#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 0.75 -3.19 1.61 -0.04 -1.26 -4.94 135.00 127.94 1xsb n PRO 2 Ca 0.00 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 1xsb n PRO 2 Cb 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.40 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 0.00 4.45 0.57 1.53 2.96 -1.26 -4.92 118.68 122.01 1xsb s LEU 3 Ca 0.00 1.24 0.32 0.00 -0.22 0.00 0.00 54.13 55.46 1xsb s LEU 3 Cb 0.00 -2.97 1.44 0.00 0.50 0.00 0.00 46.19 45.17 1xsb s LEU 3 CO 0.00 0.14 1.80 1.23 -1.32 0.00 0.00 176.35 178.20 1xsb h GLY 4 N 5.33 0.00 -1.29 7.98 0.00 -2.01 -3.41 103.07 109.68 1xsb h GLY 4 Ca -0.46 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.35 1xsb h GLY 4 CO 0.68 0.00 0.26 -1.35 0.00 0.00 0.00 176.54 176.13 1xsb s SER 5 N -5.06 3.48 -0.01 0.19 1.04 -1.26 -5.01 113.70 107.07 1xsb s SER 5 Ca -0.04 2.06 -0.05 0.00 0.48 0.00 0.00 55.95 58.40 1xsb s SER 5 Cb 0.19 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.71 1xsb s SER 5 CO 0.66 -2.73 0.21 -0.32 0.98 0.00 0.00 173.24 172.04 1xsb s MET 6 N -4.74 3.49 0.33 4.02 1.75 -1.26 -4.97 119.30 117.92 1xsb s MET 6 Ca 0.65 -0.21 0.00 0.00 -1.25 0.00 0.00 55.69 54.88 1xsb s MET 6 Cb -0.21 -3.10 0.00 0.00 2.84 0.00 0.00 34.83 34.36 1xsb s MET 6 CO 0.57 0.68 0.00 0.00 -0.65 0.00 0.00 175.02 175.62 1xsb n ALA 7 N 1.12 -3.14 -2.77 4.11 0.00 -1.26 -4.81 120.51 113.75 1xsb n ALA 7 Ca -0.12 0.48 -0.35 0.00 0.00 0.00 0.00 53.44 53.45 1xsb n ALA 7 Cb 0.53 -1.14 -0.09 0.00 0.00 0.00 0.00 19.45 18.75 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 -5.86 3.83 0.03 0.00 1.02 -0.92 -5.02 118.68 111.75 1xsb s LEU 8 Ca 0.00 0.21 -0.23 0.00 0.02 0.00 0.00 54.13 54.13 1xsb s LEU 8 Cb 0.00 -1.91 -0.05 0.00 0.02 0.00 0.00 46.19 44.24 1xsb s LEU 8 CO 0.00 0.34 0.70 -0.60 0.02 0.00 0.00 176.35 176.81 1xsb s ARG 9 N -0.64 4.43 0.07 1.70 3.52 -1.26 -2.28 118.95 124.48 1xsb s ARG 9 Ca 0.11 0.93 -0.03 0.00 -0.13 0.00 0.00 55.73 56.62 1xsb s ARG 9 Cb -0.12 -3.35 -0.03 0.00 -1.56 0.00 0.00 34.95 29.89 1xsb s ARG 9 CO 0.02 0.32 0.04 0.00 -0.81 0.00 0.00 175.30 174.87 1xsb s ALA 10 N -0.11 0.38 -0.16 6.12 0.00 -0.25 -3.53 121.76 124.21 1xsb s ALA 10 Ca 0.36 -1.11 -0.07 0.00 0.00 0.00 0.00 51.96 51.14 1xsb s ALA 10 Cb -0.20 0.40 0.07 0.00 0.00 0.00 0.00 23.12 23.40 1xsb s ALA 10 CO 0.21 -0.42 0.35 0.00 0.00 0.00 0.00 175.76 175.89 1xsb s GLY 12 N 2.12 2.88 -0.16 0.00 0.00 -1.08 -3.00 107.32 108.07 1xsb s GLY 12 Ca -0.04 -0.71 0.01 0.00 0.00 0.00 0.00 44.72 43.98 1xsb s GLY 12 CO -0.11 -2.08 -0.13 1.08 0.00 0.00 0.00 173.10 171.86 1xsb s LEU 13 N -3.79 1.88 -0.70 0.66 1.43 -1.01 -4.05 118.68 113.10 1xsb s LEU 13 Ca 0.12 -0.61 -0.24 0.00 -1.03 0.00 0.00 54.13 52.37 1xsb s LEU 13 Cb 0.02 -1.21 0.05 0.00 0.03 0.00 0.00 46.19 45.09 1xsb s LEU 13 CO 0.07 -0.08 1.11 -0.63 0.23 0.00 0.00 176.35 177.05 1xsb s ILE 14 N 1.45 4.06 0.04 -0.59 1.01 -0.76 -4.32 121.20 122.10 1xsb s ILE 14 Ca 0.03 -0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.45 1xsb s ILE 14 Cb -0.14 -4.79 -0.06 0.00 0.01 0.00 0.00 42.46 37.48 1xsb s ILE 14 CO -0.10 -1.64 0.53 -0.63 0.00 0.00 0.00 174.94 173.10 1xsb s ILE 15 N 4.78 4.84 -0.07 2.92 1.01 -1.26 0.24 121.20 133.65 1xsb s ILE 15 Ca 0.28 1.12 -0.01 0.00 0.00 0.00 0.00 60.65 62.04 1xsb s ILE 15 Cb -0.13 -3.85 0.03 0.00 0.01 0.00 0.00 42.46 38.52 1xsb s ILE 15 CO 0.12 0.54 -0.01 0.72 0.00 0.00 0.00 174.94 176.31 1xsb s PHE 16 N -0.97 0.77 -0.36 3.97 -0.12 1.45 -1.89 117.98 120.83 1xsb s PHE 16 Ca 0.28 -0.24 -0.23 0.00 -0.05 0.00 0.00 56.93 56.69 1xsb s PHE 16 Cb -0.19 -0.84 0.01 0.00 -0.63 0.00 0.00 43.02 41.38 1xsb s PHE 16 CO 0.17 -0.33 0.77 0.50 -0.05 0.00 0.00 175.22 176.28 1xsb s ARG 17 N 1.81 3.75 0.06 1.99 3.52 0.32 -3.94 118.95 126.45 1xsb s ARG 17 Ca 0.03 0.29 -0.19 0.00 -0.13 0.00 0.00 55.73 55.74 1xsb s ARG 17 Cb -0.13 -3.81 -0.07 0.00 -1.56 0.00 0.00 34.95 29.39 1xsb s ARG 17 CO -0.05 -0.84 0.55 0.50 -0.81 0.00 0.00 175.30 174.65 1xsb s ARG 18 N 3.06 4.17 0.54 5.12 3.52 -1.26 -2.14 118.95 131.96 1xsb s ARG 18 Ca 0.31 0.70 -0.10 0.00 -0.13 0.00 0.00 55.73 56.50 1xsb s ARG 18 Cb -0.13 -3.24 -0.05 0.00 -1.56 0.00 0.00 34.95 29.97 1xsb s ARG 18 CO 0.17 0.64 0.92 0.00 -0.81 0.00 0.00 175.30 176.22 1xsb h LEU 20 N 0.18 0.89 -7.84 0.00 3.38 -1.97 -3.44 115.31 106.51 1xsb h LEU 20 Ca -0.46 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.44 1xsb h LEU 20 Cb 1.19 -0.15 -0.16 0.00 0.09 0.00 0.00 40.66 41.63 1xsb h LEU 20 CO 0.62 0.53 -0.43 0.27 0.09 0.00 0.00 178.44 179.52 1xsb s ILE 21 N -6.02 0.14 0.73 1.22 -4.36 -1.26 -5.15 121.20 106.50 1xsb s ILE 21 Ca -0.12 -1.13 -0.15 0.00 -0.26 0.00 0.00 60.65 58.98 1xsb s ILE 21 Cb 0.20 -1.16 0.04 0.00 1.25 0.00 0.00 42.46 42.80 1xsb s ILE 21 CO 0.80 -0.63 1.24 -2.84 0.24 0.00 0.00 174.94 173.75 1xsb s PRO 22 N -3.28 2.06 0.00 0.37 0.02 -1.26 -4.99 135.00 127.92 1xsb s PRO 22 Ca 0.01 1.87 0.00 0.00 0.02 0.00 0.00 61.00 62.89 