 2.96 -1.26 -3.27 118.68 120.48 1xsb s LEU 3 Ca 0.18 1.60 0.00 0.00 -0.22 0.00 0.00 54.13 55.69 1xsb s LEU 3 Cb 0.13 -3.47 0.00 0.00 0.50 0.00 0.00 46.19 43.34 1xsb s LEU 3 CO 0.29 -0.17 0.00 0.61 -1.32 0.00 0.00 176.35 175.75 1xsb n GLY 4 N 2.75 0.25 0.18 7.98 0.00 -1.26 -4.89 105.19 110.21 1xsb n GLY 4 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 1xsb n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xsb n SER 5 N 0.00 0.67 -4.97 1.61 7.64 -1.20 -4.86 113.62 112.51 1xsb n SER 5 Ca 0.00 -0.83 -0.20 0.00 1.01 0.00 0.00 58.87 58.85 1xsb n SER 5 Cb 0.00 -0.02 0.07 0.00 -1.01 0.00 0.00 64.21 63.25 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 -2.34 2.17 0.51 1.43 0.00 -1.26 -5.00 119.30 114.80 1xsb s MET 6 Ca 0.32 -1.58 0.00 0.00 0.00 0.00 0.00 55.69 54.43 1xsb s MET 6 Cb 0.20 -2.59 0.00 0.00 0.00 0.00 0.00 34.83 32.44 1xsb s MET 6 CO 0.44 -0.99 0.00 0.00 0.00 0.00 0.00 175.02 174.47 1xsb n ALA 7 N -2.36 -3.28 -2.81 4.11 0.00 -1.26 -4.85 120.51 110.06 1xsb n ALA 7 Ca 0.16 0.76 -0.37 0.00 0.00 0.00 0.00 53.44 53.99 1xsb n ALA 7 Cb 0.61 -1.34 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 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 -6.85 4.39 0.08 0.00 1.02 0.11 -4.94 118.68 112.48 1xsb s LEU 8 Ca 0.00 0.54 -0.25 0.00 0.02 0.00 0.00 54.13 54.44 1xsb s LEU 8 Cb 0.00 -2.16 -0.06 0.00 0.02 0.00 0.00 46.19 43.99 1xsb s LEU 8 CO 0.00 0.38 0.78 -0.60 0.02 0.00 0.00 176.35 176.93 1xsb s ARG 9 N -0.94 4.53 0.06 1.70 3.52 -1.26 -0.81 118.95 125.74 1xsb s ARG 9 Ca 0.16 1.12 -0.06 0.00 -0.13 0.00 0.00 55.73 56.82 1xsb s ARG 9 Cb -0.13 -3.34 -0.01 0.00 -1.56 0.00 0.00 34.95 29.91 1xsb s ARG 9 CO 0.05 0.34 0.12 0.00 -0.81 0.00 0.00 175.30 175.00 1xsb s ALA 10 N -0.30 -0.03 -0.14 6.12 0.00 0.45 -3.42 121.76 124.44 1xsb s ALA 10 Ca 0.39 -0.71 -0.06 0.00 0.00 0.00 0.00 51.96 51.57 1xsb s ALA 10 Cb -0.21 0.36 0.06 0.00 0.00 0.00 0.00 23.12 23.33 1xsb s ALA 10 CO 0.24 -0.42 0.31 0.00 0.00 0.00 0.00 175.76 175.90 1xsb s GLY 12 N 2.05 2.83 -0.17 0.00 0.00 -1.07 -3.14 107.32 107.82 1xsb s GLY 12 Ca -0.03 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 43.88 1xsb s GLY 12 CO -0.10 -2.00 -0.14 1.08 0.00 0.00 0.00 173.10 171.95 1xsb s LEU 13 N -3.73 1.97 -0.83 0.66 1.43 -1.05 -3.98 118.68 113.14 1xsb s LEU 13 Ca 0.15 -0.66 -0.23 0.00 -1.03 0.00 0.00 54.13 52.36 1xsb s LEU 13 Cb 0.02 -1.25 0.06 0.00 0.03 0.00 0.00 46.19 45.05 1xsb s LEU 13 CO 0.09 -0.08 1.22 -0.63 0.23 0.00 0.00 176.35 177.19 1xsb s ILE 14 N 1.42 4.09 0.16 -0.59 1.01 -0.83 -4.51 121.20 121.95 1xsb s ILE 14 Ca 0.03 -0.44 -0.25 0.00 0.00 0.00 0.00 60.65 59.99 1xsb s ILE 14 Cb -0.14 -4.88 -0.08 0.00 0.01 0.00 0.00 42.46 37.37 1xsb s ILE 14 CO -0.10 -1.72 0.76 -0.63 0.00 0.00 0.00 174.94 173.24 1xsb s ILE 15 N 4.61 4.40 -0.04 2.92 1.01 -1.26 -0.40 121.20 132.44 1xsb s ILE 15 Ca 0.35 1.66 -0.02 0.00 0.00 0.00 0.00 60.65 62.64 1xsb s ILE 15 Cb -0.07 -4.12 0.03 0.00 0.01 0.00 0.00 42.46 38.31 1xsb s ILE 15 CO 0.03 0.53 0.05 0.72 0.00 0.00 0.00 174.94 176.26 1xsb s PHE 16 N -1.14 0.09 -0.38 3.97 -0.71 1.16 -2.03 117.98 118.95 1xsb s PHE 16 Ca 0.35 0.21 -0.22 0.00 -1.04 0.00 0.00 56.93 56.23 1xsb s PHE 16 Cb -0.23 -0.45 0.01 0.00 -1.21 0.00 0.00 43.02 41.15 1xsb s PHE 16 CO 0.26 -0.18 0.71 0.50 -1.34 0.00 0.00 175.22 175.17 1xsb s ARG 17 N 1.92 3.64 0.05 1.99 3.00 0.66 -3.91 118.95 126.28 1xsb s ARG 17 Ca 0.02 0.10 -0.24 0.00 -1.00 0.00 0.00 55.73 54.60 1xsb s ARG 17 Cb -0.12 -3.84 -0.06 0.00 0.00 0.00 0.00 34.95 30.93 1xsb s ARG 17 CO -0.03 -0.85 0.75 0.50 0.00 0.00 0.00 175.30 175.66 1xsb s ARG 18 N 2.95 4.48 -0.04 5.12 3.52 -1.26 -2.49 118.95 131.22 1xsb s ARG 18 Ca 0.28 1.04 -0.11 0.00 -0.13 0.00 0.00 55.73 56.80 1xsb s ARG 18 Cb -0.14 -3.35 -0.05 0.00 -1.56 0.00 0.00 34.95 29.85 1xsb s ARG 18 CO 0.17 0.31 0.29 0.00 -0.81 0.00 0.00 175.30 175.27 1xsb h LEU 20 N 4.74 0.51 -8.33 0.00 3.38 -1.96 -3.44 115.31 110.21 1xsb h LEU 20 Ca -0.53 0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.36 1xsb h LEU 20 Cb 1.22 -0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.83 1xsb h LEU 20 CO 0.60 0.25 -0.51 0.27 0.09 0.00 0.00 178.44 179.14 1xsb s ILE 21 N -6.01 0.07 0.77 1.22 -5.25 -1.26 -5.15 121.20 105.59 1xsb s ILE 21 Ca -0.12 -1.73 -0.14 0.00 -0.99 0.00 0.00 60.65 57.66 1xsb s ILE 21 Cb 0.20 -2.05 0.06 0.00 2.95 0.00 0.00 42.46 43.62 1xsb s ILE 21 CO 0.77 -0.32 1.23 -2.84 -1.79 0.00 0.00 174.94 171.99 1xsb s PRO 22 N -4.04 1.82 0.00 0.37 0.02 -1.26 -5.00 135.00 126.91 1xsb s PRO 22 Ca 0.24 1.83 0.00 0.00 0.02 0.00 0.00 61.00 63.09 1xsb s PRO 22 Cb 0.06 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.79 1xsb s PRO 22 CO 0.03 -2.09 0.00 1.63 -0.33 0.00 0.00 177.00 176.24 1xsb n LYS 23 N -3.00 0.00 0.00 5.54 4.76 -1.26 -4.80 118.16 119.40 1xsb n LYS 23 Ca 0.14 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.67 1xsb n LYS 23 Cb 0.50 0.00 0.47 0.00 -1.84 0.00 0.00 35.03 34.16 