#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 3.61 0.34 1.61 0.04 -1.26 -4.93 135.00 134.41 1xsb s PRO 2 Ca 0.00 1.49 0.05 0.00 0.04 0.00 0.00 61.00 62.59 1xsb s PRO 2 Cb 0.00 -2.08 0.70 0.00 0.04 0.00 0.00 34.50 33.16 1xsb s PRO 2 CO 0.00 -0.61 1.90 1.25 0.04 0.00 0.00 177.00 179.58 1xsb h LEU 3 N 1.45 0.74 -2.00 -3.56 5.85 -2.04 0.15 115.31 115.90 1xsb h LEU 3 Ca -0.50 0.02 0.16 0.00 0.84 0.00 0.00 57.88 58.40 1xsb h LEU 3 Cb 1.24 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 1xsb h LEU 3 CO 0.58 0.44 0.40 1.23 -0.34 0.00 0.00 178.44 180.75 1xsb h GLY 4 N 0.82 0.00 0.00 3.75 0.00 -2.02 -3.43 103.07 102.20 1xsb h GLY 4 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1xsb h GLY 4 CO -0.17 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.11 1xsb n SER 5 N -4.33 -1.14 -4.81 0.19 2.88 0.53 -4.86 113.62 102.07 1xsb n SER 5 Ca 0.10 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.27 1xsb n SER 5 Cb 0.63 -1.88 -0.06 0.00 -0.75 0.00 0.00 64.21 62.15 1xsb n SER 5 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1xsb s MET 6 N -0.85 3.96 0.00 -1.46 1.75 -1.26 -4.93 119.30 116.50 1xsb s MET 6 Ca 0.00 0.24 0.00 0.00 -1.25 0.00 0.00 55.69 54.68 1xsb s MET 6 Cb 0.00 -3.29 0.00 0.00 2.84 0.00 0.00 34.83 34.38 1xsb s MET 6 CO 0.00 0.55 0.00 0.00 -0.65 0.00 0.00 175.02 174.92 1xsb n ALA 7 N 2.45 0.00 -2.83 4.11 0.00 -1.26 -4.95 120.51 118.02 1xsb n ALA 7 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.94 1xsb n ALA 7 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.91 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 -3.48 4.21 -0.05 0.00 1.02 -0.19 -4.99 118.68 115.20 1xsb s LEU 8 Ca 0.00 0.38 -0.25 0.00 0.02 0.00 0.00 54.13 54.28 1xsb s LEU 8 Cb 0.00 -2.02 -0.04 0.00 0.02 0.00 0.00 46.19 44.15 1xsb s LEU 8 CO 0.00 0.38 0.76 -0.60 0.02 0.00 0.00 176.35 176.90 1xsb s ARG 9 N -0.85 4.46 0.05 1.70 3.52 -1.26 -2.06 118.95 124.52 1xsb s ARG 9 Ca 0.14 0.99 -0.02 0.00 -0.13 0.00 0.00 55.73 56.70 1xsb s ARG 9 Cb -0.12 -3.45 -0.03 0.00 -1.56 0.00 0.00 34.95 29.79 1xsb s ARG 9 CO 0.03 0.05 0.01 0.00 -0.81 0.00 0.00 175.30 174.58 1xsb s ALA 10 N 0.82 0.31 -0.11 6.12 0.00 -0.47 -3.44 121.76 124.99 1xsb s ALA 10 Ca 0.40 -0.99 -0.04 0.00 0.00 0.00 0.00 51.96 51.33 1xsb s ALA 10 Cb -0.18 0.27 0.05 0.00 0.00 0.00 0.00 23.12 23.26 1xsb s ALA 10 CO 0.20 -0.35 0.23 0.00 0.00 0.00 0.00 175.76 175.84 1xsb s GLY 12 N 1.96 2.83 -0.18 0.00 0.00 -1.02 -3.07 107.32 107.83 1xsb s GLY 12 Ca -0.02 -0.96 0.01 0.00 0.00 0.00 0.00 44.72 43.74 1xsb s GLY 12 CO -0.08 -2.14 -0.14 -2.27 0.00 0.00 0.00 173.10 168.47 1xsb s LEU 13 N -3.87 2.10 -0.57 0.66 0.20 -1.04 -3.95 118.68 112.20 1xsb s LEU 13 Ca 0.16 -0.71 -0.25 0.00 0.69 0.00 0.00 54.13 54.01 1xsb s LEU 13 Cb 0.03 -1.29 0.04 0.00 -0.43 0.00 0.00 46.19 44.54 1xsb s LEU 13 CO 0.09 -0.08 1.03 -0.63 -0.29 0.00 0.00 176.35 176.47 1xsb s ILE 14 N 1.38 4.25 -0.04 6.68 1.01 -0.67 -4.31 121.20 129.51 1xsb s ILE 14 Ca 0.02 0.47 -0.13 0.00 0.00 0.00 0.00 60.65 61.01 1xsb s ILE 14 Cb -0.14 -4.62 -0.05 0.00 0.01 0.00 0.00 42.46 37.66 1xsb s ILE 14 CO -0.10 -1.22 0.35 -0.63 0.00 0.00 0.00 174.94 173.34 1xsb s ILE 15 N 4.33 5.14 -0.07 2.92 1.01 -1.26 0.92 121.20 134.20 1xsb s ILE 15 Ca 0.34 0.71 -0.01 0.00 0.00 0.00 0.00 60.65 61.69 1xsb s ILE 15 Cb -0.11 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 38.74 1xsb s ILE 15 CO 0.21 0.57 -0.01 0.72 0.00 0.00 0.00 174.94 176.42 1xsb s PHE 16 N -0.90 0.73 -0.38 3.97 -0.71 1.83 -1.71 117.98 120.79 1xsb s PHE 16 Ca 0.22 -0.21 -0.24 0.00 -1.04 0.00 0.00 56.93 55.65 1xsb s PHE 16 Cb -0.16 -0.79 0.01 0.00 -1.21 0.00 0.00 43.02 40.88 1xsb s PHE 16 CO 0.11 -0.30 0.86 0.50 -1.34 0.00 0.00 175.22 175.04 1xsb s ARG 17 N 1.69 3.74 0.11 1.99 3.00 0.34 -3.90 118.95 125.91 1xsb s ARG 17 Ca 0.01 0.38 -0.19 0.00 -1.00 0.00 0.00 55.73 54.93 1xsb s ARG 17 Cb -0.13 -3.83 -0.07 0.00 0.00 0.00 0.00 34.95 30.93 1xsb s ARG 17 CO -0.04 -0.95 0.59 0.50 0.00 0.00 0.00 175.30 175.40 1xsb s ARG 18 N 3.34 4.18 0.17 5.12 3.52 -1.26 -2.26 118.95 131.77 1xsb s ARG 18 Ca 0.35 0.72 -0.07 0.00 -0.13 0.00 0.00 55.73 56.60 1xsb s ARG 18 Cb -0.12 -3.15 -0.06 0.00 -1.56 0.00 0.00 34.95 30.06 1xsb s ARG 18 CO 0.19 0.58 0.45 0.00 -0.81 0.00 0.00 175.30 175.71 1xsb h LEU 20 N 2.75 0.62 -8.25 0.00 3.38 -1.97 -3.43 115.31 108.41 1xsb h LEU 20 Ca -0.46 0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.43 1xsb h LEU 20 Cb 1.17 -0.05 -0.15 0.00 0.09 0.00 0.00 40.66 41.71 1xsb h LEU 20 CO 0.71 0.33 -0.68 0.27 0.09 0.00 0.00 178.44 179.16 1xsb s ILE 21 N -6.01 0.28 0.73 1.22 -4.36 -1.26 -5.07 121.20 106.72 1xsb s ILE 21 Ca -0.12 -1.76 -0.16 0.00 -0.26 0.00 0.00 60.65 58.35 1xsb s ILE 21 Cb 0.20 -1.45 0.04 0.00 1.25 0.00 0.00 42.46 42.49 1xsb s ILE 21 CO 0.78 -0.94 1.25 -2.65 0.24 0.00 0.00 174.94 173.62 1xsb n PRO 22 N 0.20 0.65 0.00 0.37 -0.02 -1.26 -4.99 135.00 129.94 1xsb n PRO 22 Ca -0.14 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1xsb