1xsb s PRO 22 Cb 0.02 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.73 1xsb s PRO 22 CO -0.08 -1.92 0.00 1.17 -0.33 0.00 0.00 177.00 175.84 1xsb n LYS 23 N -2.69 0.00 0.00 5.54 3.00 -1.26 -4.86 118.16 117.89 1xsb n LYS 23 Ca 0.14 0.00 0.15 0.00 -0.00 0.00 0.00 58.31 58.60 1xsb n LYS 23 Cb 0.50 0.00 0.70 0.00 0.00 0.00 0.00 35.03 36.23 1xsb n LYS 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1xsb n VAL 24 N -0.74 0.00 -3.62 3.15 0.31 -1.26 -4.89 118.33 111.28 1xsb n VAL 24 Ca 0.00 -0.09 -0.23 0.00 -0.01 0.00 0.00 64.34 64.00 1xsb n VAL 24 Cb 0.00 -0.07 0.07 0.00 -0.91 0.00 0.00 33.84 32.94 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 -0.65 -4.78 0.18 4.52 8.00 -1.26 -4.68 116.55 117.87 1xsb n ASP 25 Ca 0.19 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 55.07 1xsb n ASP 25 Cb 0.24 -4.81 0.00 0.00 -0.02 0.00 0.00 41.12 36.53 1xsb n ASP 25 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1xsb n ASN 26 N -3.02 -3.15 -0.78 -2.24 2.85 -1.26 -4.90 115.26 102.76 1xsb n ASN 26 Ca -0.08 0.76 0.04 0.00 -0.11 0.00 0.00 54.58 55.19 1xsb n ASN 26 Cb 0.59 3.04 0.15 0.00 1.24 0.00 0.00 39.78 44.81 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 -3.27 2.20 -0.16 1.20 6.94 -1.26 -4.20 115.26 116.70 1xsb n ASN 27 Ca 0.00 -2.15 0.10 0.00 -0.02 0.00 0.00 54.58 52.50 1xsb n ASN 27 Cb 0.00 -0.35 0.41 0.00 -2.36 0.00 0.00 39.78 37.48 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 3.30 1.85 -3.54 -2.53 0.00 -1.93 -3.40 119.26 113.01 1xsb h ALA 28 Ca 0.00 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.23 1xsb h ALA 28 Cb 0.70 -0.14 -0.24 0.00 0.00 0.00 0.00 17.79 18.11 1xsb h ALA 28 CO 0.08 0.01 -0.74 0.42 0.00 0.00 0.00 179.25 179.02 1xsb s ILE 29 N -5.57 3.27 0.21 0.00 1.01 -1.26 -2.74 121.20 116.13 1xsb s ILE 29 Ca -0.09 -0.61 0.10 0.00 0.00 0.00 0.00 60.65 60.06 1xsb s ILE 29 Cb 0.20 -2.36 -0.05 0.00 0.01 0.00 0.00 42.46 40.27 1xsb s ILE 29 CO 0.77 0.55 -0.20 -1.61 0.00 0.00 0.00 174.94 174.44 1xsb s GLU 30 N -0.08 1.48 0.14 2.79 2.02 -0.91 -3.97 118.70 120.16 1xsb s GLU 30 Ca -0.01 -1.57 0.10 0.00 0.02 0.00 0.00 54.97 53.50 1xsb s GLU 30 Cb -0.14 -1.60 -0.04 0.00 0.10 0.00 0.00 34.13 32.45 1xsb s GLU 30 CO 0.03 0.32 -0.20 -0.06 0.02 0.00 0.00 175.26 175.38 1xsb s PHE 31 N -2.17 2.46 -0.03 1.61 0.08 -0.66 0.12 117.98 119.39 1xsb s PHE 31 Ca 0.22 -0.30 -0.30 0.00 0.12 0.00 0.00 56.93 56.68 1xsb s PHE 31 Cb -0.06 -1.28 -0.03 0.00 -0.57 0.00 0.00 43.02 41.08 1xsb s PHE 31 CO 0.10 0.41 0.98 -1.17 -0.10 0.00 0.00 175.22 175.44 1xsb s LEU 32 N -2.31 4.33 -0.07 -0.37 2.96 -0.79 -3.76 118.68 118.68 1xsb s LEU 32 Ca 0.19 1.61 0.02 0.00 -0.22 0.00 0.00 54.13 55.72 1xsb s LEU 32 Cb -0.10 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.06 1xsb s LEU 32 CO 0.10 -0.31 -0.11 -0.76 -1.32 0.00 0.00 176.35 173.96 1xsb s LEU 33 N 1.29 1.55 -0.05 -0.68 1.43 -1.06 -4.56 118.68 116.60 1xsb s LEU 33 Ca 0.51 -0.27 -0.04 0.00 -1.03 0.00 0.00 54.13 53.29 1xsb s LEU 33 Cb -0.20 -0.77 -0.04 0.00 0.03 0.00 0.00 46.19 45.21 1xsb s LEU 33 CO 0.25 0.00 0.16 -0.76 0.23 0.00 0.00 176.35 176.23 1xsb s LEU 34 N 0.82 4.35 -0.25 1.79 1.43 -1.07 -0.83 118.68 124.92 1xsb s LEU 34 Ca -0.12 0.38 -0.15 0.00 -1.03 0.00 0.00 54.13 53.21 1xsb s LEU 34 Cb -0.15 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 1xsb s LEU 34 CO 0.02 0.31 0.37 -1.58 0.23 0.00 0.00 176.35 175.71 1xsb s GLN 35 N -1.61 4.07 0.42 1.70 0.74 1.53 -2.96 119.66 123.54 1xsb s GLN 35 Ca 0.23 0.08 -0.26 0.00 0.05 0.00 0.00 55.36 55.46 1xsb s GLN 35 Cb -0.12 -3.61 -0.10 0.00 1.10 0.00 0.00 33.01 30.28 1xsb s GLN 35 CO 0.13 -0.18 1.35 0.00 -0.55 0.00 0.00 175.29 176.04 1xsb n ALA 36 N 5.00 1.67 1.16 1.58 0.00 -1.20 -0.74 120.51 127.98 1xsb n ALA 36 Ca -0.09 0.28 0.14 0.00 0.00 0.00 0.00 53.44 53.78 1xsb n ALA 36 Cb 0.51 -2.32 0.63 0.00 0.00 0.00 0.00 19.45 18.26 1xsb n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xsb n SER 37 N 0.19 0.08 -3.93 0.00 3.41 1.23 -4.47 113.62 110.13 1xsb n SER 37 Ca 0.05 0.16 -0.11 0.00 -0.26 0.00 0.00 58.87 58.72 1xsb n SER 37 Cb 0.40 -0.34 -0.06 0.00 -0.26 0.00 0.00 64.21 63.94 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 -2.83 0.16 0.00 4.04 -0.00 -1.26 -4.95 116.67 111.82 1xsb s ASP 38 Ca 0.19 -1.16 0.00 0.00 -0.00 0.00 0.00 52.55 51.58 1xsb s ASP 38 Cb 0.19 0.54 0.00 0.00 -0.00 0.00 0.00 42.92 43.65 1xsb s ASP 38 CO 0.52 -1.08 0.00 0.61 -0.00 0.00 0.00 175.17 175.22 1xsb n GLY 39 N -0.38 -1.75 0.00 0.21 0.00 -1.26 -3.91 105.19 98.09 1xsb n GLY 39 Ca -0.00 -1.64 0.02 0.00 0.00 0.00 0.00 46.02 44.40 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 -3.07 -0.61 -5.35 -1.26 -4.79 119.36 104.28 1xsb n ILE 40 Ca 0.00 0.00 -0.16 0.00 -0.27 0.00 0.00 62.75 62.32 1xsb n ILE 40 Cb 0.00 -0.30 0.04 0.00 -1.74 0.00 0.00 39.64 37.64 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 -0.59 -1.74 -1.90 4.28 8.25 -1.25 -4.97 115.22 117.30 1xsb n HIS 41 