1xsb n LYS 23 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1xsb n VAL 24 N -1.00 0.23 -3.41 -0.18 0.31 -1.26 -4.84 118.33 108.19 1xsb n VAL 24 Ca 0.00 0.06 -0.19 0.00 -0.01 0.00 0.00 64.34 64.19 1xsb n VAL 24 Cb 0.00 -0.78 0.07 0.00 -0.91 0.00 0.00 33.84 32.22 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 -1.13 -4.73 0.00 4.52 10.43 -1.26 -4.91 116.55 119.47 1xsb n ASP 25 Ca 0.11 -0.50 0.00 0.00 2.57 0.00 0.00 54.79 56.97 1xsb n ASP 25 Cb 0.09 -4.54 0.00 0.00 1.84 0.00 0.00 41.12 38.51 1xsb n ASP 25 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1xsb n ASN 26 N -2.62 0.00 -4.26 -2.24 5.15 -1.26 -5.06 115.26 104.97 1xsb n ASN 26 Ca -0.07 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.55 1xsb n ASN 26 Cb 0.58 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.70 1xsb n ASN 26 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1xsb s ASN 27 N 1.00 4.74 0.50 1.20 2.47 -1.26 -4.96 114.94 118.63 1xsb s ASN 27 Ca 0.00 -0.85 0.26 0.00 0.42 0.00 0.00 52.86 52.69 1xsb s ASN 27 Cb 0.00 -1.77 1.34 0.00 -1.45 0.00 0.00 41.25 39.38 1xsb s ASN 27 CO 0.00 -0.17 2.03 0.00 -3.72 0.00 0.00 177.10 175.24 1xsb h ALA 28 N 8.11 1.26 -3.85 1.71 0.00 -1.97 -3.42 119.26 121.10 1xsb h ALA 28 Ca -0.31 -0.13 -0.69 0.00 0.00 0.00 0.00 54.91 53.78 1xsb h ALA 28 Cb 1.11 -0.02 -0.21 0.00 0.00 0.00 0.00 17.79 18.67 1xsb h ALA 28 CO 0.58 0.18 -0.74 0.42 0.00 0.00 0.00 179.25 179.70 1xsb s ILE 29 N -4.13 3.35 0.29 0.00 1.01 -1.26 -2.95 121.20 117.51 1xsb s ILE 29 Ca -0.02 -0.66 0.11 0.00 0.00 0.00 0.00 60.65 60.08 1xsb s ILE 29 Cb 0.13 -2.36 -0.05 0.00 0.01 0.00 0.00 42.46 40.19 1xsb s ILE 29 CO 0.60 0.56 -0.18 -1.61 0.00 0.00 0.00 174.94 174.31 1xsb s GLU 30 N -0.88 1.70 0.17 2.79 2.02 -1.04 -4.21 118.70 119.27 1xsb s GLU 30 Ca 0.13 -1.80 0.10 0.00 0.02 0.00 0.00 54.97 53.41 1xsb s GLU 30 Cb -0.11 -1.75 -0.04 0.00 0.10 0.00 0.00 34.13 32.33 1xsb s GLU 30 CO 0.02 0.29 -0.21 -0.06 0.02 0.00 0.00 175.26 175.32 1xsb s PHE 31 N -2.54 2.02 -0.11 1.61 0.08 -0.86 -0.25 117.98 117.95 1xsb s PHE 31 Ca 0.30 -0.42 -0.23 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 41.37 1xsb s PHE 31 CO 0.15 0.40 0.69 -1.17 -0.10 0.00 0.00 175.22 175.19 1xsb s LEU 32 N -2.63 4.27 -0.04 -0.37 2.96 -0.86 -3.64 118.68 118.36 1xsb s LEU 32 Ca 0.17 1.10 0.04 0.00 -0.22 0.00 0.00 54.13 55.23 1xsb s LEU 32 Cb -0.07 -3.05 -0.00 0.00 0.50 0.00 0.00 46.19 43.57 1xsb s LEU 32 CO 0.08 -0.17 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.00 1xsb s LEU 33 N 1.16 1.93 -0.07 -0.68 1.43 -1.07 -4.69 118.68 116.69 1xsb s LEU 33 Ca 0.35 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 1xsb s LEU 33 Cb -0.17 -0.97 -0.03 0.00 0.03 0.00 0.00 46.19 45.06 1xsb s LEU 33 CO 0.16 0.16 -0.08 -0.76 0.23 0.00 0.00 176.35 176.06 1xsb s LEU 34 N -0.01 3.09 0.48 1.79 1.43 -0.91 -1.59 118.68 122.96 1xsb s LEU 34 Ca -0.03 -0.06 -0.21 0.00 -1.03 0.00 0.00 54.13 52.80 1xsb s LEU 34 Cb -0.11 -1.67 -0.08 0.00 0.03 0.00 0.00 46.19 44.36 1xsb s LEU 34 CO 0.02 0.35 1.07 -1.58 0.23 0.00 0.00 176.35 176.44 1xsb s GLN 35 N -0.73 3.78 0.00 1.70 2.00 0.68 -1.75 119.66 125.35 1xsb s GLN 35 Ca 0.11 1.48 0.19 0.00 -2.00 0.00 0.00 55.36 55.14 1xsb s GLN 35 Cb -0.11 -2.19 0.94 0.00 0.80 0.00 0.00 33.01 32.45 1xsb s GLN 35 CO 0.01 -0.47 1.59 0.00 -0.50 0.00 0.00 175.29 175.92 1xsb n ALA 36 N -0.82 2.00 0.00 1.58 0.00 -0.63 -3.63 120.51 119.01 1xsb n ALA 36 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xsb n ALA 36 Cb 0.51 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.30 0.00 -2.43 0.00 3.41 -1.19 -4.52 113.62 107.58 1xsb n SER 37 Ca 0.09 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.61 1xsb n SER 37 Cb 0.16 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.09 1xsb n SER 37 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1xsb n ASP 38 N 1.10 1.49 0.00 4.04 5.68 -1.26 -4.92 116.55 122.68 1xsb n ASP 38 Ca 0.00 -1.70 0.00 0.00 -0.50 0.00 0.00 54.79 52.59 1xsb n ASP 38 Cb 0.00 0.26 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 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 1.91 -0.86 0.00 6.12 0.00 -1.26 -3.53 105.19 107.56 1xsb n GLY 39 Ca -0.03 -1.36 0.05 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.78 -0.61 -5.35 -1.26 -4.83 119.36 104.54 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 -0.54 0.05 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 -1.46 -3.51 4.28 8.25 -1.23 -5.04 115.22 115.71 1xsb n HIS 41 Ca 0.08 0.57 -0.20 0.00 -0.26 0.00 0.00 57.72 57.91 1xsb n HIS 41 Cb 0.03 -3.77 -0.02 0.00 1.12 0.00 0.00 29.99 27.35 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 -3.24 2.83 -0.09 4.41 -0.00 -1.26 -4.87 115.29 113.07 1xsb s HIS 42 Ca 0.12 -0.39 -0.04 0.00 -0.00 0.00 0.00 55.06 54.75 1xsb s HIS 42 Cb -0.02 -2.08 -0.04 0.00 -0.00 0.00 0.00 32.58 30.44 1xsb s HIS 42 CO 0.46 -0.08 0.08 -1.58 -0.00 0.00 0.00 174.74 173.63 1xsb s TRP 43 N -2.37 3.40 -0.04 