n PRO 22 Cb 0.61 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1xsb n PRO 22 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1xsb n LYS 23 N -2.59 0.00 -0.21 -0.52 4.01 -1.26 -4.85 118.16 112.74 1xsb n LYS 23 Ca 0.15 0.00 0.08 0.00 -0.51 0.00 0.00 58.31 58.02 1xsb n LYS 23 Cb 0.49 0.00 0.22 0.00 -0.51 0.00 0.00 35.03 35.23 1xsb n LYS 23 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1xsb n VAL 24 N -0.95 0.54 -3.62 -0.18 0.31 -1.26 -4.90 118.33 108.27 1xsb n VAL 24 Ca 0.00 -0.57 -0.23 0.00 -0.01 0.00 0.00 64.34 63.53 1xsb n VAL 24 Cb 0.00 0.33 0.07 0.00 -0.91 0.00 0.00 33.84 33.33 1xsb n VAL 24 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1xsb n ASP 25 N 0.76 -4.90 0.01 4.52 10.43 -1.26 -4.59 116.55 121.53 1xsb n ASP 25 Ca 0.15 -0.61 0.00 0.00 2.57 0.00 0.00 54.79 56.90 1xsb n ASP 25 Cb 0.38 -4.82 0.00 0.00 1.84 0.00 0.00 41.12 38.52 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 -3.02 -0.24 -0.55 -2.24 2.85 -1.26 -4.91 115.26 105.90 1xsb n ASN 26 Ca -0.07 0.12 0.03 0.00 -0.11 0.00 0.00 54.58 54.55 1xsb n ASN 26 Cb 0.59 0.40 0.10 0.00 1.24 0.00 0.00 39.78 42.11 1xsb n ASN 26 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1xsb n ASN 27 N -2.33 1.51 -0.19 1.20 6.94 -1.26 -4.14 115.26 116.98 1xsb n ASN 27 Ca 0.00 -2.08 0.15 0.00 -0.02 0.00 0.00 54.58 52.63 1xsb n ASN 27 Cb 0.00 -0.27 0.48 0.00 -2.36 0.00 0.00 39.78 37.64 1xsb n ASN 27 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xsb h ALA 28 N 3.14 2.07 -3.48 -2.53 0.00 -1.92 -3.39 119.26 113.15 1xsb h ALA 28 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 1xsb h ALA 28 Cb 0.48 -0.07 -0.29 0.00 0.00 0.00 0.00 17.79 17.91 1xsb h ALA 28 CO 0.04 -0.28 -0.81 0.42 0.00 0.00 0.00 179.25 178.62 1xsb s ILE 29 N -5.46 2.68 0.19 0.00 1.01 -1.26 -2.92 121.20 115.44 1xsb s ILE 29 Ca -0.08 -0.81 0.11 0.00 0.00 0.00 0.00 60.65 59.87 1xsb s ILE 29 Cb 0.21 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 1xsb s ILE 29 CO 0.77 0.55 -0.20 -1.61 0.00 0.00 0.00 174.94 174.45 1xsb s GLU 30 N 0.17 1.66 0.14 2.79 2.02 -0.96 -3.97 118.70 120.56 1xsb s GLU 30 Ca -0.10 -1.46 0.10 0.00 0.02 0.00 0.00 54.97 53.52 1xsb s GLU 30 Cb -0.16 -1.93 -0.04 0.00 0.10 0.00 0.00 34.13 32.11 1xsb s GLU 30 CO 0.06 0.41 -0.19 -0.06 0.02 0.00 0.00 175.26 175.50 1xsb s PHE 31 N -1.70 2.49 -0.08 1.61 0.08 -0.75 0.12 117.98 119.76 1xsb s PHE 31 Ca 0.22 -0.28 -0.28 0.00 0.12 0.00 0.00 56.93 56.71 1xsb s PHE 31 Cb -0.08 -1.30 -0.02 0.00 -0.57 0.00 0.00 43.02 41.05 1xsb s PHE 31 CO 0.11 0.41 0.90 -1.17 -0.10 0.00 0.00 175.22 175.38 1xsb s LEU 32 N -2.30 4.28 -0.04 -0.37 2.96 -0.70 -3.88 118.68 118.64 1xsb s LEU 32 Ca 0.19 1.42 0.04 0.00 -0.22 0.00 0.00 54.13 55.56 1xsb s LEU 32 Cb -0.10 -3.40 -0.00 0.00 0.50 0.00 0.00 46.19 43.19 1xsb s LEU 32 CO 0.10 -0.32 -0.14 -0.76 -1.32 0.00 0.00 176.35 173.91 1xsb s LEU 33 N 1.51 1.87 -0.04 -0.68 1.43 -1.19 -4.54 118.68 117.05 1xsb s LEU 33 Ca 0.45 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.26 1xsb s LEU 33 Cb -0.19 -0.83 -0.03 0.00 0.03 0.00 0.00 46.19 45.17 1xsb s LEU 33 CO 0.20 0.13 -0.03 -0.76 0.23 0.00 0.00 176.35 176.11 1xsb s LEU 34 N 0.08 3.38 -0.21 1.79 1.43 -0.94 -2.08 118.68 122.13 1xsb s LEU 34 Ca -0.03 0.01 -0.13 0.00 -1.03 0.00 0.00 54.13 52.95 1xsb s LEU 34 Cb -0.10 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.24 1xsb s LEU 34 CO 0.02 0.33 0.26 -1.58 0.23 0.00 0.00 176.35 175.61 1xsb s GLN 35 N -1.12 4.15 0.40 1.70 0.74 1.18 -1.95 119.66 124.76 1xsb s GLN 35 Ca 0.15 -0.05 -0.25 0.00 0.05 0.00 0.00 55.36 55.26 1xsb s GLN 35 Cb -0.11 -3.51 -0.08 0.00 1.10 0.00 0.00 33.01 30.41 1xsb s GLN 35 CO 0.05 0.08 1.17 0.00 -0.55 0.00 0.00 175.29 176.04 1xsb s ALA 36 N 0.97 3.16 -1.67 1.58 0.00 -1.07 0.42 121.76 125.15 1xsb s ALA 36 Ca 0.13 0.96 0.29 0.00 0.00 0.00 0.00 51.96 53.34 1xsb s ALA 36 Cb -0.14 -3.38 1.18 0.00 0.00 0.00 0.00 23.12 20.79 1xsb s ALA 36 CO 0.05 -0.52 1.83 -1.13 0.00 0.00 0.00 175.76 175.99 1xsb n SER 37 N 0.09 0.53 -4.34 0.00 3.41 -1.11 -4.48 113.62 107.72 1xsb n SER 37 Ca 0.04 -0.61 -0.17 0.00 -0.26 0.00 0.00 58.87 57.86 1xsb n SER 37 Cb 0.46 -0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 64.26 1xsb n SER 37 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xsb s ASP 38 N -2.47 1.88 0.00 4.04 -0.00 -1.26 -4.97 116.67 113.89 1xsb s ASP 38 Ca 0.29 -1.23 0.00 0.00 -0.00 0.00 0.00 52.55 51.61 1xsb s ASP 38 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 42.92 43.12 1xsb s ASP 38 CO 0.48 -0.51 0.00 0.61 -0.00 0.00 0.00 175.17 175.74 1xsb n GLY 39 N -0.44 -1.62 0.00 0.21 0.00 -1.26 -3.46 105.19 98.62 1xsb n GLY 39 Ca -0.05 -1.37 0.04 0.00 0.00 0.00 0.00 46.02 44.64 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 -3.03 -0.61 -5.35 -1.26 -4.78 119.36 104.33 1xsb n ILE 40 Ca 0.00 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.36 1xsb n ILE 40 Cb 0.00 -0.43 0.04 0.00 -1.74 0.00 0.00 39.64 37.50 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 -0.72 -1.42 -1.16 4.28 8.25 -1.23 -4.99 115.22 118.24 1xsb n HIS 41 Ca 0.06 0.49 -0.31 0.00 -0.26 0.00 0.00 57.72 57.70 1xsb n HIS 41 Cb 0.03 -3.00 0.11 0.00 1.12 0.00 0.00 29.99 28.25 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 -3.14 2.34 -0.14 4.41 -3.43 -1.26 -4.51 115.29 109.56 1xsb s HIS 42 Ca 0.29 1.61 -0.04 0.00 -0.80 0.00 0.00 55.06 56.11 1xsb s HIS 42 Cb -0.13 -3.13 -0.03 0.00 -1.43 0.00 0.00 32.58 27.86 1xsb s HIS 42 CO 0.35 -2.05 0.02 -1.58 -2.00 0.00 0.00 174.74 169.48 1xsb s TRP 43 N -2.79 3.17 0.03 0.38 0.52 -1.25 -2.60 118.94 116.39 1xsb s TRP 43 Ca 0.63 0.03 -0.15 0.00 0.02 0.00 0.00 56.10 56.63 1xsb s TRP 43 Cb -0.19 -1.94 0.02 0.00 -1.15 0.00 0.00 33.47 30.21 1xsb s TRP 43 CO 0.55 0.23 0.32 0.95 0.02 0.00 0.00 176.95 179.03 1xsb s THR 44 N -0.12 0.07 0.65 2.01 -4.23 -0.82 -4.38 115.64 108.82 1xsb s THR 44 Ca 0.05 -0.59 -0.15 0.00 -1.18 0.00 0.00 61.69 59.81 1xsb s THR 44 Cb -0.12 -0.85 -0.01 0.00 1.34 0.00 0.00 72.50 72.86 1xsb s THR 44 CO 0.02 -0.33 1.10 -2.16 -0.54 0.00 0.00 174.62 172.72 1xsb s PRO 45 N -2.19 2.88 -0.72 3.99 0.04 -1.26 -2.20 135.00 135.53 1xsb s PRO 45 Ca -0.07 1.38 -0.37 0.00 0.04 0.00 0.00 61.00 61.97 1xsb s PRO 45 Cb -0.02 -1.96 -0.20 0.00 0.04 0.00 0.00 34.50 32.36 1xsb s PRO 45 CO -0.01 -1.18 2.41 -2.30 0.04 0.00 0.00 177.00 175.96 1xsb n PRO 46 N -2.33 0.08 -4.14 0.56 -0.02 -1.26 -4.77 135.00 123.12 1xsb n PRO 46 Ca 0.10 0.01 -0.35 0.00 -2.02 0.00 0.00 63.50 61.24 1xsb n PRO 46 Cb 0.52 -1.60 -0.08 0.00 -0.02 0.00 0.00 33.50 32.32 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 7.46 3.16 0.34 -0.52 1.02 -1.26 -2.51 119.74 127.43 1xsb s LYS 47 Ca 1.26 -0.33 -0.03 0.00 0.02 0.00 0.00 55.97 56.90 1xsb s LYS 47 Cb -1.32 -2.95 0.00 0.00 -0.52 0.00 0.00 37.83 33.04 1xsb s LYS 47 CO 0.56 0.72 0.47 0.20 -0.92 0.00 0.00 175.35 176.38 1xsb s GLY 48 N -1.14 1.46 -0.07 -3.33 0.00 -1.18 -4.98 107.32 98.08 1xsb s GLY 48 Ca 0.16 -1.50 0.01 0.00 0.00 0.00 0.00 44.72 43.39 1xsb s GLY 48 CO 0.06 -1.00 -0.09 0.30 0.00 0.00 0.00 173.10 172.37 1xsb s HIS 49 N -3.12 2.86 0.01 1.90 3.76 -1.26 -2.30 115.29 117.14 1xsb s HIS 49 Ca 0.30 -0.10 -0.19 0.00 -0.15 0.00 0.00 55.06 54.92 1xsb s HIS 49 Cb -0.00 -1.71 -0.06 0.00 1.11 0.00 0.00 32.58 31.92 1xsb s HIS 49 CO 0.20 0.23 0.56 0.54 -0.85 0.00 0.00 174.74 175.42 1xsb s VAL 50 N -0.63 4.90 0.62 -0.90 0.11 -1.22 -4.88 120.40 118.38 1xsb s VAL 50 Ca 0.09 1.18 -0.10 0.00 -2.93 0.00 0.00 61.98 60.22 1xsb s VAL 50 Cb -0.11 -3.89 0.15 0.00 -1.53 0.00 0.00 36.38 30.99 1xsb s VAL 50 CO 0.02 0.46 0.62 1.21 -3.33 0.00 0.00 175.10 174.07 1xsb n GLU 51 N 2.45 -1.74 0.00 1.54 4.07 -1.26 -4.93 120.64 120.77 1xsb n GLU 51 Ca -0.08 -0.97 0.00 0.00 -0.06 0.00 0.00 57.16 56.04 1xsb n GLU 51 Cb 0.51 -0.83 0.00 0.00 -0.06 0.00 0.00 31.44 31.06 1xsb n GLU 51 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1xsb n PRO 52 N -3.06 0.00 0.00 5.31 -0.04 -1.26 -3.55 135.00 132.40 1xsb n PRO 52 Ca 0.08 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 1xsb n PRO 52 Cb 0.31 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 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 0.76 1.45 3.87 0.55 0.00 -1.26 -4.83 105.19 105.74 1xsb n GLY 53 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.88 3.85 0.71 1.61 2.12 -1.23 -5.07 118.70 119.81 1xsb s GLU 54 Ca 0.00 0.37 -0.11 0.00 0.36 0.00 0.00 54.97 55.59 1xsb s GLU 54 Cb 0.00 -2.58 0.02 0.00 0.26 0.00 0.00 34.13 31.82 1xsb s GLU 54 CO 0.00 0.26 1.07 0.34 -0.54 0.00 0.00 175.26 176.39 1xsb s ASP 55 N -2.38 5.25 -0.07 -1.70 2.15 -1.26 -4.77 116.67 113.90 1xsb s ASP 55 Ca 0.49 1.49 -0.15 0.00 0.43 0.00 0.00 52.55 54.81 1xsb s ASP 55 Cb -0.11 -2.35 -0.11 0.00 -0.30 0.00 0.00 42.92 40.05 1xsb s ASP 55 CO 0.21 -1.51 0.59 0.44 -0.17 0.00 0.00 175.17 174.73 1xsb h ASP 56 N -0.77 -0.20 -0.60 -0.34 3.45 -1.97 -3.01 116.42 112.98 1xsb h ASP 56 Ca -0.45 -0.22 -0.04 0.00 0.43 0.00 0.00 57.03 56.75 1xsb h ASP 56 Cb 1.22 0.05 -0.03 0.00 -0.56 0.00 0.00 39.33 40.02 1xsb h ASP 56 CO 0.58 0.34 0.23 0.25 -1.57 0.00 0.00 179.24 179.07 1xsb h LEU 57 N -0.99 0.84 -0.98 1.55 5.85 -1.97 -2.54 115.31 117.08 1xsb h LEU 57 Ca -0.02 -0.18 0.13 0.00 0.84 0.00 0.00 57.88 58.64 1xsb h LEU 57 Cb 0.42 -0.22 -0.09 0.00 0.37 0.00 0.00 40.66 41.14 1xsb h LEU 57 CO 0.04 0.79 0.60 -0.33 -0.34 0.00 0.00 178.44 179.21 1xsb h GLU 58 N 0.84 0.91 -0.83 1.25 3.07 -1.97 0.44 114.58 118.28 1xsb h GLU 58 Ca 0.20 -0.05 0.04 0.00 -0.50 0.00 0.00 59.36 59.05 1xsb h GLU 58 Cb 0.22 -0.20 -0.05 0.00 -0.84 0.00 0.00 28.75 27.88 1xsb h GLU 58 CO -0.01 0.60 0.52 1.15 -1.40 0.00 0.00 179.01 179.87 1xsb h THR 59 N 0.94 1.09 -0.52 1.13 2.02 -1.31 0.58 112.91 116.84 1xsb h THR 59 Ca 0.49 -0.34 -0.09 0.00 0.77 0.00 0.00 66.41 67.24 1xsb h THR 59 Cb 0.52 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 1xsb h THR 59 CO -0.28 0.18 -0.03 0.00 0.37 0.00 0.00 175.52 175.76 1xsb h ALA 60 N 1.36 0.71 0.16 6.16 