Ca 0.03 0.57 -0.34 0.00 -0.26 0.00 0.00 57.72 57.71 1xsb n HIS 41 Cb 0.01 -3.62 0.04 0.00 1.12 0.00 0.00 29.99 27.54 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 -3.13 2.49 -0.18 4.41 -3.43 -1.26 -4.63 115.29 109.56 1xsb s HIS 42 Ca 0.33 1.55 -0.08 0.00 -0.80 0.00 0.00 55.06 56.05 1xsb s HIS 42 Cb -0.14 -3.32 -0.04 0.00 -1.43 0.00 0.00 32.58 27.64 1xsb s HIS 42 CO 0.41 -1.92 0.10 -1.58 -2.00 0.00 0.00 174.74 169.74 1xsb s TRP 43 N -1.96 3.35 0.01 0.38 0.52 -1.26 -3.24 118.94 116.73 1xsb s TRP 43 Ca 0.72 0.24 -0.20 0.00 0.02 0.00 0.00 56.10 56.88 1xsb s TRP 43 Cb -0.25 -2.09 0.04 0.00 -1.15 0.00 0.00 33.47 30.02 1xsb s TRP 43 CO 0.36 0.28 0.43 0.95 0.02 0.00 0.00 176.95 179.00 1xsb s THR 44 N 0.19 0.04 0.87 2.01 -4.23 -1.15 -4.45 115.64 108.92 1xsb s THR 44 Ca 0.07 -0.37 -0.11 0.00 -1.18 0.00 0.00 61.69 60.09 1xsb s THR 44 Cb -0.12 -0.85 0.11 0.00 1.34 0.00 0.00 72.50 72.99 1xsb s THR 44 CO -0.00 -0.20 1.09 -2.16 -0.54 0.00 0.00 174.62 172.80 1xsb s PRO 45 N -1.86 1.45 -0.33 3.99 0.04 -1.26 -2.61 135.00 134.41 1xsb s PRO 45 Ca -0.09 0.84 -0.37 0.00 0.04 0.00 0.00 61.00 61.42 1xsb s PRO 45 Cb -0.02 -1.83 -0.13 0.00 0.04 0.00 0.00 34.50 32.56 1xsb s PRO 45 CO 0.02 -2.11 2.08 -2.30 0.04 0.00 0.00 177.00 174.73 1xsb n PRO 46 N -3.80 1.09 -4.63 0.56 -0.02 -1.26 -4.82 135.00 122.11 1xsb n PRO 46 Ca 0.07 0.33 -0.32 0.00 -2.02 0.00 0.00 63.50 61.56 1xsb n PRO 46 Cb 0.55 -2.34 -0.12 0.00 -0.02 0.00 0.00 33.50 31.58 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 5.57 2.47 0.33 -0.52 1.02 -1.26 -2.40 119.74 124.95 1xsb s LYS 47 Ca 1.07 -0.74 -0.06 0.00 0.02 0.00 0.00 55.97 56.26 1xsb s LYS 47 Cb -0.93 -2.42 0.01 0.00 -0.52 0.00 0.00 37.83 33.97 1xsb s LYS 47 CO 0.54 0.60 0.52 0.20 -0.92 0.00 0.00 175.35 176.29 1xsb s GLY 48 N -1.16 1.14 -0.11 -3.33 0.00 -1.16 -4.98 107.32 97.72 1xsb s GLY 48 Ca 0.14 -1.28 -0.03 0.00 0.00 0.00 0.00 44.72 43.55 1xsb s GLY 48 CO 0.04 -0.83 -0.00 0.30 0.00 0.00 0.00 173.10 172.61 1xsb s HIS 49 N -3.15 3.13 -0.04 1.90 3.76 -1.26 -2.43 115.29 117.19 1xsb s HIS 49 Ca 0.27 0.06 -0.16 0.00 -0.15 0.00 0.00 55.06 55.08 1xsb s HIS 49 Cb -0.01 -1.85 -0.05 0.00 1.11 0.00 0.00 32.58 31.77 1xsb s HIS 49 CO 0.17 0.31 0.42 0.54 -0.85 0.00 0.00 174.74 175.33 1xsb s VAL 50 N -0.46 5.09 0.59 -0.90 0.11 -1.23 -4.90 120.40 118.69 1xsb s VAL 50 Ca 0.08 0.86 -0.10 0.00 -2.93 0.00 0.00 61.98 59.89 1xsb s VAL 50 Cb -0.12 -3.74 0.14 0.00 -1.53 0.00 0.00 36.38 31.13 1xsb s VAL 50 CO 0.02 0.49 0.62 1.21 -3.33 0.00 0.00 175.10 174.11 1xsb n GLU 51 N 2.49 -1.57 0.00 1.54 4.07 -1.26 -4.88 120.64 121.03 1xsb n GLU 51 Ca -0.12 -0.98 0.00 0.00 -0.06 0.00 0.00 57.16 56.00 1xsb n GLU 51 Cb 0.52 -0.80 0.00 0.00 -0.06 0.00 0.00 31.44 31.10 1xsb n GLU 51 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1xsb n PRO 52 N -2.95 0.00 0.00 5.31 -0.04 -1.26 -3.58 135.00 132.47 1xsb n PRO 52 Ca 0.08 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 1xsb n PRO 52 Cb 0.31 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 1xsb n PRO 52 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xsb n GLY 53 N 1.03 -0.15 3.86 0.55 0.00 -1.26 -4.79 105.19 104.43 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 -1.67 3.90 0.70 1.61 2.12 -1.24 -5.06 118.70 119.06 1xsb s GLU 54 Ca 0.00 0.46 -0.11 0.00 0.36 0.00 0.00 54.97 55.68 1xsb s GLU 54 Cb 0.00 -2.54 0.01 0.00 0.26 0.00 0.00 34.13 31.86 1xsb s GLU 54 CO 0.00 0.24 1.07 0.34 -0.54 0.00 0.00 175.26 176.36 1xsb s ASP 55 N -2.33 5.26 -0.02 -1.70 2.15 -1.26 -4.72 116.67 114.05 1xsb s ASP 55 Ca 0.51 1.69 -0.22 0.00 0.43 0.00 0.00 52.55 54.96 1xsb s ASP 55 Cb -0.11 -2.51 -0.24 0.00 -0.30 0.00 0.00 42.92 39.77 1xsb s ASP 55 CO 0.19 -1.52 1.06 0.44 -0.17 0.00 0.00 175.17 175.17 1xsb h ASP 56 N -0.63 0.40 -0.12 -0.34 3.45 -1.96 -2.97 116.42 114.25 1xsb h ASP 56 Ca -0.44 -0.78 -0.11 0.00 0.43 0.00 0.00 57.03 56.14 1xsb h ASP 56 Cb 1.22 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.86 1xsb h ASP 56 CO 0.56 1.13 -0.34 0.25 -1.57 0.00 0.00 179.24 179.27 1xsb h LEU 57 N -0.28 0.51 -1.04 1.55 5.85 -1.96 -2.99 115.31 116.95 1xsb h LEU 57 Ca -0.06 -0.59 0.14 0.00 0.84 0.00 0.00 57.88 58.21 1xsb h LEU 57 Cb 1.21 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 42.00 1xsb h LEU 57 CO 0.09 1.01 0.62 -0.33 -0.34 0.00 0.00 178.44 179.50 1xsb h GLU 58 N 0.03 0.89 -0.86 1.25 3.07 -1.96 0.78 114.58 117.78 1xsb h GLU 58 Ca -0.01 -0.05 0.02 0.00 -0.50 0.00 0.00 59.36 58.82 1xsb h GLU 58 Cb 0.96 -0.20 -0.05 0.00 -0.84 0.00 0.00 28.75 28.62 1xsb h GLU 58 CO 0.07 0.59 0.56 1.15 -1.40 0.00 0.00 179.01 179.98 1xsb h THR 59 N 0.92 1.17 -0.42 1.13 2.02 -1.46 0.69 112.91 116.97 1xsb h THR 59 Ca 0.51 -0.38 -0.10 0.00 0.77 0.00 0.00 66.41 67.21 1xsb h THR 59 Cb 0.60 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1xsb h THR 59 CO -0.28 0.20 -0.11 0.00 0.37 0.00 0.00 175.52 175.70 1xsb h ALA 60 N 1.34 0.58 0.23 6.16 0.00 0.06 0.82 