0.38 0.52 -1.25 -1.61 118.94 117.97 1xsb s TRP 43 Ca 0.47 0.36 -0.21 0.00 0.02 0.00 0.00 56.10 56.75 1xsb s TRP 43 Cb -0.06 -1.86 0.04 0.00 -1.15 0.00 0.00 33.47 30.44 1xsb s TRP 43 CO 0.29 0.61 0.46 0.95 0.02 0.00 0.00 176.95 179.28 1xsb s THR 44 N -1.00 0.03 0.74 2.01 -4.23 -0.72 -4.51 115.64 107.97 1xsb s THR 44 Ca 0.15 -0.27 -0.12 0.00 -1.18 0.00 0.00 61.69 60.28 1xsb s THR 44 Cb -0.12 -0.76 0.04 0.00 1.34 0.00 0.00 72.50 73.00 1xsb s THR 44 CO 0.05 -0.15 1.09 -2.16 -0.54 0.00 0.00 174.62 172.91 1xsb s PRO 45 N -1.15 2.46 -0.38 3.99 0.04 -1.26 -2.14 135.00 136.56 1xsb s PRO 45 Ca -0.12 1.19 -0.27 0.00 0.04 0.00 0.00 61.00 61.85 1xsb s PRO 45 Cb -0.03 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.53 1xsb s PRO 45 CO 0.06 -1.49 2.33 -1.25 0.04 0.00 0.00 177.00 176.70 1xsb s PRO 46 N -4.74 2.51 0.19 0.56 0.04 -1.26 -4.88 135.00 127.42 1xsb s PRO 46 Ca 0.62 1.66 0.08 0.00 0.04 0.00 0.00 61.00 63.40 1xsb s PRO 46 Cb -0.17 -4.50 -0.05 0.00 0.04 0.00 0.00 34.50 29.82 1xsb s PRO 46 CO 0.53 -2.81 -0.15 -1.59 0.04 0.00 0.00 177.00 173.02 1xsb s LYS 47 N 7.50 1.29 0.06 4.56 -2.85 -1.26 -2.54 119.74 126.50 1xsb s LYS 47 Ca 0.99 -1.54 -0.01 0.00 -1.00 0.00 0.00 55.97 54.40 1xsb s LYS 47 Cb -0.23 -1.11 0.01 0.00 -2.06 0.00 0.00 37.83 34.44 1xsb s LYS 47 CO 0.30 0.19 0.10 0.41 0.10 0.00 0.00 175.35 176.45 1xsb n GLY 48 N -0.24 2.36 3.68 0.59 0.00 -1.19 -4.98 105.19 105.41 1xsb n GLY 48 Ca -0.09 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.36 1xsb n GLY 48 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xsb s HIS 49 N -6.44 3.20 -0.02 1.61 3.76 -1.26 -2.68 115.29 113.46 1xsb s HIS 49 Ca 0.04 0.17 -0.22 0.00 -0.15 0.00 0.00 55.06 54.90 1xsb s HIS 49 Cb -0.00 -1.84 -0.05 0.00 1.11 0.00 0.00 32.58 31.80 1xsb s HIS 49 CO 0.03 0.43 0.64 0.54 -0.85 0.00 0.00 174.74 175.53 1xsb s VAL 50 N -0.69 4.92 0.40 -0.90 0.11 -1.22 -4.91 120.40 118.12 1xsb s VAL 50 Ca 0.11 1.35 -0.07 0.00 -2.93 0.00 0.00 61.98 60.44 1xsb s VAL 50 Cb -0.12 -3.98 0.10 0.00 -1.53 0.00 0.00 36.38 30.85 1xsb s VAL 50 CO 0.02 0.36 0.30 1.21 -3.33 0.00 0.00 175.10 173.67 1xsb n GLU 51 N 3.04 -2.19 0.01 1.54 4.07 -1.26 -4.92 120.64 120.93 1xsb n GLU 51 Ca -0.05 -0.49 -0.01 0.00 -0.06 0.00 0.00 57.16 56.56 1xsb n GLU 51 Cb 0.51 -0.53 -0.00 0.00 -0.06 0.00 0.00 31.44 31.36 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 -0.04 -0.78 5.31 0.13 -1.99 -3.29 132.00 131.33 1xsb h PRO 52 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1xsb h PRO 52 Cb 0.39 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.53 1xsb h PRO 52 CO 0.08 -0.02 0.00 0.41 -0.23 0.00 0.00 178.00 178.23 1xsb n GLY 53 N 1.10 1.07 3.86 1.56 0.00 -1.26 -4.83 105.19 106.69 1xsb n GLY 53 Ca -0.00 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.26 3.93 0.73 1.61 2.12 -1.24 -5.06 118.70 119.52 1xsb s GLU 54 Ca 0.02 0.48 -0.11 0.00 0.36 0.00 0.00 54.97 55.72 1xsb s GLU 54 Cb 0.02 -2.67 0.03 0.00 0.26 0.00 0.00 34.13 31.77 1xsb s GLU 54 CO 0.01 0.31 1.07 0.34 -0.54 0.00 0.00 175.26 176.46 1xsb s ASP 55 N -2.14 5.02 -0.05 -1.70 2.15 -1.26 -4.74 116.67 113.94 1xsb s ASP 55 Ca 0.47 1.71 -0.25 0.00 0.43 0.00 0.00 52.55 54.91 1xsb s ASP 55 Cb -0.12 -2.51 -0.22 0.00 -0.30 0.00 0.00 42.92 39.77 1xsb s ASP 55 CO 0.20 -1.69 1.07 -2.24 -0.17 0.00 0.00 175.17 172.33 1xsb h ASP 56 N -0.86 0.15 -0.15 -0.34 2.03 -1.97 -2.94 116.42 112.34 1xsb h ASP 56 Ca -0.44 -0.72 -0.12 0.00 -0.73 0.00 0.00 57.03 55.02 1xsb h ASP 56 Cb 1.22 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 1xsb h ASP 56 CO 0.54 0.85 -0.39 0.25 -1.03 0.00 0.00 179.24 179.46 1xsb h LEU 57 N -0.54 0.61 -1.19 0.15 5.85 -1.97 -3.06 115.31 115.16 1xsb h LEU 57 Ca -0.01 -0.58 0.12 0.00 0.84 0.00 0.00 57.88 58.24 1xsb h LEU 57 Cb 0.85 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.64 1xsb h LEU 57 CO 0.03 1.08 0.58 -0.33 -0.34 0.00 0.00 178.44 179.46 1xsb h GLU 58 N 0.17 0.82 -0.81 1.25 3.07 -1.97 0.57 114.58 117.68 1xsb h GLU 58 Ca -0.01 -0.05 0.03 0.00 -0.50 0.00 0.00 59.36 58.84 1xsb h GLU 58 Cb 1.00 -0.19 -0.05 0.00 -0.84 0.00 0.00 28.75 28.68 1xsb h GLU 58 CO 0.09 0.54 0.52 1.15 -1.40 0.00 0.00 179.01 179.91 1xsb h THR 59 N 0.85 1.12 -0.40 1.13 2.02 -1.44 0.80 112.91 116.98 1xsb h THR 59 Ca 0.44 -0.35 -0.09 0.00 0.77 0.00 0.00 66.41 67.19 1xsb h THR 59 Cb 0.52 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1xsb h THR 59 CO -0.20 0.18 -0.08 0.00 0.37 0.00 0.00 175.52 175.79 1xsb h ALA 60 N 1.34 0.55 0.15 6.16 0.00 -0.17 0.50 119.26 127.79 1xsb h ALA 60 Ca 0.33 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1xsb h ALA 60 Cb 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xsb h ALA 60 CO -0.12 0.41 -0.07 -0.07 0.00 0.00 0.00 179.25 179.40 1xsb h LEU 61 N 0.58 -0.17 -0.59 0.00 3.38 0.13 0.69 115.31 119.34 1xsb h LEU 61 Ca 0.10 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1xsb h LEU 61 Cb 0.60 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1xsb