0.00 -0.31 0.86 119.26 128.20 1xsb h ALA 60 Ca 0.34 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xsb h ALA 60 Cb 0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xsb h ALA 60 CO -0.14 0.55 -0.10 -0.07 0.00 0.00 0.00 179.25 179.50 1xsb h LEU 61 N 0.81 -0.25 -0.59 0.00 3.38 0.15 0.76 115.31 119.57 1xsb h LEU 61 Ca 0.14 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1xsb h LEU 61 Cb 0.57 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1xsb h LEU 61 CO 0.03 -0.16 0.31 -0.09 0.09 0.00 0.00 178.44 178.63 1xsb h ARG 62 N -0.26 0.82 -0.17 1.13 2.43 0.19 -2.01 114.38 116.52 1xsb h ARG 62 Ca -0.02 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 58.97 1xsb h ARG 62 Cb 0.21 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1xsb h ARG 62 CO 0.02 0.64 -0.27 0.00 -1.51 0.00 0.00 179.97 178.85 1xsb h ALA 63 N 1.14 1.23 -0.45 2.80 0.00 -0.48 -0.53 119.26 122.97 1xsb h ALA 63 Ca 0.21 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1xsb h ALA 63 Cb 0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1xsb h ALA 63 CO -0.03 0.51 0.27 1.15 0.00 0.00 0.00 179.25 181.14 1xsb h THR 64 N 0.29 1.05 0.23 0.00 2.02 0.13 0.62 112.91 117.25 1xsb h THR 64 Ca 0.04 -0.18 -0.33 0.00 0.77 0.00 0.00 66.41 66.71 1xsb h THR 64 Cb 0.63 0.47 0.03 0.00 -1.74 0.00 0.00 68.15 67.54 1xsb h THR 64 CO 0.05 0.10 -1.48 -0.61 0.37 0.00 0.00 175.52 173.95 1xsb h GLN 65 N 0.54 0.50 -0.82 6.66 4.15 -0.55 0.35 115.11 125.94 1xsb h GLN 65 Ca 0.18 -0.85 -0.03 0.00 0.77 0.00 0.00 58.65 58.72 1xsb h GLN 65 Cb 0.01 0.32 -0.04 0.00 0.21 0.00 0.00 27.48 27.97 1xsb h GLN 65 CO -0.08 1.40 0.38 0.93 -1.93 0.00 0.00 178.83 179.54 1xsb h GLU 66 N 0.14 1.18 -0.04 1.69 4.39 -0.96 3.10 114.58 124.09 1xsb h GLU 66 Ca -0.25 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.27 1xsb h GLU 66 Cb 2.14 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 30.58 1xsb h GLU 66 CO 0.26 0.92 0.00 0.39 -1.16 0.00 0.00 179.01 179.42 1xsb n GLU 67 N -4.30 2.07 0.00 2.33 1.02 0.20 -4.28 120.64 117.67 1xsb n GLU 67 Ca 0.08 -1.82 0.00 0.00 -0.02 0.00 0.00 57.16 55.40 1xsb n GLU 67 Cb 0.15 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 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 1.24 0.33 -0.33 0.62 0.00 0.07 -4.21 120.51 118.24 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 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 0.14 1.11 3.53 0.00 0.00 1.03 0.48 105.19 111.49 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 -2.88 4.42 0.41 -0.61 1.01 -1.19 -4.75 121.20 117.61 1xsb s ILE 70 Ca 0.00 -0.15 0.07 0.00 0.00 0.00 0.00 60.65 60.57 1xsb s ILE 70 Cb 0.00 -3.01 -0.07 0.00 0.01 0.00 0.00 42.46 39.39 1xsb s ILE 70 CO 0.00 0.42 0.06 -1.83 0.00 0.00 0.00 174.94 173.59 1xsb s GLU 71 N 0.83 2.03 0.40 2.79 -1.05 -1.26 -0.64 118.70 121.81 1xsb s GLU 71 Ca 0.03 -2.03 0.20 0.00 -0.15 0.00 0.00 54.97 53.02 1xsb s GLU 71 Cb -0.14 -1.74 1.17 0.00 -0.44 0.00 0.00 34.13 32.98 1xsb s GLU 71 CO 0.02 -0.06 1.73 0.00 0.95 0.00 0.00 175.26 177.90 1xsb h ALA 72 N 1.68 2.31 0.00 -0.84 0.00 -1.84 3.82 119.26 124.38 1xsb h ALA 72 Ca -0.44 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1xsb h ALA 72 Cb 1.24 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1xsb h ALA 72 CO 0.78 -0.78 0.00 0.78 0.00 0.00 0.00 179.25 180.03 1xsb h GLY 73 N 0.33 0.00 0.00 0.00 0.00 -1.98 -1.63 103.07 99.79 1xsb h GLY 73 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.98 1xsb h GLY 73 CO -0.35 0.00 -0.57 -1.06 0.00 0.00 0.00 176.54 174.56 1xsb n GLN 74 N -2.94 3.21 -3.72 4.80 6.02 1.24 -5.01 117.38 120.97 1xsb n GLN 74 Ca -0.02 -0.01 -0.18 0.00 -0.01 0.00 0.00 57.00 56.78 1xsb n GLN 74 Cb 0.10 -1.03 -0.05 0.00 1.02 0.00 0.00 30.24 30.27 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 -1.29 0.00 -3.95 1.08 -0.00 0.38 -0.58 117.00 112.63 1xsb n LEU 75 Ca 0.02 -2.22 -0.29 0.00 -0.00 0.00 0.00 56.01 53.52 1xsb n LEU 75 Cb 0.18 0.70 -0.16 0.00 -0.00 0.00 0.00 43.42 44.13 1xsb n LEU 75 CO 0.22 -0.34 -0.45 -0.89 -0.00 0.00 0.00 177.39 175.93 1xsb s THR 76 N -2.61 1.36 -0.12 1.47 2.01 0.16 -4.71 115.64 113.19 1xsb s THR 76 Ca 0.14 -0.67 -0.26 0.00 0.31 0.00 0.00 61.69 61.21 1xsb s THR 76 Cb 0.01 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 71.09 1xsb s THR 76 CO 0.10 0.26 0.82 -0.63 -0.69 0.00 0.00 174.62 174.49 1xsb s ILE 77 N 1.55 4.92 0.16 1.82 -1.09 -1.26 -1.13 121.20 126.16 1xsb s ILE 77 Ca 0.02 1.65 -0.22 0.00 -2.23 0.00 0.00 60.65 59.88 1xsb s ILE 77 Cb -0.14 -4.14 -0.08 0.00 -1.58 0.00 0.00 42.46 36.52 1xsb s ILE 77 CO -0.09 0.10 0.70 -0.63 -1.23 0.00 0.00 174.94 173.79 1xsb s ILE 78 N 1.68 4.53 0.11 2.92 1.09 0.48 -4.99 121.20 127.03 1xsb s ILE 78 Ca 0.40 1.44 0.02 0.00 -1.10 0.00 0.00 60.65 61.41 1xsb s ILE 78 Cb -0.17 -3.99 -0.04 0.00 -1.06 0.00 0.00 42.46 37.20 1xsb s ILE 78 CO 0.16 0.44 0.18 -1.61 -0.10 0.00 0.00 174.94 174.00 1xsb s GLU 79 N -1.39 3.19 0.00 2.79 2.02 -1.26 -4.45 118.70 119.60 1xsb s GLU 79 Ca 