119.26 128.45 1xsb h ALA 60 Ca 0.33 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xsb h ALA 60 Cb -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1xsb h ALA 60 CO -0.10 0.46 -0.11 -0.07 0.00 0.00 0.00 179.25 179.43 1xsb h LEU 61 N 0.63 -0.26 -0.57 0.00 3.38 0.17 0.69 115.31 119.35 1xsb h LEU 61 Ca 0.10 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1xsb h LEU 61 Cb 0.64 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1xsb h LEU 61 CO 0.04 -0.18 0.29 -0.09 0.09 0.00 0.00 178.44 178.59 1xsb h ARG 62 N -0.31 0.80 -0.32 1.13 2.43 0.40 -2.16 114.38 116.35 1xsb h ARG 62 Ca -0.03 -0.11 -0.09 0.00 -0.81 0.00 0.00 59.98 58.94 1xsb h ARG 62 Cb 0.24 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1xsb h ARG 62 CO 0.05 0.64 -0.19 0.00 -1.51 0.00 0.00 179.97 178.96 1xsb h ALA 63 N 1.12 1.07 -0.54 2.80 0.00 -0.57 0.81 119.26 123.95 1xsb h ALA 63 Ca 0.20 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1xsb h ALA 63 Cb 0.09 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1xsb h ALA 63 CO -0.03 0.57 0.30 1.15 0.00 0.00 0.00 179.25 181.24 1xsb h THR 64 N 0.53 1.00 0.21 0.00 2.02 0.10 0.12 112.91 116.90 1xsb h THR 64 Ca 0.08 -0.20 -0.32 0.00 0.77 0.00 0.00 66.41 66.74 1xsb h THR 64 Cb 0.63 0.37 0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1xsb h THR 64 CO 0.04 0.11 -1.40 -0.61 0.37 0.00 0.00 175.52 174.03 1xsb h GLN 65 N 0.59 0.51 -0.69 6.66 4.15 -0.19 0.27 115.11 126.40 1xsb h GLN 65 Ca 0.23 -0.83 -0.05 0.00 0.77 0.00 0.00 58.65 58.77 1xsb h GLN 65 Cb 0.09 0.30 -0.03 0.00 0.21 0.00 0.00 27.48 28.05 1xsb h GLN 65 CO -0.13 1.39 0.22 0.93 -1.93 0.00 0.00 178.83 179.31 1xsb h GLU 66 N 0.15 1.05 -0.01 1.69 5.08 -0.61 3.29 114.58 125.23 1xsb h GLU 66 Ca -0.22 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1xsb h GLU 66 Cb 2.10 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 31.19 1xsb h GLU 66 CO 0.26 0.90 -0.60 0.39 -1.00 0.00 0.00 179.01 178.96 1xsb n GLU 67 N -4.26 0.98 0.00 2.33 1.02 0.40 -4.21 120.64 116.91 1xsb n GLU 67 Ca 0.06 -0.72 0.00 0.00 -0.02 0.00 0.00 57.16 56.48 1xsb n GLU 67 Cb 0.22 -1.46 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 -0.42 0.50 -0.42 0.62 0.00 0.14 -3.79 120.51 117.13 1xsb n ALA 68 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1xsb n ALA 68 Cb 0.42 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 0.58 1.37 3.59 0.00 0.00 1.09 0.39 105.19 112.21 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 -3.13 4.74 0.41 -0.61 1.01 -1.20 -4.75 121.20 117.68 1xsb s ILE 70 Ca 0.00 -0.04 0.07 0.00 0.00 0.00 0.00 60.65 60.68 1xsb s ILE 70 Cb 0.00 -3.17 -0.08 0.00 0.01 0.00 0.00 42.46 39.23 1xsb s ILE 70 CO 0.00 0.42 0.03 -0.70 0.00 0.00 0.00 174.94 174.69 1xsb s GLU 71 N 0.75 2.00 0.47 2.79 2.12 -1.26 -0.42 118.70 125.15 1xsb s GLU 71 Ca 0.04 -2.08 0.26 0.00 0.36 0.00 0.00 54.97 53.55 1xsb s GLU 71 Cb -0.13 -1.69 1.30 0.00 0.26 0.00 0.00 34.13 33.87 1xsb s GLU 71 CO 0.02 -0.06 1.82 0.00 -0.54 0.00 0.00 175.26 176.49 1xsb h ALA 72 N 1.72 2.59 0.00 6.30 0.00 -1.86 3.42 119.26 131.43 1xsb h ALA 72 Ca -0.44 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1xsb h ALA 72 Cb 1.24 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1xsb h ALA 72 CO 0.79 -0.93 0.00 0.41 0.00 0.00 0.00 179.25 179.53 1xsb n GLY 73 N -1.61 -0.61 0.00 0.00 0.00 -1.26 -2.14 105.19 99.57 1xsb n GLY 73 Ca 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.14 4.66 -3.11 1.61 6.02 1.12 -5.03 117.38 121.50 1xsb n GLN 74 Ca 0.09 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.96 1xsb n GLN 74 Cb 0.08 -0.60 -0.03 0.00 1.02 0.00 0.00 30.24 30.71 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 -1.03 0.00 -3.87 1.08 -0.00 -0.07 -0.49 117.00 112.62 1xsb n LEU 75 Ca 0.00 -1.42 -0.29 0.00 -0.00 0.00 0.00 56.01 54.30 1xsb n LEU 75 Cb 0.00 0.42 -0.16 0.00 -0.00 0.00 0.00 43.42 43.68 1xsb n LEU 75 CO 0.00 -0.22 -0.40 -0.89 -0.00 0.00 0.00 177.39 175.88 1xsb s THR 76 N -2.16 1.15 0.05 1.47 2.01 0.15 -4.77 115.64 113.54 1xsb s THR 76 Ca 0.08 -0.95 -0.30 0.00 0.31 0.00 0.00 61.69 60.83 1xsb s THR 76 Cb 0.00 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 70.97 1xsb s THR 76 CO 0.05 -0.12 1.00 -0.63 -0.69 0.00 0.00 174.62 174.24 1xsb s ILE 77 N 1.57 4.62 0.08 1.82 -1.09 -1.26 -1.51 121.20 125.43 1xsb s ILE 77 Ca -0.04 1.98 -0.19 0.00 -2.23 0.00 0.00 60.65 60.17 1xsb s ILE 77 Cb -0.18 -4.27 -0.07 0.00 -1.58 0.00 0.00 42.46 36.37 1xsb s ILE 77 CO -0.07 0.21 0.57 -0.63 -1.23 0.00 0.00 174.94 173.79 1xsb s ILE 78 N 0.64 4.76 0.10 2.92 1.09 0.12 -4.98 121.20 125.84 1xsb s ILE 78 Ca 0.51 1.17 0.02 0.00 -1.10 0.00 0.00 60.65 61.25 1xsb s ILE 78 Cb -0.23 -3.88 -0.04 0.00 -1.06 0.00 0.00 42.46 37.26 1xsb s ILE 78 CO 0.29 0.52 0.18 -1.61 -0.10 0.00 0.00 174.94 174.22 1xsb s GLU 79 N -1.22 3.20 0.00 2.79 2.02 -1.26 -4.41 118.70 119.82 1xsb s GLU 79 Ca 0.30 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 54.68 