h LEU 61 CO 0.04 -0.12 0.38 -0.09 0.09 0.00 0.00 178.44 178.73 1xsb h ARG 62 N -0.20 0.78 -0.21 1.13 2.43 0.65 -1.99 114.38 116.97 1xsb h ARG 62 Ca -0.02 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 58.99 1xsb h ARG 62 Cb 0.15 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1xsb h ARG 62 CO 0.03 0.54 -0.30 0.00 -1.51 0.00 0.00 179.97 178.72 1xsb h ALA 63 N 1.20 1.08 -0.51 2.80 0.00 -0.56 -0.21 119.26 123.06 1xsb h ALA 63 Ca 0.21 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1xsb h ALA 63 Cb -0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1xsb h ALA 63 CO -0.04 0.57 0.32 1.15 0.00 0.00 0.00 179.25 181.24 1xsb h THR 64 N 0.37 1.08 0.23 0.00 2.02 0.11 0.33 112.91 117.06 1xsb h THR 64 Ca 0.05 -0.22 -0.33 0.00 0.77 0.00 0.00 66.41 66.68 1xsb h THR 64 Cb 0.72 0.39 0.03 0.00 -1.74 0.00 0.00 68.15 67.55 1xsb h THR 64 CO 0.06 0.12 -1.48 0.06 0.37 0.00 0.00 175.52 174.64 1xsb h GLN 65 N 0.63 0.50 -0.60 6.66 3.07 -0.43 0.78 115.11 125.72 1xsb h GLN 65 Ca 0.20 -0.85 -0.05 0.00 0.09 0.00 0.00 58.65 58.04 1xsb h GLN 65 Cb -0.01 0.32 -0.03 0.00 0.08 0.00 0.00 27.48 27.84 1xsb h GLN 65 CO -0.08 1.40 0.16 0.93 0.09 0.00 0.00 178.83 181.33 1xsb h GLU 66 N 0.14 0.93 -0.38 0.06 4.39 -0.87 4.07 114.58 122.91 1xsb h GLU 66 Ca -0.25 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.26 1xsb h GLU 66 Cb 2.14 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.66 1xsb h GLU 66 CO 0.26 0.82 0.00 0.39 -1.16 0.00 0.00 179.01 179.32 1xsb n GLU 67 N -4.26 2.44 0.00 2.33 1.02 0.11 -3.83 120.64 118.46 1xsb n GLU 67 Ca 0.04 -2.24 0.00 0.00 -0.02 0.00 0.00 57.16 54.94 1xsb n GLU 67 Cb 0.23 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 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 1.41 0.10 -0.60 0.62 0.00 0.19 -4.34 120.51 117.89 1xsb n ALA 68 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1xsb n ALA 68 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.02 0.92 3.57 0.00 0.00 1.34 0.44 105.19 111.44 1xsb n GLY 69 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1xsb n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xsb s ILE 70 N -3.25 4.56 0.41 -0.61 1.01 -1.20 -4.77 121.20 117.35 1xsb s ILE 70 Ca 0.00 -0.11 0.07 0.00 0.00 0.00 0.00 60.65 60.61 1xsb s ILE 70 Cb 0.00 -3.07 -0.07 0.00 0.01 0.00 0.00 42.46 39.33 1xsb s ILE 70 CO 0.00 0.43 0.08 -1.83 0.00 0.00 0.00 174.94 173.62 1xsb s GLU 71 N 0.68 2.07 0.42 2.79 -1.05 -1.26 -0.67 118.70 121.68 1xsb s GLU 71 Ca 0.03 -1.99 0.20 0.00 -0.15 0.00 0.00 54.97 53.05 1xsb s GLU 71 Cb -0.13 -1.78 1.14 0.00 -0.44 0.00 0.00 34.13 32.92 1xsb s GLU 71 CO 0.02 -0.07 1.80 0.00 0.95 0.00 0.00 175.26 177.95 1xsb h ALA 72 N 1.64 2.31 0.00 -0.84 0.00 -1.84 3.07 119.26 123.59 1xsb h ALA 72 Ca -0.43 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1xsb h ALA 72 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xsb h ALA 72 CO 0.76 -0.68 0.00 0.41 0.00 0.00 0.00 179.25 179.74 1xsb n GLY 73 N -1.51 -1.04 0.00 0.00 0.00 -1.26 -2.03 105.19 99.35 1xsb n GLY 73 Ca 0.24 0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.42 1xsb n GLY 73 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1xsb n GLN 74 N -2.16 3.51 -4.39 1.61 -0.06 1.00 -5.02 117.38 111.88 1xsb n GLN 74 Ca 0.01 -0.02 -0.26 0.00 -2.00 0.00 0.00 57.00 54.73 1xsb n GLN 74 Cb 0.13 -0.94 -0.07 0.00 -4.06 0.00 0.00 30.24 25.30 1xsb n GLN 74 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 1xsb n LEU 75 N -1.31 0.00 -4.00 1.69 -0.00 0.38 -0.49 117.00 113.26 1xsb n LEU 75 Ca 0.01 -3.04 -0.30 0.00 -0.00 0.00 0.00 56.01 52.67 1xsb n LEU 75 Cb 0.14 0.87 -0.16 0.00 -0.00 0.00 0.00 43.42 44.27 1xsb n LEU 75 CO 0.16 -0.46 -0.46 -0.89 -0.00 0.00 0.00 177.39 175.74 1xsb s THR 76 N -2.99 1.65 -0.07 1.47 2.01 0.11 -4.72 115.64 113.09 1xsb s THR 76 Ca 0.16 -0.97 -0.27 0.00 0.31 0.00 0.00 61.69 60.91 1xsb s THR 76 Cb 0.01 -1.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.79 1xsb s THR 76 CO 0.11 0.21 0.88 -0.63 -0.69 0.00 0.00 174.62 174.50 1xsb s ILE 77 N 1.40 4.90 0.12 1.82 -1.09 -1.26 -1.34 121.20 125.75 1xsb s ILE 77 Ca -0.01 1.81 -0.23 0.00 -2.23 0.00 0.00 60.65 60.00 1xsb s ILE 77 Cb -0.16 -4.21 -0.07 0.00 -1.58 0.00 0.00 42.46 36.44 1xsb s ILE 77 CO -0.09 0.12 0.70 -0.63 -1.23 0.00 0.00 174.94 173.82 1xsb s ILE 78 N 1.39 4.55 0.09 2.92 1.09 0.11 -4.98 121.20 126.37 1xsb s ILE 78 Ca 0.45 1.51 0.01 0.00 -1.10 0.00 0.00 60.65 61.52 1xsb s ILE 78 Cb -0.19 -4.05 -0.04 0.00 -1.06 0.00 0.00 42.46 37.13 1xsb s ILE 78 CO 0.20 0.52 0.22 -1.61 -0.10 0.00 0.00 174.94 174.17 1xsb s GLU 79 N -0.99 3.37 0.00 2.79 2.02 -1.26 -4.41 118.70 120.22 1xsb s GLU 79 Ca 0.33 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.80 1xsb s GLU 79 Cb -0.21 -2.98 0.00 0.00 0.10 0.00 0.00 34.13 31.04 1xsb s GLU 79 CO 0.23 0.58 0.00 0.41 0.02 0.00 0.00 175.26 176.50 1xsb n GLY 80 N 0.04 3.04 3.38 -1.39 0.00 -1.26 -5.04 105.19 103.96 1xsb n GLY 80 