0.36 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.72 1xsb s GLU 79 Cb -0.20 -2.86 0.00 0.00 0.10 0.00 0.00 34.13 31.17 1xsb s GLU 79 CO 0.23 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.47 1xsb n GLY 80 N 0.02 2.84 3.46 -1.39 0.00 -1.26 -5.05 105.19 103.80 1xsb n GLY 80 Ca -0.07 0.00 -0.34 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 -2.60 3.01 -0.22 1.61 2.19 -1.26 -5.08 117.98 115.63 1xsb s PHE 81 Ca 0.00 -0.43 -0.13 0.00 0.33 0.00 0.00 56.93 56.71 1xsb s PHE 81 Cb 0.00 -2.01 0.07 0.00 -1.31 0.00 0.00 43.02 39.77 1xsb s PHE 81 CO 0.00 -0.16 0.54 0.21 1.83 0.00 0.00 175.22 177.65 1xsb s LYS 82 N 0.67 0.55 -0.26 10.12 2.20 -1.26 -4.60 119.74 127.16 1xsb s LYS 82 Ca -0.02 0.98 -0.23 0.00 -0.36 0.00 0.00 55.97 56.34 1xsb s LYS 82 Cb -0.14 0.07 0.07 0.00 -1.51 0.00 0.00 37.83 36.32 1xsb s LYS 82 CO 0.02 -0.15 0.68 0.50 -0.36 0.00 0.00 175.35 176.05 1xsb s ARG 83 N 1.43 0.79 -0.06 4.03 6.06 -1.25 -5.02 118.95 124.93 1xsb s ARG 83 Ca -0.09 0.97 0.05 0.00 -2.50 0.00 0.00 55.73 54.16 1xsb s ARG 83 Cb -0.07 0.37 -0.02 0.00 0.06 0.00 0.00 34.95 35.29 1xsb s ARG 83 CO -0.15 -0.10 -0.20 -1.83 -2.50 0.00 0.00 175.30 170.52 1xsb s GLU 84 N 0.47 2.57 -0.29 5.12 1.03 -1.24 -1.17 118.70 125.19 1xsb s GLU 84 Ca -0.01 -0.80 -0.16 0.00 0.03 0.00 0.00 54.97 54.03 1xsb s GLU 84 Cb -0.05 -2.29 -0.03 0.00 -0.80 0.00 0.00 34.13 30.97 1xsb s GLU 84 CO -0.01 0.48 0.42 -0.51 -1.33 0.00 0.00 175.26 174.31 1xsb s LEU 85 N -0.38 4.15 -0.17 1.83 1.43 0.29 -4.72 118.68 121.11 1xsb s LEU 85 Ca 0.03 0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.33 1xsb s LEU 85 Cb -0.12 -2.48 -0.00 0.00 0.03 0.00 0.00 46.19 43.62 1xsb s LEU 85 CO 0.02 -0.27 -0.13 0.20 0.23 0.00 0.00 176.35 176.40 1xsb s ASN 86 N 1.66 3.77 -0.08 2.29 0.01 -1.26 -0.83 114.94 120.51 1xsb s ASN 86 Ca 0.16 -0.46 -0.30 0.00 -0.71 0.00 0.00 52.86 51.56 1xsb s ASN 86 Cb -0.16 -1.60 0.11 0.00 0.41 0.00 0.00 41.25 40.01 1xsb s ASN 86 CO 0.11 0.06 0.88 -0.72 -1.51 0.00 0.00 177.10 175.92 1xsb s TYR 87 N 0.97 -0.43 -0.38 2.20 -0.85 -1.19 -4.93 117.35 112.74 1xsb s TYR 87 Ca -0.02 0.58 -0.08 0.00 -0.52 0.00 0.00 57.07 57.03 1xsb s TYR 87 Cb -0.15 0.48 0.06 0.00 0.38 0.00 0.00 41.96 42.73 1xsb s TYR 87 CO -0.02 -0.48 0.18 0.54 -1.52 0.00 0.00 175.55 174.25 1xsb s VAL 88 N -1.88 4.00 0.00 -3.49 0.11 -1.26 -1.80 120.40 116.08 1xsb s VAL 88 Ca -0.01 -1.27 0.00 0.00 -2.93 0.00 0.00 61.98 57.76 1xsb s VAL 88 Cb -0.01 -3.37 0.00 0.00 -1.53 0.00 0.00 36.38 31.48 1xsb s VAL 88 CO -0.01 -0.35 0.00 0.00 -3.33 0.00 0.00 175.10 171.42 1xsb n ALA 89 N 4.86 0.00 0.23 1.54 0.00 -1.25 -4.60 120.51 121.28 1xsb n ALA 89 Ca -0.11 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.18 1xsb n ALA 89 Cb 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.67 0.00 0.00 2.43 -2.05 -3.43 114.38 110.66 1xsb h ARG 90 Ca 0.00 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1xsb h ARG 90 Cb 0.00 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1xsb h ARG 90 CO 0.00 -0.44 0.00 -1.71 -1.51 0.00 0.00 179.97 176.31 1xsb n ASN 91 N -5.43 0.00 -3.83 -3.80 2.85 -1.26 -5.13 115.26 98.66 1xsb n ASN 91 Ca -0.10 -0.03 -0.20 0.00 -0.11 0.00 0.00 54.58 54.14 1xsb n ASN 91 Cb 0.34 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.19 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 0.58 -0.01 1.20 2.47 -1.26 -5.07 119.74 117.65 1xsb s LYS 92 Ca 0.00 0.03 -0.30 0.00 -1.56 0.00 0.00 55.97 54.13 1xsb s LYS 92 Cb 0.00 -0.76 -0.04 0.00 -1.46 0.00 0.00 37.83 35.57 1xsb s LYS 92 CO 0.00 -0.17 1.10 -1.25 0.16 0.00 0.00 175.35 175.19 1xsb s PRO 93 N 1.29 4.45 -0.15 4.03 0.04 -1.26 -3.81 135.00 139.60 1xsb s PRO 93 Ca -0.06 1.58 0.02 0.00 0.04 0.00 0.00 61.00 62.58 1xsb s PRO 93 Cb -0.13 -3.46 0.02 0.00 0.04 0.00 0.00 34.50 30.96 1xsb s PRO 93 CO -0.02 -0.24 -0.19 0.21 0.04 0.00 0.00 177.00 176.80 1xsb s LYS 94 N 1.44 2.75 -0.25 4.56 2.20 -0.75 -1.02 119.74 128.68 1xsb s LYS 94 Ca 0.54 -0.75 -0.23 0.00 -0.36 0.00 0.00 55.97 55.18 1xsb s LYS 94 Cb -0.24 -2.32 -0.01 0.00 -1.51 0.00 0.00 37.83 33.75 1xsb s LYS 94 CO 0.26 -0.11 0.74 0.99 -0.36 0.00 0.00 175.35 176.86 1xsb s THR 95 N 1.07 4.91 -0.21 3.43 2.01 -0.87 -3.15 115.64 122.83 1xsb s THR 95 Ca -0.02 1.37 -0.02 0.00 0.31 0.00 0.00 61.69 63.32 1xsb s THR 95 Cb -0.14 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.34 1xsb s THR 95 CO -0.06 -0.02 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.06 1xsb s VAL 96 N 2.67 2.95 -0.20 3.82 1.01 -0.01 -1.37 120.40 129.26 1xsb s VAL 96 Ca 0.31 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.52 1xsb s VAL 96 Cb -0.15 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 1xsb s VAL 96 CO 0.08 0.46 0.28 -0.63 0.00 0.00 0.00 175.10 175.29 1xsb s ILE 97 N 1.42 5.29 -0.10 2.22 -1.09 -1.09 0.11 121.20 127.95 1xsb s ILE 97 Ca 0.06 0.46 0.01 0.00 -2.23 0.00 0.00 60.65 58.95 1xsb s ILE 97 Cb -0.14 -3.61 -0.02 0.00 -1.58 0.00 0.00 42.46 37.11 1xsb s ILE 97 CO -0.06 0.33 