1xsb s GLU 79 Cb -0.19 -2.88 0.00 0.00 0.10 0.00 0.00 34.13 31.16 1xsb s GLU 79 CO 0.19 0.56 0.00 0.41 0.02 0.00 0.00 175.26 176.44 1xsb n GLY 80 N 0.05 2.85 3.45 -1.39 0.00 -1.26 -5.04 105.19 103.84 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 -2.64 3.02 -0.23 1.61 2.19 -1.26 -5.08 117.98 115.58 1xsb s PHE 81 Ca 0.00 -0.46 -0.17 0.00 0.33 0.00 0.00 56.93 56.64 1xsb s PHE 81 Cb 0.00 -2.03 0.07 0.00 -1.31 0.00 0.00 43.02 39.74 1xsb s PHE 81 CO 0.00 -0.20 0.58 0.21 1.83 0.00 0.00 175.22 177.64 1xsb s LYS 82 N 0.80 0.63 0.08 10.12 2.20 -1.26 -4.68 119.74 127.63 1xsb s LYS 82 Ca -0.01 0.95 -0.26 0.00 -0.36 0.00 0.00 55.97 56.29 1xsb s LYS 82 Cb -0.14 0.19 0.09 0.00 -1.51 0.00 0.00 37.83 36.45 1xsb s LYS 82 CO 0.02 -0.12 0.76 1.03 -0.36 0.00 0.00 175.35 176.68 1xsb s ARG 83 N 1.00 1.05 -0.02 4.03 0.52 -1.26 -5.04 118.95 119.24 1xsb s ARG 83 Ca -0.05 -0.40 0.01 0.00 -0.52 0.00 0.00 55.73 54.77 1xsb s ARG 83 Cb -0.05 0.48 0.01 0.00 0.52 0.00 0.00 34.95 35.90 1xsb s ARG 83 CO -0.09 -0.46 -0.05 -1.83 0.02 0.00 0.00 175.30 172.89 1xsb s GLU 84 N -3.42 0.55 -0.20 3.54 1.03 -1.24 -1.16 118.70 117.80 1xsb s GLU 84 Ca 0.04 -0.14 -0.20 0.00 0.03 0.00 0.00 54.97 54.69 1xsb s GLU 84 Cb -0.01 -0.56 -0.03 0.00 -0.80 0.00 0.00 34.13 32.73 1xsb s GLU 84 CO -0.10 0.04 0.62 -0.51 -1.33 0.00 0.00 175.26 173.97 1xsb s LEU 85 N 0.30 4.14 -0.12 1.83 1.43 0.31 -4.69 118.68 121.87 1xsb s LEU 85 Ca -0.03 0.80 0.03 0.00 -1.03 0.00 0.00 54.13 53.89 1xsb s LEU 85 Cb -0.07 -2.87 0.01 0.00 0.03 0.00 0.00 46.19 43.29 1xsb s LEU 85 CO -0.00 -0.27 -0.21 0.20 0.23 0.00 0.00 176.35 176.30 1xsb s ASN 86 N 1.22 2.92 -0.06 2.29 0.01 -1.25 -0.23 114.94 119.84 1xsb s ASN 86 Ca 0.28 -0.55 -0.29 0.00 -0.71 0.00 0.00 52.86 51.59 1xsb s ASN 86 Cb -0.16 -1.34 0.10 0.00 0.41 0.00 0.00 41.25 40.27 1xsb s ASN 86 CO 0.10 0.08 0.87 -0.72 -1.51 0.00 0.00 177.10 175.92 1xsb s TYR 87 N 0.76 -0.42 -0.38 2.20 -0.85 -1.19 -4.91 117.35 112.57 1xsb s TYR 87 Ca -0.09 0.53 -0.10 0.00 -0.52 0.00 0.00 57.07 56.89 1xsb s TYR 87 Cb -0.16 0.49 0.04 0.00 0.38 0.00 0.00 41.96 42.71 1xsb s TYR 87 CO 0.00 -0.50 0.20 0.54 -1.52 0.00 0.00 175.55 174.27 1xsb s VAL 88 N -2.11 4.38 0.00 -3.49 0.11 -1.26 -0.71 120.40 117.32 1xsb s VAL 88 Ca -0.01 -1.03 0.00 0.00 -2.93 0.00 0.00 61.98 58.01 1xsb s VAL 88 Cb -0.01 -3.50 0.00 0.00 -1.53 0.00 0.00 36.38 31.34 1xsb s VAL 88 CO -0.02 -0.29 0.00 0.00 -3.33 0.00 0.00 175.10 171.45 1xsb n ALA 89 N 4.95 0.00 -0.05 1.54 0.00 -1.11 -4.63 120.51 121.22 1xsb n ALA 89 Ca -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.23 1xsb n ALA 89 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.32 0.00 0.00 2.43 -2.04 -3.41 114.38 111.04 1xsb h ARG 90 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1xsb h ARG 90 Cb 0.00 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1xsb h ARG 90 CO 0.00 -0.22 0.00 0.27 -1.51 0.00 0.00 179.97 178.51 1xsb n ASN 91 N -5.41 0.00 -3.90 -3.80 2.04 -1.26 -5.13 115.26 97.80 1xsb n ASN 91 Ca -0.01 -0.52 -0.17 0.00 -0.44 0.00 0.00 54.58 53.44 1xsb n ASN 91 Cb 0.33 0.00 -0.15 0.00 -2.53 0.00 0.00 39.78 37.43 1xsb n ASN 91 CO 0.00 0.00 0.00 -1.59 -0.44 0.00 0.00 177.26 175.23 1xsb s LYS 92 N 0.00 0.50 0.22 -3.83 -2.85 -1.26 -5.06 119.74 107.45 1xsb s LYS 92 Ca 0.00 -0.08 -0.30 0.00 -1.00 0.00 0.00 55.97 54.59 1xsb s LYS 92 Cb 0.00 -0.54 -0.08 0.00 -2.06 0.00 0.00 37.83 35.14 1xsb s LYS 92 CO 0.00 -0.02 1.02 -1.25 0.10 0.00 0.00 175.35 175.21 1xsb s PRO 93 N 0.50 4.72 -0.10 1.78 0.04 -1.26 -2.74 135.00 137.94 1xsb s PRO 93 Ca -0.06 1.62 -0.00 0.00 0.04 0.00 0.00 61.00 62.60 1xsb s PRO 93 Cb -0.09 -3.27 0.02 0.00 0.04 0.00 0.00 34.50 31.20 1xsb s PRO 93 CO -0.00 0.29 -0.07 0.15 0.04 0.00 0.00 177.00 177.40 1xsb s LYS 94 N -0.88 1.43 -0.23 4.56 1.02 0.11 -2.17 119.74 123.58 1xsb s LYS 94 Ca 0.45 -0.22 -0.21 0.00 0.02 0.00 0.00 55.97 56.01 1xsb s LYS 94 Cb -0.28 -1.49 -0.02 0.00 -0.52 0.00 0.00 37.83 35.52 1xsb s LYS 94 CO 0.35 -0.25 0.64 0.99 -0.92 0.00 0.00 175.35 176.16 1xsb s THR 95 N 1.64 4.99 -0.18 2.17 2.01 -0.97 -3.14 115.64 122.17 1xsb s THR 95 Ca 0.03 1.18 -0.00 0.00 0.31 0.00 0.00 61.69 63.21 1xsb s THR 95 Cb -0.13 -3.95 0.01 0.00 0.01 0.00 0.00 72.50 68.44 1xsb s THR 95 CO -0.07 0.06 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.08 1xsb s VAL 96 N 2.27 2.57 -0.22 3.82 1.01 0.69 -1.09 120.40 129.44 1xsb s VAL 96 Ca 0.28 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 1xsb s VAL 96 Cb -0.16 -2.