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 1xsb n GLY 80 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xsb s PHE 81 N -2.73 2.92 -0.28 1.61 2.19 -1.26 -5.08 117.98 115.35 1xsb s PHE 81 Ca 0.00 -0.66 -0.11 0.00 0.33 0.00 0.00 56.93 56.49 1xsb s PHE 81 Cb 0.00 -1.97 0.11 0.00 -1.31 0.00 0.00 43.02 39.85 1xsb s PHE 81 CO 0.00 -0.29 0.62 0.21 1.83 0.00 0.00 175.22 177.59 1xsb s LYS 82 N 0.78 0.57 -0.08 10.12 2.20 -1.26 -4.60 119.74 127.47 1xsb s LYS 82 Ca -0.03 1.33 -0.06 0.00 -0.36 0.00 0.00 55.97 56.85 1xsb s LYS 82 Cb -0.15 0.62 0.03 0.00 -1.51 0.00 0.00 37.83 36.82 1xsb s LYS 82 CO 0.02 -0.19 0.21 0.50 -0.36 0.00 0.00 175.35 175.52 1xsb s ARG 83 N 2.54 0.21 -0.08 4.03 6.06 -1.25 -4.99 118.95 125.48 1xsb s ARG 83 Ca -0.06 0.36 0.01 0.00 -2.50 0.00 0.00 55.73 53.53 1xsb s ARG 83 Cb -0.10 0.02 -0.03 0.00 0.06 0.00 0.00 34.95 34.90 1xsb s ARG 83 CO -0.18 -0.08 -0.09 -1.83 -2.50 0.00 0.00 175.30 170.62 1xsb s GLU 84 N 0.53 2.82 -0.32 5.12 1.03 -1.24 -1.70 118.70 124.95 1xsb s GLU 84 Ca -0.03 -0.59 -0.13 0.00 0.03 0.00 0.00 54.97 54.24 1xsb s GLU 84 Cb -0.05 -2.57 -0.03 0.00 -0.80 0.00 0.00 34.13 30.68 1xsb s GLU 84 CO -0.03 0.58 0.26 -0.51 -1.33 0.00 0.00 175.26 174.23 1xsb s LEU 85 N -0.59 4.32 -0.20 1.83 1.43 0.20 -4.73 118.68 120.94 1xsb s LEU 85 Ca 0.09 -0.21 -0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1xsb s LEU 85 Cb -0.12 -2.19 0.02 0.00 0.03 0.00 0.00 46.19 43.93 1xsb s LEU 85 CO 0.02 -0.19 -0.14 0.20 0.23 0.00 0.00 176.35 176.46 1xsb s ASN 86 N 1.73 3.64 0.02 2.29 0.01 -1.26 -1.32 114.94 120.05 1xsb s ASN 86 Ca 0.08 -0.66 -0.17 0.00 -0.71 0.00 0.00 52.86 51.40 1xsb s ASN 86 Cb -0.17 -1.57 0.03 0.00 0.41 0.00 0.00 41.25 39.95 1xsb s ASN 86 CO 0.11 -0.03 0.38 -0.72 -1.51 0.00 0.00 177.10 175.32 1xsb s TYR 87 N 1.33 -0.23 -0.38 2.20 -0.85 -1.24 -4.91 117.35 113.27 1xsb s TYR 87 Ca 0.04 0.24 -0.07 0.00 -0.52 0.00 0.00 57.07 56.76 1xsb s TYR 87 Cb -0.14 0.17 0.07 0.00 0.38 0.00 0.00 41.96 42.43 1xsb s TYR 87 CO -0.09 -0.51 0.18 0.54 -1.52 0.00 0.00 175.55 174.15 1xsb s VAL 88 N -2.07 3.84 0.00 -3.49 0.11 -1.26 -2.47 120.40 115.05 1xsb s VAL 88 Ca -0.08 -1.42 0.00 0.00 -2.93 0.00 0.00 61.98 57.55 1xsb s VAL 88 Cb -0.02 -3.32 0.00 0.00 -1.53 0.00 0.00 36.38 31.50 1xsb s VAL 88 CO 0.00 -0.40 0.00 0.00 -3.33 0.00 0.00 175.10 171.37 1xsb n ALA 89 N 4.81 0.43 0.19 1.54 0.00 -1.25 -4.42 120.51 121.81 1xsb n ALA 89 Ca -0.10 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1xsb n ALA 89 Cb 0.43 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.90 1xsb n ALA 89 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1xsb n ARG 90 N -2.42 0.09 -0.46 0.00 1.85 -1.26 -4.56 116.66 109.90 1xsb n ARG 90 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1xsb n ARG 90 Cb 0.00 -1.09 0.00 0.00 -1.05 0.00 0.00 32.46 30.32 1xsb n ARG 90 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1xsb n ASN 91 N -0.59 -0.53 -3.68 2.89 2.85 -1.26 -5.07 115.26 109.86 1xsb n ASN 91 Ca 0.00 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.36 1xsb n ASN 91 Cb 0.00 -0.14 -0.12 0.00 1.24 0.00 0.00 39.78 40.76 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 -1.34 0.25 -0.10 1.20 2.47 -1.26 -5.08 119.74 115.88 1xsb s LYS 92 Ca 0.00 0.78 -0.30 0.00 -1.56 0.00 0.00 55.97 54.89 1xsb s LYS 92 Cb 0.00 0.04 -0.02 0.00 -1.46 0.00 0.00 37.83 36.39 1xsb s LYS 92 CO 0.00 -0.23 1.05 -1.25 0.16 0.00 0.00 175.35 175.08 1xsb s PRO 93 N 2.03 4.40 -0.16 4.03 0.04 -1.26 -3.78 135.00 140.30 1xsb s PRO 93 Ca -0.04 1.45 0.01 0.00 0.04 0.00 0.00 61.00 62.46 1xsb s PRO 93 Cb -0.11 -3.55 0.02 0.00 0.04 0.00 0.00 34.50 30.90 1xsb s PRO 93 CO -0.10 -0.35 -0.16 0.21 0.04 0.00 0.00 177.00 176.63 1xsb s LYS 94 N 2.08 2.53 -0.02 4.56 2.20 -1.03 0.04 119.74 130.10 1xsb s LYS 94 Ca 0.50 -0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 55.16 1xsb s LYS 94 Cb -0.20 -2.25 -0.03 0.00 -1.51 0.00 0.00 37.83 33.85 1xsb s LYS 94 CO 0.19 -0.21 0.99 0.99 -0.36 0.00 0.00 175.35 176.95 1xsb s THR 95 N 1.38 4.82 -0.19 3.43 2.01 0.01 -3.63 115.64 123.47 1xsb s THR 95 Ca 0.04 2.04 0.01 0.00 0.31 0.00 0.00 61.69 64.09 1xsb s THR 95 Cb -0.13 -4.31 0.03 0.00 0.01 0.00 0.00 72.50 68.11 1xsb s THR 95 CO -0.11 0.12 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.11 1xsb s VAL 96 N 1.26 1.86 -0.14 3.82 1.01 -0.43 -0.42 120.40 127.36 1xsb s VAL 96 Ca 0.51 -1.