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.52 1xsb s TYR 98 N 0.97 2.76 -0.01 3.97 2.02 -0.32 -2.43 117.35 124.30 1xsb s TYR 98 Ca 0.14 -0.52 0.04 0.00 -0.37 0.00 0.00 57.07 56.36 1xsb s TYR 98 Cb -0.14 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 39.62 1xsb s TYR 98 CO 0.05 -0.10 -0.12 -1.58 -1.57 0.00 0.00 175.55 172.22 1xsb s TRP 99 N 0.03 2.74 0.19 2.71 0.51 -1.25 -3.78 118.94 120.09 1xsb s TRP 99 Ca -0.05 -0.13 -0.30 0.00 -2.12 0.00 0.00 56.10 53.50 1xsb s TRP 99 Cb -0.14 -1.59 -0.08 0.00 -0.81 0.00 0.00 33.47 30.84 1xsb s TRP 99 CO 0.04 0.27 1.13 -0.51 -0.51 0.00 0.00 176.95 177.37 1xsb s LEU 100 N -1.10 4.48 0.06 2.99 1.43 -1.26 -1.66 118.68 123.63 1xsb s LEU 100 Ca 0.14 2.16 0.02 0.00 -1.03 0.00 0.00 54.13 55.42 1xsb s LEU 100 Cb -0.11 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 1xsb s LEU 100 CO 0.04 -0.26 -0.07 0.00 0.23 0.00 0.00 176.35 176.29 1xsb s ALA 101 N -0.32 0.66 -0.10 4.21 0.00 0.26 -0.39 121.76 126.09 1xsb s ALA 101 Ca 0.50 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1xsb s ALA 101 Cb -0.31 0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.94 1xsb s ALA 101 CO 0.36 -0.12 -0.09 -2.00 0.00 0.00 0.00 175.76 173.91 1xsb s GLU 102 N -2.46 1.60 0.07 0.00 2.12 -0.28 0.49 118.70 120.25 1xsb s GLU 102 Ca -0.02 -0.31 -0.30 0.00 0.36 0.00 0.00 54.97 54.69 1xsb s GLU 102 Cb -0.04 -1.54 -0.05 0.00 0.26 0.00 0.00 34.13 32.76 1xsb s GLU 102 CO -0.02 -0.18 1.06 0.14 -0.54 0.00 0.00 175.26 175.72 1xsb s VAL 103 N 1.38 4.38 0.23 3.70 -7.23 -1.26 0.36 120.40 121.95 1xsb s VAL 103 Ca -0.01 1.81 -0.07 0.00 -1.81 0.00 0.00 61.98 61.90 1xsb s VAL 103 Cb -0.14 -4.16 0.19 0.00 0.56 0.00 0.00 36.38 32.83 1xsb s VAL 103 CO -0.05 0.20 1.85 0.11 -0.31 0.00 0.00 175.10 176.90 1xsb h LYS 104 N 6.26 0.88 -5.43 4.82 1.57 -1.17 -3.41 116.57 120.08 1xsb h LYS 104 Ca -0.42 -0.05 -0.63 0.00 -1.87 0.00 0.00 60.65 57.68 1xsb h LYS 104 Cb 1.22 -0.20 -0.11 0.00 0.08 0.00 0.00 32.23 33.22 1xsb h LYS 104 CO 0.76 0.58 -0.50 0.34 -0.57 0.00 0.00 179.45 180.06 1xsb s ASP 105 N -5.75 6.17 0.20 0.86 3.68 -1.26 -4.97 116.67 115.60 1xsb s ASP 105 Ca -0.13 0.30 -0.09 0.00 2.13 0.00 0.00 52.55 54.76 1xsb s ASP 105 Cb 0.17 -2.05 0.13 0.00 -1.45 0.00 0.00 42.92 39.72 1xsb s ASP 105 CO 0.78 0.27 1.77 0.22 0.13 0.00 0.00 175.17 178.34 1xsb h TYR 106 N 6.01 1.09 -0.43 -5.34 3.20 -1.99 -0.84 116.97 118.67 1xsb h TYR 106 Ca -0.46 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.33 1xsb h TYR 106 Cb 1.18 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 39.12 1xsb h TYR 106 CO 0.64 0.83 0.00 -0.40 -1.64 0.00 0.00 178.16 177.59 1xsb n ASP 107 N -4.36 3.75 -3.85 -2.11 5.68 -1.26 -4.98 116.55 109.42 1xsb n ASP 107 Ca 0.06 -2.43 -0.39 0.00 -0.50 0.00 0.00 54.79 51.52 1xsb n ASP 107 Cb 0.17 -0.54 -0.01 0.00 -1.14 0.00 0.00 41.12 39.60 1xsb n ASP 107 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1xsb n VAL 108 N 0.60 1.00 -1.96 2.12 3.14 -0.32 -4.78 118.33 118.13 1xsb n VAL 108 Ca 0.18 -0.44 -0.38 0.00 -2.96 0.00 0.00 64.34 60.74 1xsb n VAL 108 Cb 0.75 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.55 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 -0.89 3.37 -0.18 1.45 -1.05 -1.26 -5.01 118.70 115.13 1xsb s GLU 109 Ca 0.54 2.07 0.01 0.00 -0.15 0.00 0.00 54.97 57.44 1xsb s GLU 109 Cb -0.66 -2.31 0.03 0.00 -0.44 0.00 0.00 34.13 30.75 1xsb s GLU 109 CO 0.54 -0.95 -0.14 0.42 0.95 0.00 0.00 175.26 176.07 1xsb s ILE 110 N -1.39 1.77 -0.34 1.83 -1.09 -1.25 -4.45 121.20 116.28 1xsb s ILE 110 Ca 0.69 -0.92 -0.06 0.00 -2.23 0.00 0.00 60.65 58.13 1xsb s ILE 110 Cb -0.36 -1.72 0.05 0.00 -1.58 0.00 0.00 42.46 38.84 1xsb s ILE 110 CO 0.43 0.35 0.10 -0.13 -1.23 0.00 0.00 174.94 174.45 1xsb s ARG 111 N 1.37 2.56 -0.04 2.79 0.52 1.74 -4.88 118.95 123.02 1xsb s ARG 111 Ca 0.02 -1.23 -0.13 0.00 -0.52 0.00 0.00 55.73 53.87 1xsb s ARG 111 Cb -0.15 -3.43 -0.05 0.00 0.52 0.00 0.00 34.95 31.84 1xsb s ARG 111 CO -0.10 -0.69 0.33 -0.51 0.02 0.00 0.00 175.30 174.35 1xsb s LEU 112 N 1.37 4.44 0.63 2.53 1.43 -1.26 -0.78 118.68 127.04 1xsb s LEU 112 Ca -0.02 0.81 -0.02 0.00 -1.03 0.00 0.00 54.13 53.88 1xsb s LEU 112 Cb -0.20 -2.44 0.06 0.00 0.03 0.00 0.00 46.19 43.65 1xsb s LEU 112 CO 0.02 0.34 0.90 -0.94 0.23 0.00 0.00 176.35 176.89 1xsb s SER 113 N -0.99 4.92 0.36 2.29 1.04 -1.26 -4.85 113.70 115.21 1xsb s SER 113 Ca 0.21 0.06 0.14 0.00 0.48 0.00 0.00 55.95 56.84 1xsb s SER 113 Cb -0.15 -0.77 0.98 0.00 0.10 0.00 0.00 66.02 66.18 1xsb s SER 113 CO 0.10 -1.44 1.76 -0.74 0.98 0.00 0.00 173.24 173.90 1xsb h HIS 114 N -0.27 0.84 0.00 5.02 2.76 -1.98 0.98 115.15 122.49 1xsb h HIS 114 Ca -0.42 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 57.77 1xsb h HIS 114 Cb 1.30 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 30.01 1xsb h HIS 114 CO 0.22 0.08 -0.07 1.49 -1.30 0.00 0.00 177.93 178.36 1xsb h GLU 115 N 0.51 0.00 -5.58 5.26 4.81 -1.96 -3.41 114.58 114.20 1xsb h GLU 115 Ca 0.61 0.00 -0.65 0.00 -0.13 0.00 0.00 59.36 59.19 1xsb h GLU 115 Cb 1.33 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.56 1xsb h GLU 115 CO -0.37 0.07 -0.58 -1.01 -0.73 0.00 0.00 179.01 176.39 1xsb s HIS 116 N -4.89 3.25 -0.21 0.92 3.76 0.34 -2.75 115.29 115.71 1xsb s HIS 116 Ca -0.05 0.15 -0.16 0.00 -0.15 0.00 0.00 55.06 54.85 1xsb s HIS 116 Cb 0.16 -1.94 -0.12 0.00 1.11 0.00 0.00 32.58 31.79 1xsb s HIS 116 CO 0.68 0.34 -0.12 0.94 -0.85 0.00 0.00 174.74 175.73 1xsb n GLN 117 N 2.80 0.54 -3.89 1.40 7.27 1.41 -4.17 117.38 122.74 1xsb n GLN 117 Ca -0.18 0.42 -0.09 0.00 0.07 0.00 0.00 57.00 57.22 1xsb n GLN 117 Cb 0.53 -1.62 -0.06 0.00 2.41 0.00 0.00 30.24 31.51 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 -0.34 0.14 1.69 0.00 -1.15 -4.91 121.76 114.62 1xsb s ALA 118 Ca -0.29 -0.66 0.04 0.00 0.00 0.00 0.00 51.96 51.06 1xsb s ALA 118 Cb 0.07 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 24.02 1xsb s ALA 118 CO 0.46 -0.72 -0.10 1.52 0.00 0.00 0.00 175.76 176.92 1xsb s TYR 119 N -3.94 1.24 0.02 0.00 1.13 -1.26 0.37 117.35 114.92 1xsb s TYR 119 Ca 0.15 -0.75 -0.04 0.00 -1.41 0.00 0.00 57.07 55.02 1xsb s TYR 119 Cb 0.01 -0.64 -0.01 0.00 -1.10 0.00 0.00 41.96 40.23 1xsb s TYR 119 CO -0.00 0.07 0.07 1.03 -2.51 0.00 0.00 175.55 174.21 1xsb s ARG 120 N -3.65 0.47 -0.38 -3.49 0.52 -0.89 -4.98 118.95 106.56 1xsb s ARG 120 Ca 0.15 -0.60 -0.08 0.00 -0.52 0.00 0.00 55.73 54.68 1xsb s ARG 120 Cb 0.02 0.18 0.06 0.00 0.52 0.00 0.00 34.95 35.73 1xsb s ARG 120 CO 0.00 -0.10 0.18 -1.58 0.02 0.00 0.00 175.30 173.82 1xsb s TRP 121 N -1.88 3.30 0.35 -0.53 0.52 -1.26 -3.18 118.94 116.25 1xsb s TRP 121 Ca -0.11 -1.44 0.03 0.00 0.02 0.00 0.00 56.10 54.60 1xsb s TRP 121 Cb -0.06 -2.60 -0.05 0.00 -1.15 0.00 0.00 33.47 29.61 1xsb s TRP 121 CO -0.01 -0.77 0.08 -0.51 0.02 0.00 0.00 176.95 175.75 1xsb s LEU 122 N 1.42 2.06 0.00 2.99 1.02 -1.25 -4.95 118.68 119.97 1xsb s LEU 122 Ca 0.01 -1.47 -0.08 0.00 0.02 0.00 0.00 54.13 52.61 1xsb s LEU 122 Cb -0.21 -0.26 0.13 0.00 0.02 0.00 0.00 46.19 45.87 1xsb s LEU 122 CO 0.03 -0.72 0.80 0.61 0.02 0.00 0.00 176.35 177.08 1xsb n GLY 123 N -0.74 -0.79 0.35 -3.19 0.00 -1.26 -1.81 105.19 97.75 1xsb n GLY 123 Ca -0.03 -1.78 -0.02 0.00 0.00 0.00 0.00 46.02 44.18 1xsb n GLY 123 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xsb h LEU 124 N 0.00 1.02 0.34 0.99 5.85 -1.81 0.50 115.31 122.20 1xsb h LEU 124 Ca -0.26 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 1xsb h LEU 124 Cb 0.77 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1xsb h LEU 124 CO 0.21 0.72 -0.26 1.05 -0.34 0.00 0.00 178.44 179.82 1xsb h GLU 125 N 1.20 -0.58 -0.12 1.25 4.11 -1.92 0.46 114.58 118.98 1xsb h GLU 125 Ca 0.35 0.04 -0.06 0.00 0.07 0.00 0.00 59.36 59.76 1xsb h GLU 125 Cb -0.07 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1xsb h GLU 125 CO -0.10 -0.38 -0.17 0.93 0.07 0.00 0.00 179.01 179.36 1xsb h GLU 126 N -0.60 0.32 -0.76 1.06 3.07 -1.87 0.42 114.58 116.22 1xsb h GLU 126 Ca -0.03 -0.19 0.21 0.00 -0.50 0.00 0.00 59.36 58.85 1xsb h GLU 126 Cb 0.52 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.41 1xsb h GLU 126 CO -0.00 0.77 0.54 0.00 -1.40 0.00 0.00 179.01 178.91 1xsb h ALA 127 N 0.55 2.58 0.24 3.43 0.00 0.10 0.44 119.26 126.60 1xsb h ALA 127 Ca 0.01 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 1xsb h ALA 127 Cb 0.73 0.03 0.04 0.00 0.00 0.00 0.00 17.79 18.59 1xsb h ALA 127 CO 0.04 -0.80 -1.40 0.00 0.00 0.00 0.00 179.25 177.09 1xsb h GLN 129 N 0.08 0.56 -0.35 0.00 -0.00 0.40 -2.76 115.11 113.04 1xsb h GLN 129 Ca -0.24 -0.06 -0.12 0.00 -0.00 0.00 0.00 58.65 58.22 1xsb h GLN 129 Cb 2.11 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.48 29.47 1xsb h GLN 129 CO 0.26 0.45 -0.25 -0.07 -0.00 0.00 0.00 178.83 179.23 1xsb h LEU 130 N 0.52 0.82 -4.59 0.06 3.38 -0.65 -3.16 115.31 111.68 1xsb h LEU 130 Ca 0.14 -0.44 -0.44 0.00 0.09 0.00 0.00 57.88 57.23 1xsb h LEU 130 Cb 0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1xsb h LEU 130 CO -0.02 1.08 1.95 0.00 0.09 0.00 0.00 178.44 181.54 1xsb n ALA 131 N -2.49 6.85 -0.44 1.53 0.00 -0.78 -3.93 120.51 121.25 1xsb n ALA 131 Ca -0.03 -2.68 0.36 0.00 0.00 0.00 0.00 53.44 51.09 1xsb n ALA 131 Cb 0.45 -2.89 0.60 0.00 0.00 0.00 0.00 19.45 17.61 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 3.14 -0.03 -1.68 0.00 0.00 -1.20 -4.01 117.38 113.61 1xsb n GLN 132 Ca 0.61 1.07 -0.47 0.00 0.00 0.00 0.00 57.00 58.21 1xsb n GLN 132 Cb 0.52 -2.14 -0.04 0.00 0.00 0.00 0.00 30.24 28.57 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 -4.33 2.35 -0.23 2.61 3.01 -1.26 -4.83 117.46 114.78 1xsb n PHE 133 Ca 0.35 0.07 0.04 0.00 1.01 0.00 0.00 57.45 58.92 1xsb n PHE 133 Cb 1.41 -2.63 0.29 0.00 -0.01 0.00 0.00 39.48 38.54 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 7.95 0.88 -0.77 -1.08 3.64 -1.97 -1.61 116.57 123.62 1xsb h LYS 134 Ca -0.47 -0.05 0.11 0.00 -1.27 0.00 0.00 60.65 58.97 1xsb h LYS 134 Cb 1.26 -0.20 -0.08 