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 1xsb s VAL 96 CO 0.09 0.50 0.21 -0.63 0.00 0.00 0.00 175.10 175.28 1xsb s ILE 97 N 1.15 5.33 -0.08 2.22 -1.09 -1.08 0.11 121.20 127.77 1xsb s ILE 97 Ca 0.01 0.31 0.03 0.00 -2.23 0.00 0.00 60.65 58.77 1xsb s ILE 97 Cb -0.14 -3.55 -0.02 0.00 -1.58 0.00 0.00 42.46 37.17 1xsb s ILE 97 CO -0.06 0.34 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.52 1xsb s TYR 98 N 0.99 2.68 0.02 3.97 2.02 -0.31 -2.64 117.35 124.08 1xsb s TYR 98 Ca 0.10 -0.44 0.06 0.00 -0.37 0.00 0.00 57.07 56.43 1xsb s TYR 98 Cb -0.13 -1.70 -0.03 0.00 -0.40 0.00 0.00 41.96 39.70 1xsb s TYR 98 CO 0.04 -0.03 -0.17 -1.58 -1.57 0.00 0.00 175.55 172.25 1xsb s TRP 99 N -0.25 2.61 0.08 2.71 0.51 -1.26 -3.99 118.94 119.35 1xsb s TRP 99 Ca 0.01 -0.23 -0.30 0.00 -2.12 0.00 0.00 56.10 53.46 1xsb s TRP 99 Cb -0.13 -1.51 -0.05 0.00 -0.81 0.00 0.00 33.47 30.97 1xsb s TRP 99 CO 0.03 0.24 1.05 -0.51 -0.51 0.00 0.00 176.95 177.25 1xsb s LEU 100 N -1.27 4.43 0.07 2.99 1.43 -1.26 -1.83 118.68 123.25 1xsb s LEU 100 Ca 0.14 1.87 0.03 0.00 -1.03 0.00 0.00 54.13 55.14 1xsb s LEU 100 Cb -0.11 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 1xsb s LEU 100 CO 0.04 -0.26 -0.09 0.00 0.23 0.00 0.00 176.35 176.27 1xsb s ALA 101 N 0.52 0.88 -0.11 4.21 0.00 0.14 0.11 121.76 127.51 1xsb s ALA 101 Ca 0.52 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.47 1xsb s ALA 101 Cb -0.25 0.04 0.02 0.00 0.00 0.00 0.00 23.12 22.92 1xsb s ALA 101 CO 0.30 -0.04 -0.13 -2.00 0.00 0.00 0.00 175.76 173.89 1xsb s GLU 102 N -2.35 2.04 0.05 0.00 2.12 -0.57 0.43 118.70 120.42 1xsb s GLU 102 Ca -0.01 -0.49 -0.30 0.00 0.36 0.00 0.00 54.97 54.54 1xsb s GLU 102 Cb -0.05 -1.81 -0.04 0.00 0.26 0.00 0.00 34.13 32.48 1xsb s GLU 102 CO -0.00 -0.12 1.03 0.14 -0.54 0.00 0.00 175.26 175.77 1xsb s VAL 103 N 1.16 4.53 0.25 3.70 -7.23 -1.26 0.32 120.40 121.87 1xsb s VAL 103 Ca -0.04 1.89 -0.05 0.00 -1.81 0.00 0.00 61.98 61.98 1xsb s VAL 103 Cb -0.14 -4.21 0.23 0.00 0.56 0.00 0.00 36.38 32.82 1xsb s VAL 103 CO -0.04 0.19 1.88 0.11 -0.31 0.00 0.00 175.10 176.93 1xsb h LYS 104 N 6.42 1.07 -5.69 4.82 1.57 -1.11 -3.42 116.57 120.23 1xsb h LYS 104 Ca -0.42 -0.06 -0.66 0.00 -1.87 0.00 0.00 60.65 57.64 1xsb h LYS 104 Cb 1.22 -0.24 -0.07 0.00 0.08 0.00 0.00 32.23 33.22 1xsb h LYS 104 CO 0.75 0.71 -0.45 -0.51 -0.57 0.00 0.00 179.45 179.38 1xsb s ASP 105 N -5.88 6.43 -0.03 0.86 1.01 -1.26 -4.99 116.67 112.81 1xsb s ASP 105 Ca -0.13 0.52 -0.24 0.00 0.71 0.00 0.00 52.55 53.41 1xsb s ASP 105 Cb 0.18 -2.09 -0.20 0.00 1.01 0.00 0.00 42.92 41.82 1xsb s ASP 105 CO 0.80 0.39 1.16 1.88 0.21 0.00 0.00 175.17 179.61 1xsb h TYR 106 N 4.87 0.20 -0.20 4.23 0.05 -1.99 -2.64 116.97 121.49 1xsb h TYR 106 Ca -0.54 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.15 1xsb h TYR 106 Cb 1.23 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.93 1xsb h TYR 106 CO 0.75 0.76 0.00 -0.25 -1.05 0.00 0.00 178.16 178.37 1xsb n ASP 107 N -4.63 2.14 -4.29 3.88 8.00 -1.26 -4.93 116.55 115.45 1xsb n ASP 107 Ca -0.08 -2.21 -0.44 0.00 0.71 0.00 0.00 54.79 52.77 1xsb n ASP 107 Cb 0.39 -0.43 -0.01 0.00 -0.02 0.00 0.00 41.12 41.04 1xsb n ASP 107 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1xsb n VAL 108 N 0.20 1.18 -1.93 2.53 3.14 -1.00 -4.77 118.33 117.67 1xsb n VAL 108 Ca 0.09 -0.49 -0.38 0.00 -2.96 0.00 0.00 64.34 60.59 1xsb n VAL 108 Cb 0.44 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 33.25 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 -0.99 3.31 -0.21 1.45 -1.05 -1.26 -5.00 118.70 114.95 1xsb s GLU 109 Ca 0.60 2.08 0.02 0.00 -0.15 0.00 0.00 54.97 57.52 1xsb s GLU 109 Cb -0.75 -2.28 0.04 0.00 -0.44 0.00 0.00 34.13 30.70 1xsb s GLU 109 CO 0.59 -1.01 -0.14 0.42 0.95 0.00 0.00 175.26 176.08 1xsb s ILE 110 N -1.39 1.93 -0.30 1.83 -1.09 -1.25 -4.43 121.20 116.51 1xsb s ILE 110 Ca 0.70 -1.17 -0.07 0.00 -2.23 0.00 0.00 60.65 57.87 1xsb s ILE 110 Cb -0.36 -1.93 0.01 0.00 -1.58 0.00 0.00 42.46 38.60 1xsb s ILE 110 CO 0.43 0.23 0.09 -0.13 -1.23 0.00 0.00 174.94 174.33 1xsb s ARG 111 N 1.27 3.05 -0.11 2.79 0.52 1.28 -4.86 118.95 122.89 1xsb s ARG 111 Ca -0.02 -0.88 -0.07 0.00 -0.52 0.00 0.00 55.73 54.24 1xsb s ARG 111 Cb -0.16 -3.39 -0.04 0.00 0.52 0.00 0.00 34.95 31.87 1xsb s ARG 111 CO -0.09 -0.47 0.14 -0.51 0.02 0.00 0.00 175.30 174.39 1xsb s LEU 112 N 1.50 4.36 0.71 2.53 1.43 -1.25 0.25 118.68 128.20 1xsb s LEU 112 Ca 0.02 0.45 -0.07 0.00 -1.03 0.00 0.00 54.13 53.50 1xsb s LEU 112 Cb -0.17 -2.09 0.06 0.00 0.03 0.00 0.00 46.19 44.01 1xsb s LEU 112 CO 0.03 0.40 1.03 -0.94 0.23 0.00 0.00 176.35 177.09 1xsb s SER 113 N -1.08 4.87 0.46 2.29 1.04 -1.25 -4.83 113.70 115.21 1xsb s SER 113 Ca 0.16 0.54 0.28 0.00 0.48 0.00 0.00 55.95 57.41 1xsb s SER 113 Cb -0.12 -1.21 1.34 0.00 0.10 0.00 0.00 66.02 66.12 1xsb s SER 113 CO 0.05 -1.58 1.76 0.45 0.98 0.00 0.00 173.24 174.90 1xsb h HIS 114 N -0.62 0.37 -0.25 5.02 -0.00 -1.99 0.87 115.15 118.55 1xsb h HIS 114 Ca -0.45 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 59.91 1xsb h HIS 114 Cb 1.31 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 28.60 1xsb h HIS 114 CO 0.35 0.00 0.02 0.93 -0.00 0.00 0.00 177.93 179.23 1xsb h GLU 115 N 0.19 0.36 -6.14 2.45 5.08 -1.95 -3.39 114.58 111.18 1xsb h GLU 115 Ca 0.62 -0.06 -0.68 0.00 -1.00 0.00 0.00 59.36 58.24 1xsb h GLU 115 Cb 1.99 -0.06 -0.24 0.00 0.50 0.00 0.00 28.75 