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 1xsb s VAL 96 Cb -0.21 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 1xsb s VAL 96 CO 0.26 0.31 0.36 -0.63 0.00 0.00 0.00 175.10 175.39 1xsb s ILE 97 N 1.33 5.26 -0.08 2.22 -1.09 -1.05 0.61 121.20 128.40 1xsb s ILE 97 Ca 0.01 0.69 0.04 0.00 -2.23 0.00 0.00 60.65 59.15 1xsb s ILE 97 Cb -0.15 -3.69 -0.01 0.00 -1.58 0.00 0.00 42.46 37.02 1xsb s ILE 97 CO -0.10 0.37 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.47 1xsb s TYR 98 N 0.48 2.58 -0.03 3.97 2.02 -0.69 -2.59 117.35 123.09 1xsb s TYR 98 Ca 0.20 -0.63 0.05 0.00 -0.37 0.00 0.00 57.07 56.31 1xsb s TYR 98 Cb -0.14 -1.67 -0.03 0.00 -0.40 0.00 0.00 41.96 39.73 1xsb s TYR 98 CO 0.06 -0.16 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.15 1xsb s TRP 99 N -0.11 2.66 0.13 2.71 0.51 -1.26 -3.75 118.94 119.84 1xsb s TRP 99 Ca -0.04 -0.19 -0.30 0.00 -2.12 0.00 0.00 56.10 53.45 1xsb s TRP 99 Cb -0.14 -1.59 -0.07 0.00 -0.81 0.00 0.00 33.47 30.87 1xsb s TRP 99 CO 0.04 0.19 1.07 -0.51 -0.51 0.00 0.00 176.95 177.23 1xsb s LEU 100 N -0.90 4.47 0.07 2.99 1.43 -1.26 -1.96 118.68 123.52 1xsb s LEU 100 Ca 0.12 1.97 0.03 0.00 -1.03 0.00 0.00 54.13 55.23 1xsb s LEU 100 Cb -0.11 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 1xsb s LEU 100 CO 0.02 -0.21 -0.09 0.00 0.23 0.00 0.00 176.35 176.29 1xsb s ALA 101 N 0.07 0.87 -0.12 4.21 0.00 0.46 0.09 121.76 127.33 1xsb s ALA 101 Ca 0.50 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1xsb s ALA 101 Cb -0.27 0.03 0.02 0.00 0.00 0.00 0.00 23.12 22.90 1xsb s ALA 101 CO 0.32 -0.03 -0.12 -2.00 0.00 0.00 0.00 175.76 173.94 1xsb s GLU 102 N -2.24 1.95 0.08 0.00 2.12 -0.45 0.37 118.70 120.52 1xsb s GLU 102 Ca -0.02 -0.43 -0.30 0.00 0.36 0.00 0.00 54.97 54.58 1xsb s GLU 102 Cb -0.06 -1.82 -0.06 0.00 0.26 0.00 0.00 34.13 32.45 1xsb s GLU 102 CO -0.00 -0.20 1.11 0.14 -0.54 0.00 0.00 175.26 175.77 1xsb s VAL 103 N 1.43 4.21 0.23 3.70 -7.23 -1.26 0.04 120.40 121.52 1xsb s VAL 103 Ca 0.02 1.67 -0.07 0.00 -1.81 0.00 0.00 61.98 61.78 1xsb s VAL 103 Cb -0.13 -4.07 0.20 0.00 0.56 0.00 0.00 36.38 32.94 1xsb s VAL 103 CO -0.07 0.18 1.87 0.11 -0.31 0.00 0.00 175.10 176.88 1xsb h LYS 104 N 6.31 1.02 -5.43 4.82 1.57 -1.12 -3.41 116.57 120.32 1xsb h LYS 104 Ca -0.42 -0.06 -0.60 0.00 -1.87 0.00 0.00 60.65 57.70 1xsb h LYS 104 Cb 1.21 -0.23 -0.10 0.00 0.08 0.00 0.00 32.23 33.19 1xsb h LYS 104 CO 0.77 0.68 -0.39 -0.51 -0.57 0.00 0.00 179.45 179.42 1xsb s ASP 105 N -5.87 6.36 0.21 0.86 -0.00 -1.26 -4.96 116.67 112.01 1xsb s ASP 105 Ca -0.13 0.41 -0.08 0.00 -0.00 0.00 0.00 52.55 52.75 1xsb s ASP 105 Cb 0.17 -2.14 0.15 0.00 -0.00 0.00 0.00 42.92 41.10 1xsb s ASP 105 CO 0.79 0.15 1.78 0.22 -0.00 0.00 0.00 175.17 178.11 1xsb h TYR 106 N 6.52 1.20 -0.49 4.23 3.20 -2.00 -0.81 116.97 128.83 1xsb h TYR 106 Ca -0.42 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.36 1xsb h TYR 106 Cb 1.16 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 39.07 1xsb h TYR 106 CO 0.60 0.91 0.00 -3.47 -1.64 0.00 0.00 178.16 174.56 1xsb n ASP 107 N -4.29 4.60 -4.08 -2.11 4.64 -1.26 -4.99 116.55 109.06 1xsb n ASP 107 Ca 0.07 -2.64 -0.39 0.00 -1.38 0.00 0.00 54.79 50.45 1xsb n ASP 107 Cb 0.18 -0.61 0.00 0.00 -1.04 0.00 0.00 41.12 39.65 1xsb n ASP 107 CO 0.00 0.00 0.00 0.55 -0.82 0.00 0.00 177.20 176.93 1xsb n VAL 108 N 0.63 0.42 -2.04 5.18 3.14 -0.31 -4.80 118.33 120.54 1xsb n VAL 108 Ca 0.22 -0.48 -0.37 0.00 -2.96 0.00 0.00 64.34 60.75 1xsb n VAL 108 Cb 0.94 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.74 1xsb n VAL 108 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1xsb s GLU 109 N -0.95 3.39 -0.25 1.45 -1.05 -1.26 -5.01 118.70 115.02 1xsb s GLU 109 Ca 0.56 1.96 0.02 0.00 -0.15 0.00 0.00 54.97 57.35 1xsb s GLU 109 Cb -0.57 -2.27 0.06 0.00 -0.44 0.00 0.00 34.13 30.92 1xsb s GLU 109 CO 0.61 -0.91 -0.09 0.42 0.95 0.00 0.00 175.26 176.24 1xsb s ILE 110 N -1.46 1.90 -0.29 1.83 -1.09 -1.25 -4.45 121.20 116.38 1xsb s ILE 110 Ca 0.69 -1.44 -0.08 0.00 -2.23 0.00 0.00 60.65 57.58 1xsb s ILE 110 Cb -0.33 -2.07 -0.01 0.00 -1.58 0.00 0.00 42.46 38.47 1xsb s ILE 110 CO 0.39 -0.04 0.12 -0.13 -1.23 0.00 0.00 174.94 174.05 1xsb s ARG 111 N 1.23 3.34 -0.12 2.79 0.52 1.53 -4.87 118.95 123.38 1xsb s ARG 111 Ca -0.07 -0.70 -0.06 0.00 -0.52 0.00 0.00 55.73 54.37 1xsb s ARG 111 Cb -0.19 -3.46 -0.04 0.00 0.52 0.00 0.00 34.95 31.78 1xsb s ARG 111 CO -0.06 -0.37 0.11 -0.51 0.02 0.00 0.00 175.30 174.49 1xsb s LEU 112 N 1.58 4.22 0.76 2.53 1.43 -1.26 0.54 118.68 128.49 1xsb s LEU 112 Ca 0.04 0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 53.49 1xsb s LEU 112 Cb -0.17 -2.02 0.13 0.00 0.03 0.00 0.00 46.19 44.16 1xsb s LEU 112 CO 0.05 0.40 1.06 -0.94 0.23 0.00 0.00 176.35 177.14 1xsb s SER 113 N -0.95 4.19 0.38 2.29 1.04 -1.25 -4.85 113.70 114.55 1xsb s SER 113 Ca 0.14 -0.06 0.15 0.00 0.48 0.00 0.00 55.95 56.66 1xsb s SER 113 Cb -0.12 -0.31 1.00 0.00 0.10 0.00 0.00 66.02 66.69 1xsb s SER 113 CO 0.03 -1.98 1.81 -0.74 0.98 0.00 0.00 173.24 173.34 1xsb h HIS 114 N -0.76 0.71 -0.13 5.02 2.76 -1.99 0.40 115.15 121.15 1xsb h HIS 114 Ca -0.40 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 57.82 1xsb h HIS 114 Cb 1.27 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 30.01 1xsb h HIS 114 CO -0.30 0.14 0.09 1.49 -1.30 0.00 0.00 177.93 178.05 1xsb h GLU 115 N 0.49 0.06 -6.63 5.26 4.81 -1.91 -3.42 114.58 113.25 1xsb h GLU 115 Ca 0.54 -0.00 -0.70 0.00 -0.13 0.00 0.00 59.36 59.07 1xsb h GLU 