0.00 -0.41 0.00 0.00 32.23 32.80 1xsb h LYS 134 CO 0.93 0.59 0.40 0.93 -2.27 0.00 0.00 179.45 180.02 1xsb h GLU 135 N 0.91 0.62 -0.09 1.90 5.08 -1.89 0.44 114.58 121.55 1xsb h GLU 135 Ca 0.33 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.48 1xsb h GLU 135 Cb 0.16 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.28 1xsb h GLU 135 CO -0.11 0.41 -0.63 0.52 -1.00 0.00 0.00 179.01 178.20 1xsb h MET 136 N 0.64 0.60 -0.60 2.33 2.86 -1.59 1.04 114.93 120.20 1xsb h MET 136 Ca 0.39 -0.52 0.09 0.00 -2.06 0.00 0.00 59.70 57.60 1xsb h MET 136 Cb 0.45 0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.19 1xsb h MET 136 CO -0.29 1.14 0.40 0.87 1.06 0.00 0.00 176.91 180.08 1xsb h LYS 137 N 0.23 0.45 0.03 1.72 6.56 -0.42 1.09 116.57 126.23 1xsb h LYS 137 Ca -0.05 -0.03 -0.09 0.00 -1.06 0.00 0.00 60.65 59.42 1xsb h LYS 137 Cb 1.28 -0.10 0.01 0.00 -0.57 0.00 0.00 32.23 32.85 1xsb h LYS 137 CO 0.13 0.30 -0.37 0.00 -2.06 0.00 0.00 179.45 177.45 1xsb h ALA 138 N 1.69 -0.00 -0.10 3.86 0.00 0.18 -0.23 119.26 124.65 1xsb h ALA 138 Ca 0.27 -0.54 0.02 0.00 0.00 0.00 0.00 54.91 54.67 1xsb h ALA 138 Cb 0.46 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1xsb h ALA 138 CO -0.08 0.16 -0.04 0.00 0.00 0.00 0.00 179.25 179.30 1xsb h ALA 139 N 0.17 0.05 -0.00 0.00 0.00 0.25 2.05 119.26 121.77 1xsb h ALA 139 Ca -0.06 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1xsb h ALA 139 Cb 1.19 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1xsb h ALA 139 CO 0.07 -0.50 -0.16 -0.07 0.00 0.00 0.00 179.25 178.59 1xsb h LEU 140 N -0.03 0.00 0.07 0.00 3.38 0.11 0.47 115.31 119.31 1xsb h LEU 140 Ca 0.05 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xsb h LEU 140 Cb 0.11 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1xsb h LEU 140 CO -0.12 0.16 -0.03 1.56 0.09 0.00 0.00 178.44 180.10 1xsb h GLN 141 N 0.00 -0.09 -0.33 1.13 1.08 0.12 -2.56 115.11 114.46 1xsb h GLN 141 Ca -0.00 0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.14 1xsb h GLN 141 Cb 0.29 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.72 1xsb h GLN 141 CO 0.02 0.49 -0.08 0.93 -0.95 0.00 0.00 178.83 179.24 1xsb h GLU 142 N -0.88 0.55 0.03 1.46 5.08 0.33 0.67 114.58 121.82 1xsb h GLU 142 Ca -0.01 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1xsb h GLU 142 Cb 0.61 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1xsb h GLU 142 CO 0.01 0.63 -0.01 0.78 -1.00 0.00 0.00 179.01 179.43 1xsb h GLY 143 N 0.91 -0.04 1.02 -3.84 0.00 -0.99 0.41 103.07 100.54 1xsb h GLY 143 Ca 0.10 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 1xsb h GLY 143 CO 0.02 -0.01 0.41 0.84 0.00 0.00 0.00 176.54 177.80 1xsb h HIS 144 N -0.19 1.14 -0.68 5.60 -0.00 -1.21 -1.47 115.15 118.34 1xsb h HIS 144 Ca -0.00 -0.04 0.02 0.00 -0.00 0.00 0.00 60.37 60.34 1xsb h HIS 144 Cb 0.17 -0.36 -0.04 0.00 -0.00 0.00 0.00 27.41 27.19 1xsb h HIS 144 CO -0.03 0.82 0.44 0.37 -0.00 0.00 0.00 177.93 179.53 1xsb h GLN 145 N 1.13 0.86 -0.03 5.26 5.75 -0.50 -2.15 115.11 125.44 1xsb h GLN 145 Ca 0.28 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.72 1xsb h GLN 145 Cb 0.08 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 28.44 1xsb h GLN 145 CO -0.04 0.57 -0.03 0.35 -2.65 0.00 0.00 178.83 177.03 1xsb h PHE 146 N 0.89 0.08 -0.93 3.99 3.04 -0.49 -2.96 116.94 120.56 1xsb h PHE 146 Ca 0.26 -0.02 0.15 0.00 3.98 0.00 0.00 57.97 62.33 1xsb h PHE 146 Cb -0.06 -0.02 -0.08 0.00 2.56 0.00 0.00 35.95 38.36 1xsb h PHE 146 CO -0.03 0.54 0.59 -0.07 -2.02 0.00 0.00 178.31 177.32 1xsb h LEU 147 N -0.40 0.72 -0.78 0.59 3.38 -1.17 1.22 115.31 118.87 1xsb h LEU 147 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xsb h LEU 147 Cb 0.53 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1xsb h LEU 147 CO 0.01 0.35 0.00 0.00 0.09 0.00 0.00 178.44 178.89 1xsb n SER 149 N -2.27 0.39 0.00 0.00 2.88 0.42 -4.59 113.62 110.45 1xsb n SER 149 Ca 0.02 -0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1xsb n SER 149 Cb 0.22 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 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 -1.43 0.00 0.04 2.46 5.41 -0.75 -4.90 119.36 120.19 1xsb n ILE 150 Ca 0.07 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.69 1xsb n ILE 150 Cb 0.33 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 39.18 1xsb n ILE 150 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1xsb h GLU 151 N 0.00 -0.05 -4.16 0.38 4.57 -1.87 -3.49 114.58 109.95 1xsb h GLU 151 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1xsb h GLU 151 Cb 0.00 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1xsb h GLU 151 CO 0.00 0.16 -0.81 0.00 -1.18 0.00 0.00 179.01 177.18 1xsb n ALA 152 N -2.22 -1.81 -1.59 2.92 0.00 -1.26 -5.12 120.51 111.43 1xsb n ALA 152 Ca -0.08 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1xsb n ALA 152 Cb 0.14 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1xsb n ALA 152 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39