30.94 1xsb h GLU 115 CO -0.19 0.38 -0.77 -1.01 -1.00 0.00 0.00 179.01 176.41 1xsb s HIS 116 N -5.02 2.72 -0.06 4.33 3.76 0.30 0.38 115.29 121.69 1xsb s HIS 116 Ca -0.07 -0.25 0.06 0.00 -0.15 0.00 0.00 55.06 54.65 1xsb s HIS 116 Cb 0.16 -1.67 -0.09 0.00 1.11 0.00 0.00 32.58 32.10 1xsb s HIS 116 CO 0.73 0.11 0.03 0.00 -0.85 0.00 0.00 174.74 174.76 1xsb n GLN 117 N 2.53 2.76 -3.88 1.40 10.64 0.08 -3.91 117.38 127.01 1xsb n GLN 117 Ca -0.17 -0.01 -0.09 0.00 -1.83 0.00 0.00 57.00 54.90 1xsb n GLN 117 Cb 0.52 -1.17 -0.08 0.00 -0.86 0.00 0.00 30.24 28.65 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 -2.18 -0.21 0.12 2.61 0.00 -1.23 -4.97 121.76 115.90 1xsb s ALA 118 Ca -0.03 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.44 1xsb s ALA 118 Cb 0.02 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 1xsb s ALA 118 CO 0.28 -0.41 -0.04 1.52 0.00 0.00 0.00 175.76 177.11 1xsb s TYR 119 N -3.13 0.99 0.04 0.00 1.13 -1.26 0.44 117.35 115.56 1xsb s TYR 119 Ca -0.01 -0.95 0.01 0.00 -1.41 0.00 0.00 57.07 54.71 1xsb s TYR 119 Cb 0.02 -0.57 -0.03 0.00 -1.10 0.00 0.00 41.96 40.28 1xsb s TYR 119 CO -0.07 -0.18 -0.05 1.03 -2.51 0.00 0.00 175.55 173.78 1xsb s ARG 120 N -3.86 0.46 -0.35 -3.49 0.52 -0.01 -4.93 118.95 107.29 1xsb s ARG 120 Ca 0.16 -0.80 -0.05 0.00 -0.52 0.00 0.00 55.73 54.52 1xsb s ARG 120 Cb 0.06 -0.01 0.06 0.00 0.52 0.00 0.00 34.95 35.57 1xsb s ARG 120 CO -0.02 -0.03 0.11 -1.58 0.02 0.00 0.00 175.30 173.80 1xsb s TRP 121 N -1.98 3.32 0.36 -0.53 0.52 -1.26 -2.56 118.94 116.82 1xsb s TRP 121 Ca -0.09 -1.73 0.03 0.00 0.02 0.00 0.00 56.10 54.34 1xsb s TRP 121 Cb -0.06 -2.48 -0.04 0.00 -1.15 0.00 0.00 33.47 29.74 1xsb s TRP 121 CO -0.02 -0.81 0.09 -0.51 0.02 0.00 0.00 176.95 175.73 1xsb s LEU 122 N 1.32 2.04 0.00 2.99 1.02 -1.25 -4.94 118.68 119.86 1xsb s LEU 122 Ca -0.00 -1.53 -0.09 0.00 0.02 0.00 0.00 54.13 52.53 1xsb s LEU 122 Cb -0.21 -0.22 0.18 0.00 0.02 0.00 0.00 46.19 45.96 1xsb s LEU 122 CO 0.00 -0.78 1.10 0.61 0.02 0.00 0.00 176.35 177.31 1xsb n GLY 123 N -0.79 -0.63 0.37 -3.19 0.00 -1.26 -1.66 105.19 98.04 1xsb n GLY 123 Ca -0.04 -1.83 0.02 0.00 0.00 0.00 0.00 46.02 44.16 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 0.30 0.99 5.85 -1.82 0.44 115.31 122.09 1xsb h LEU 124 Ca -0.36 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 1xsb h LEU 124 Cb 1.10 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1xsb h LEU 124 CO 0.30 0.68 -0.24 1.05 -0.34 0.00 0.00 178.44 179.90 1xsb h GLU 125 N 1.17 -0.53 -0.05 1.25 4.11 -1.92 0.54 114.58 119.16 1xsb h GLU 125 Ca 0.39 0.04 -0.03 0.00 0.07 0.00 0.00 59.36 59.83 1xsb h GLU 125 Cb 0.06 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1xsb h GLU 125 CO -0.13 -0.35 -0.08 0.93 0.07 0.00 0.00 179.01 179.45 1xsb h GLU 126 N -0.55 0.14 -0.95 1.06 3.07 -1.86 0.29 114.58 115.78 1xsb h GLU 126 Ca -0.02 -0.08 0.23 0.00 -0.50 0.00 0.00 59.36 58.99 1xsb h GLU 126 Cb 0.48 0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 28.33 1xsb h GLU 126 CO -0.01 0.66 0.63 0.00 -1.40 0.00 0.00 179.01 178.89 1xsb h ALA 127 N 0.48 2.32 -0.00 3.43 0.00 -0.06 0.79 119.26 126.22 1xsb h ALA 127 Ca 0.00 0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.67 1xsb h ALA 127 Cb 0.65 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.46 1xsb h ALA 127 CO 0.02 -0.63 -1.02 0.00 0.00 0.00 0.00 179.25 177.61 1xsb h GLN 129 N 0.38 0.08 -0.13 0.00 -0.00 0.41 -3.05 115.11 112.81 1xsb h GLN 129 Ca -0.12 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.49 1xsb h GLN 129 Cb 1.67 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.48 29.13 1xsb h GLN 129 CO 0.20 0.20 -0.02 -0.07 -0.00 0.00 0.00 178.83 179.14 1xsb h LEU 130 N -0.05 0.24 -4.40 0.06 3.38 -0.22 -2.93 115.31 111.38 1xsb h LEU 130 Ca 0.02 -0.35 -0.19 0.00 0.09 0.00 0.00 57.88 57.45 1xsb h LEU 130 Cb 0.15 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1xsb h LEU 130 CO -0.00 0.53 0.29 0.00 0.09 0.00 0.00 178.44 179.35 1xsb n ALA 131 N -2.33 5.06 -0.39 1.53 0.00 -0.01 -4.26 120.51 120.12 1xsb n ALA 131 Ca -0.06 -1.51 0.34 0.00 0.00 0.00 0.00 53.44 52.22 1xsb n ALA 131 Cb 0.24 -2.41 0.59 0.00 0.00 0.00 0.00 19.45 17.86 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 2.81 -0.04 -1.67 0.00 10.64 -1.11 -3.63 117.38 124.39 1xsb n GLN 132 Ca 0.35 1.15 -0.50 0.00 -1.83 0.00 0.00 57.00 56.17 1xsb n GLN 132 Cb 0.61 -2.22 -0.05 0.00 -0.86 0.00 0.00 30.24 27.72 1xsb n GLN 132 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1xsb n PHE 133 N -4.63 2.12 -0.17 2.61 3.72 -1.26 -4.81 117.46 115.04 1xsb n PHE 133 Ca 0.36 0.29 0.06 0.00 -0.05 0.00 0.00 57.45 58.11 1xsb n PHE 133 Cb 1.34 -2.53 0.35 0.00 -0.94 0.00 0.00 39.48 37.70 1xsb n PHE 133 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1xsb h LYS 134 N 7.16 0.73 -0.78 -1.08 3.64 -1.96 -0.79 116.57 123.48 1xsb h LYS 134 Ca -0.47 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 58.94 1xsb h LYS 