115 Cb 1.21 -0.01 -0.29 0.00 0.63 0.00 0.00 28.75 30.29 1xsb h GLU 115 CO -0.26 0.04 -0.89 -1.01 -0.73 0.00 0.00 179.01 176.16 1xsb s HIS 116 N -5.11 2.31 -0.01 0.92 3.76 0.14 -3.19 115.29 114.10 1xsb s HIS 116 Ca -0.05 -0.43 0.03 0.00 -0.15 0.00 0.00 55.06 54.45 1xsb s HIS 116 Cb 0.17 -1.46 -0.04 0.00 1.11 0.00 0.00 32.58 32.37 1xsb s HIS 116 CO 0.69 0.01 0.04 0.00 -0.85 0.00 0.00 174.74 174.62 1xsb n GLN 117 N 2.24 1.80 -3.83 1.40 10.64 -1.24 -3.94 117.38 124.44 1xsb n GLN 117 Ca -0.16 -0.01 -0.10 0.00 -1.83 0.00 0.00 57.00 54.89 1xsb n GLN 117 Cb 0.51 -1.07 -0.08 0.00 -0.86 0.00 0.00 30.24 28.75 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 -2.13 -0.39 0.08 2.61 0.00 -1.26 -4.98 121.76 115.69 1xsb s ALA 118 Ca -0.01 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.68 1xsb s ALA 118 Cb 0.01 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 1xsb s ALA 118 CO 0.11 -0.39 -0.06 1.52 0.00 0.00 0.00 175.76 176.95 1xsb s TYR 119 N -2.72 0.77 0.01 0.00 1.13 -1.26 0.25 117.35 115.53 1xsb s TYR 119 Ca -0.04 -0.89 -0.04 0.00 -1.41 0.00 0.00 57.07 54.70 1xsb s TYR 119 Cb -0.00 -0.47 -0.01 0.00 -1.10 0.00 0.00 41.96 40.38 1xsb s TYR 119 CO -0.05 -0.19 0.06 1.03 -2.51 0.00 0.00 175.55 173.90 1xsb s ARG 120 N -3.52 0.36 -0.38 -3.49 0.52 -0.62 -4.98 118.95 106.85 1xsb s ARG 120 Ca 0.08 -0.42 -0.08 0.00 -0.52 0.00 0.00 55.73 54.79 1xsb s ARG 120 Cb 0.04 0.14 0.06 0.00 0.52 0.00 0.00 34.95 35.71 1xsb s ARG 120 CO -0.05 -0.08 0.19 -1.58 0.02 0.00 0.00 175.30 173.80 1xsb s TRP 121 N -1.23 3.30 0.37 -0.53 0.52 -1.26 -2.61 118.94 117.50 1xsb s TRP 121 Ca -0.13 -1.43 0.03 0.00 0.02 0.00 0.00 56.10 54.59 1xsb s TRP 121 Cb -0.08 -2.61 -0.04 0.00 -1.15 0.00 0.00 33.47 29.59 1xsb s TRP 121 CO 0.00 -0.77 0.09 -0.51 0.02 0.00 0.00 176.95 175.78 1xsb s LEU 122 N 1.43 2.07 0.00 2.99 1.02 -1.24 -4.93 118.68 120.02 1xsb s LEU 122 Ca 0.01 -1.53 -0.10 0.00 0.02 0.00 0.00 54.13 52.54 1xsb s LEU 122 Cb -0.21 -0.25 0.14 0.00 0.02 0.00 0.00 46.19 45.89 1xsb s LEU 122 CO 0.03 -0.78 0.84 0.61 0.02 0.00 0.00 176.35 177.07 1xsb n GLY 123 N -0.81 -1.13 0.36 -3.19 0.00 -1.26 -2.03 105.19 97.13 1xsb n GLY 123 Ca -0.05 -1.73 -0.03 0.00 0.00 0.00 0.00 46.02 44.21 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 1.12 0.48 0.99 5.85 -1.93 0.50 115.31 122.32 1xsb h LEU 124 Ca -0.27 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 1xsb h LEU 124 Cb 0.77 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1xsb h LEU 124 CO 0.20 0.84 -0.24 1.05 -0.34 0.00 0.00 178.44 179.96 1xsb h GLU 125 N 1.29 -0.63 -0.26 1.25 4.11 -1.96 0.42 114.58 118.80 1xsb h GLU 125 Ca 0.34 0.04 -0.12 0.00 0.07 0.00 0.00 59.36 59.70 1xsb h GLU 125 Cb -0.09 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1xsb h GLU 125 CO -0.07 -0.42 -0.29 0.93 0.07 0.00 0.00 179.01 179.23 1xsb h GLU 126 N -0.65 0.66 -0.46 1.06 3.07 -1.89 0.64 114.58 117.02 1xsb h GLU 126 Ca -0.06 -0.36 0.09 0.00 -0.50 0.00 0.00 59.36 58.53 1xsb h GLU 126 Cb 0.50 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.41 1xsb h GLU 126 CO 0.10 0.97 0.32 0.00 -1.40 0.00 0.00 179.01 179.00 1xsb h ALA 127 N 0.68 2.15 0.24 3.43 0.00 0.12 0.44 119.26 126.32 1xsb h ALA 127 Ca 0.04 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.61 1xsb h ALA 127 Cb 0.86 -0.03 0.04 0.00 0.00 0.00 0.00 17.79 18.66 1xsb h ALA 127 CO 0.07 -0.26 -1.43 0.00 0.00 0.00 0.00 179.25 177.63 1xsb h GLN 129 N 0.08 0.33 -0.42 0.00 -0.00 0.23 -2.59 115.11 112.74 1xsb h GLN 129 Ca -0.25 -0.05 -0.11 0.00 -0.00 0.00 0.00 58.65 58.24 1xsb h GLN 129 Cb 2.11 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.48 29.51 1xsb h GLN 129 CO 0.26 0.33 -0.16 -0.07 -0.00 0.00 0.00 178.83 179.18 1xsb h LEU 130 N 0.25 0.88 -3.65 0.06 3.38 -0.33 -2.81 115.31 113.09 1xsb h LEU 130 Ca 0.08 -0.39 -0.13 0.00 0.09 0.00 0.00 57.88 57.53 1xsb h LEU 130 Cb 0.10 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 1xsb h LEU 130 CO -0.01 1.07 -0.23 0.00 0.09 0.00 0.00 178.44 179.36 1xsb n ALA 131 N -2.48 5.53 -0.24 1.53 0.00 -0.45 -3.89 120.51 120.51 1xsb n ALA 131 Ca -0.01 -1.20 0.27 0.00 0.00 0.00 0.00 53.44 52.49 1xsb n ALA 131 Cb 0.41 -1.84 0.41 0.00 0.00 0.00 0.00 19.45 18.43 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 2.10 0.01 -1.66 0.00 10.64 -1.06 -4.01 117.38 123.40 1xsb n GLN 132 Ca 0.28 0.88 -0.47 0.00 -1.83 0.00 0.00 57.00 55.86 1xsb n GLN 132 Cb 0.76 -2.17 -0.04 0.00 -0.86 0.00 0.00 30.24 27.93 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 -3.04 2.29 -0.36 2.61 3.01 -1.26 -4.81 117.46 115.89 1xsb n PHE 133 Ca 0.22 -0.06 0.08 0.00 1.01 0.00 0.00 57.45 58.70 1xsb n PHE 133 Cb 1.37 -2.69 0.25 0.00 -0.01 0.00 0.00 39.48 38.40 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 10.13 0.95 -0.89 -1.08 3.64 -1.96 -0.76 116.57 126.60 1xsb h LYS 134 Ca -0.47 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 58.89 1xsb h LYS 134 Cb 1.27 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 