134 Cb 1.29 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.88 1xsb h LYS 134 CO 0.91 0.49 0.46 0.93 -2.27 0.00 0.00 179.45 179.96 1xsb h GLU 135 N 0.76 0.80 0.04 1.90 5.08 -1.89 0.57 114.58 121.84 1xsb h GLU 135 Ca 0.30 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.52 1xsb h GLU 135 Cb 0.22 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.30 1xsb h GLU 135 CO -0.10 0.53 -0.37 0.52 -1.00 0.00 0.00 179.01 178.60 1xsb h MET 136 N 0.82 0.18 -0.66 2.33 2.86 -1.60 0.73 114.93 119.60 1xsb h MET 136 Ca 0.35 -0.25 0.14 0.00 -2.06 0.00 0.00 59.70 57.89 1xsb h MET 136 Cb 0.23 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.93 1xsb h MET 136 CO -0.20 1.04 0.45 0.87 1.06 0.00 0.00 176.91 180.13 1xsb h LYS 137 N -0.57 0.29 0.01 1.72 1.57 -0.90 1.86 116.57 120.55 1xsb h LYS 137 Ca -0.06 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 1xsb h LYS 137 Cb 1.20 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 33.46 1xsb h LYS 137 CO 0.07 0.19 -0.29 0.00 -0.57 0.00 0.00 179.45 178.86 1xsb h ALA 138 N 1.68 0.02 -0.30 3.86 0.00 0.26 0.31 119.26 125.09 1xsb h ALA 138 Ca 0.32 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1xsb h ALA 138 Cb 0.82 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1xsb h ALA 138 CO -0.08 0.11 0.16 0.00 0.00 0.00 0.00 179.25 179.44 1xsb h ALA 139 N 0.23 0.36 0.00 0.00 0.00 0.29 1.24 119.26 121.38 1xsb h ALA 139 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1xsb h ALA 139 Cb 1.07 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1xsb h ALA 139 CO 0.06 -0.22 -0.28 -0.07 0.00 0.00 0.00 179.25 178.73 1xsb h LEU 140 N 0.32 0.00 0.05 0.00 3.38 0.27 -1.62 115.31 117.72 1xsb h LEU 140 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1xsb h LEU 140 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1xsb h LEU 140 CO -0.08 0.28 -0.02 1.56 0.09 0.00 0.00 178.44 180.27 1xsb h GLN 141 N 0.00 -0.07 -0.32 1.13 1.08 0.24 -3.02 115.11 114.16 1xsb h GLN 141 Ca -0.00 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 1xsb h GLN 141 Cb 0.61 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.04 1xsb h GLN 141 CO 0.04 0.54 -0.15 0.93 -0.95 0.00 0.00 178.83 179.24 1xsb h GLU 142 N -0.89 0.56 -0.10 1.46 5.08 0.14 -0.65 114.58 120.18 1xsb h GLU 142 Ca -0.01 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1xsb h GLU 142 Cb 0.64 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1xsb h GLU 142 CO 0.01 0.70 -0.03 0.78 -1.00 0.00 0.00 179.01 179.46 1xsb h GLY 143 N 0.96 0.07 0.97 -3.84 0.00 -1.39 0.55 103.07 100.38 1xsb h GLY 143 Ca 0.09 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 1xsb h GLY 143 CO 0.04 -0.05 0.21 0.84 0.00 0.00 0.00 176.54 177.58 1xsb h HIS 144 N -0.01 0.75 -0.70 5.60 -0.00 -1.36 0.86 115.15 120.28 1xsb h HIS 144 Ca 0.05 -0.05 0.03 0.00 -0.00 0.00 0.00 60.37 60.40 1xsb h HIS 144 Cb 0.09 -0.23 -0.05 0.00 -0.00 0.00 0.00 27.41 27.23 1xsb h HIS 144 CO -0.16 0.62 0.44 0.37 -0.00 0.00 0.00 177.93 179.20 1xsb h GLN 145 N 0.66 0.83 0.13 5.26 5.75 -0.38 -0.90 115.11 126.46 1xsb h GLN 145 Ca 0.17 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.61 1xsb h GLN 145 Cb 0.18 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.54 1xsb h GLN 145 CO -0.02 0.55 -0.06 0.35 -2.65 0.00 0.00 178.83 177.00 1xsb h PHE 146 N 0.85 -0.16 -0.80 3.99 3.04 0.46 -2.93 116.94 121.40 1xsb h PHE 146 Ca 0.29 -0.00 0.16 0.00 3.98 0.00 0.00 57.97 62.39 1xsb h PHE 146 Cb 0.03 0.05 -0.06 0.00 2.56 0.00 0.00 35.95 38.54 1xsb h PHE 146 CO -0.04 0.30 0.53 -0.07 -2.02 0.00 0.00 178.31 177.01 1xsb h LEU 147 N -0.71 0.43 -0.12 0.59 3.38 -0.72 1.15 115.31 119.30 1xsb h LEU 147 Ca -0.02 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xsb h LEU 147 Cb 0.53 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1xsb h LEU 147 CO 0.03 0.21 0.00 0.00 0.09 0.00 0.00 178.44 178.77 1xsb n SER 149 N -1.70 0.61 0.00 0.00 7.64 0.39 -4.84 113.62 115.72 1xsb n SER 149 Ca 0.04 -0.32 0.00 0.00 1.01 0.00 0.00 58.87 59.60 1xsb n SER 149 Cb 0.25 0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.90 1xsb n SER 149 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1xsb n ILE 150 N -1.64 0.00 0.00 0.44 5.41 -1.02 -5.10 119.36 117.46 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 0.36 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.29 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 -3.65 0.38 -0.58 -1.26 -5.12 120.64 110.41 1xsb n GLU 151 Ca 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 1xsb n GLU 151 Cb 0.00 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.80 1xsb n GLU 151 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xsb s ALA 152 N -1.86 -2.22 0.00 0.62 0.00 -1.26 -5.07 121.76 111.96 1xsb s ALA 152 Ca 0.00 1.74 0.00 0.00 0.00 0.00 0.00 51.96 53.70 1xsb s ALA 152 Cb 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.37 1xsb s ALA 152 CO 0.00 -0.14 0.00 -0.11 0.00 0.00 0.00 175.76 175.51