32.82 1xsb h LYS 134 CO 0.95 0.63 0.58 0.93 -2.27 0.00 0.00 179.45 180.27 1xsb h GLU 135 N 0.98 1.08 -0.07 1.90 3.07 -1.89 -1.58 114.58 118.06 1xsb h GLU 135 Ca 0.50 -0.06 -0.23 0.00 -0.50 0.00 0.00 59.36 59.07 1xsb h GLU 135 Cb 0.51 -0.24 0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1xsb h GLU 135 CO -0.27 0.71 -0.86 0.52 -1.40 0.00 0.00 179.01 177.72 1xsb h MET 136 N 1.11 0.61 -0.91 2.33 2.86 -1.47 -0.06 114.93 119.40 1xsb h MET 136 Ca 0.36 -0.56 0.08 0.00 -2.06 0.00 0.00 59.70 57.52 1xsb h MET 136 Cb 0.03 0.14 -0.06 0.00 0.06 0.00 0.00 31.60 31.76 1xsb h MET 136 CO -0.13 1.18 0.59 0.87 1.06 0.00 0.00 176.91 180.48 1xsb h LYS 137 N 0.39 0.94 -0.04 1.72 6.56 -0.64 0.76 116.57 126.26 1xsb h LYS 137 Ca -0.07 -0.06 -0.12 0.00 -1.06 0.00 0.00 60.65 59.34 1xsb h LYS 137 Cb 1.48 -0.21 0.01 0.00 -0.57 0.00 0.00 32.23 32.94 1xsb h LYS 137 CO 0.16 0.62 -0.46 0.00 -2.06 0.00 0.00 179.45 177.72 1xsb h ALA 138 N 1.53 0.11 -0.10 3.86 0.00 -1.16 0.11 119.26 123.62 1xsb h ALA 138 Ca 0.41 -0.51 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1xsb h ALA 138 Cb 0.31 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1xsb h ALA 138 CO -0.17 0.28 -0.01 0.00 0.00 0.00 0.00 179.25 179.35 1xsb h ALA 139 N 0.38 0.08 -0.10 0.00 0.00 0.03 1.56 119.26 121.21 1xsb h ALA 139 Ca -0.04 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1xsb h ALA 139 Cb 1.14 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1xsb h ALA 139 CO 0.09 -0.47 -0.19 -0.07 0.00 0.00 0.00 179.25 178.61 1xsb h LEU 140 N 0.02 0.15 0.10 0.00 3.38 0.44 0.31 115.31 119.72 1xsb h LEU 140 Ca 0.05 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xsb h LEU 140 Cb 0.06 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1xsb h LEU 140 CO -0.09 0.36 -0.05 1.56 0.09 0.00 0.00 178.44 180.31 1xsb h GLN 141 N 0.15 -0.13 -0.41 1.13 1.08 0.13 -2.67 115.11 114.39 1xsb h GLN 141 Ca 0.03 0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.15 1xsb h GLN 141 Cb 0.42 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 1xsb h GLN 141 CO 0.03 0.37 -0.11 0.93 -0.95 0.00 0.00 178.83 179.10 1xsb h GLU 142 N -0.74 0.74 -0.51 1.46 5.08 0.23 -0.61 114.58 120.23 1xsb h GLU 142 Ca -0.01 -0.24 0.04 0.00 -1.00 0.00 0.00 59.36 58.15 1xsb h GLU 142 Cb 0.56 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 1xsb h GLU 142 CO 0.02 0.83 0.26 0.78 -1.00 0.00 0.00 179.01 179.90 1xsb h GLY 143 N 0.97 0.71 0.97 -3.84 0.00 -0.99 0.44 103.07 101.33 1xsb h GLY 143 Ca 0.11 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.21 1xsb h GLY 143 CO 0.04 0.12 0.07 0.84 0.00 0.00 0.00 176.54 177.61 1xsb h HIS 144 N 0.51 0.83 -0.70 5.60 -0.00 -1.11 -1.24 115.15 119.04 1xsb h HIS 144 Ca 0.22 -0.12 -0.02 0.00 -0.00 0.00 0.00 60.37 60.46 1xsb h HIS 144 Cb 0.12 -0.23 -0.03 0.00 -0.00 0.00 0.00 27.41 27.27 1xsb h HIS 144 CO -0.10 0.77 0.38 0.37 -0.00 0.00 0.00 177.93 179.35 1xsb h GLN 145 N 0.64 0.98 0.24 5.26 5.75 -0.10 -1.14 115.11 126.74 1xsb h GLN 145 Ca 0.14 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 1xsb h GLN 145 Cb 0.40 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.76 1xsb h GLN 145 CO 0.01 0.74 -0.12 0.35 -2.65 0.00 0.00 178.83 177.17 1xsb h PHE 146 N 0.97 -0.30 -0.92 3.99 3.04 0.00 -2.90 116.94 120.82 1xsb h PHE 146 Ca 0.25 -0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.29 1xsb h PHE 146 Cb 0.05 0.10 -0.07 0.00 2.56 0.00 0.00 35.95 38.59 1xsb h PHE 146 CO -0.00 0.07 0.59 -0.07 -2.02 0.00 0.00 178.31 176.88 1xsb h LEU 147 N -0.87 0.83 -0.58 0.59 3.38 -1.23 0.68 115.31 118.10 1xsb h LEU 147 Ca -0.03 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xsb h LEU 147 Cb 0.51 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1xsb h LEU 147 CO 0.05 0.48 0.00 0.00 0.09 0.00 0.00 178.44 179.06 1xsb n SER 149 N -2.01 0.59 0.00 0.00 2.88 0.23 -4.81 113.62 110.50 1xsb n SER 149 Ca 0.02 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1xsb n SER 149 Cb 0.17 0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 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 -1.87 0.00 0.00 2.46 5.41 -0.65 -5.08 119.36 119.63 1xsb n ILE 150 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.79 1xsb n ILE 150 Cb 0.40 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.33 1xsb n ILE 150 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1xsb n GLU 151 N 0.00 0.00 -1.90 0.38 -0.58 -1.26 -5.06 120.64 112.22 1xsb n GLU 151 Ca 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.73 1xsb n GLU 151 Cb 0.00 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 30.92 1xsb n GLU 151 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xsb n ALA 152 N -3.00 -0.02 0.36 0.62 0.00 -1.26 -5.02 120.51 112.19 1xsb n ALA 152 Ca 0.00 -0.39 0.04 0.00 0.00 0.00 0.00 53.44 53.09 1xsb n ALA 152 Cb 0.00 -0.61 0.04 0.00 0.00 0.00 0.00 19.45 18.88 1xsb n ALA 152 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39