#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 4.49 -0.14 1.61 0.04 -1.26 -5.01 135.00 134.72 1xsb s PRO 2 Ca 0.00 1.88 -0.20 0.00 0.04 0.00 0.00 61.00 62.72 1xsb s PRO 2 Cb 0.00 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.44 1xsb s PRO 2 CO 0.00 0.05 0.56 -1.17 0.04 0.00 0.00 177.00 176.48 1xsb s LEU 3 N -1.71 4.23 0.00 -3.56 0.20 -1.26 -4.90 118.68 111.68 1xsb s LEU 3 Ca 0.48 0.87 0.00 0.00 0.69 0.00 0.00 54.13 56.16 1xsb s LEU 3 Cb -0.33 -2.81 0.00 0.00 -0.43 0.00 0.00 46.19 42.62 1xsb s LEU 3 CO 0.42 -0.11 0.00 0.61 -0.29 0.00 0.00 176.35 176.98 1xsb n GLY 4 N 3.46 -2.28 0.42 7.98 0.00 -1.26 -4.14 105.19 109.37 1xsb n GLY 4 Ca -0.04 -1.55 0.10 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.01 1.27 -3.09 1.61 7.64 -1.26 -4.89 113.62 114.89 1xsb n SER 5 Ca 0.00 -1.67 -0.16 0.00 1.01 0.00 0.00 58.87 58.05 1xsb n SER 5 Cb 0.00 -0.09 0.14 0.00 -1.01 0.00 0.00 64.21 63.26 1xsb n SER 5 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1xsb n MET 6 N 0.07 -3.07 -1.16 1.43 0.00 -1.26 -4.83 117.12 108.30 1xsb n MET 6 Ca 0.15 -0.79 0.12 0.00 0.00 0.00 0.00 57.70 57.18 1xsb n MET 6 Cb 0.26 -0.93 -0.06 0.00 0.00 0.00 0.00 33.22 32.48 1xsb n MET 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xsb n ALA 7 N -4.31 -2.99 -2.82 -5.12 0.00 -1.26 -4.82 120.51 99.18 1xsb n ALA 7 Ca -0.10 0.63 -0.36 0.00 0.00 0.00 0.00 53.44 53.60 1xsb n ALA 7 Cb 0.31 -1.25 -0.07 0.00 0.00 0.00 0.00 19.45 18.44 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 -6.48 4.13 0.02 0.00 1.02 0.15 -4.97 118.68 112.55 1xsb s LEU 8 Ca 0.00 0.36 -0.23 0.00 0.02 0.00 0.00 54.13 54.28 1xsb s LEU 8 Cb 0.00 -1.99 -0.05 0.00 0.02 0.00 0.00 46.19 44.16 1xsb s LEU 8 CO 0.00 0.39 0.69 -0.60 0.02 0.00 0.00 176.35 176.86 1xsb s ARG 9 N -0.95 4.42 0.05 1.70 3.52 -1.26 -1.24 118.95 125.19 1xsb s ARG 9 Ca 0.14 0.92 -0.04 0.00 -0.13 0.00 0.00 55.73 56.62 1xsb s ARG 9 Cb -0.12 -3.36 -0.02 0.00 -1.56 0.00 0.00 34.95 29.89 1xsb s ARG 9 CO 0.03 0.30 0.06 0.00 -0.81 0.00 0.00 175.30 174.88 1xsb s ALA 10 N -0.05 0.12 -0.11 6.12 0.00 0.93 -3.60 121.76 125.17 1xsb s ALA 10 Ca 0.35 -0.78 -0.05 0.00 0.00 0.00 0.00 51.96 51.49 1xsb s ALA 10 Cb -0.19 0.28 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 0.00 175.76 175.85 1xsb s GLY 12 N 1.94 2.89 -0.17 0.00 0.00 -0.96 -2.56 107.32 108.46 1xsb s GLY 12 Ca -0.03 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 43.82 1xsb s GLY 12 CO -0.08 -2.17 -0.14 1.08 0.00 0.00 0.00 173.10 171.79 1xsb s LEU 13 N -3.83 1.93 -0.45 0.66 1.43 -0.94 -3.92 118.68 113.56 1xsb s LEU 13 Ca 0.13 -0.63 -0.24 0.00 -1.03 0.00 0.00 54.13 52.36 1xsb s LEU 13 Cb 0.04 -1.24 0.03 0.00 0.03 0.00 0.00 46.19 45.04 1xsb s LEU 13 CO 0.07 -0.07 0.86 -0.63 0.23 0.00 0.00 176.35 176.80 1xsb s ILE 14 N 1.43 4.56 -0.12 -0.59 1.01 -0.64 -4.24 121.20 122.61 1xsb s ILE 14 Ca 0.03 0.63 -0.08 0.00 0.00 0.00 0.00 60.65 61.23 1xsb s ILE 14 Cb -0.14 -4.37 -0.04 0.00 0.01 0.00 0.00 42.46 37.92 1xsb s ILE 14 CO -0.10 -0.76 0.16 -0.63 0.00 0.00 0.00 174.94 173.60 1xsb s ILE 15 N 3.52 5.48 -0.07 2.92 1.01 -1.26 0.12 121.20 132.91 1xsb s ILE 15 Ca 0.34 0.25 -0.03 0.00 0.00 0.00 0.00 60.65 61.21 1xsb s ILE 15 Cb -0.11 -3.42 0.04 0.00 0.01 0.00 0.00 42.46 38.98 1xsb s ILE 15 CO 0.24 0.61 0.14 0.72 0.00 0.00 0.00 174.94 176.65 1xsb s PHE 16 N -0.98 -0.14 -0.20 3.97 -0.71 1.32 -1.90 117.98 119.35 1xsb s PHE 16 Ca 0.15 0.53 -0.28 0.00 -1.04 0.00 0.00 56.93 56.29 1xsb s PHE 16 Cb -0.12 -0.26 0.00 0.00 -1.21 0.00 0.00 43.02 41.43 1xsb s PHE 16 CO 0.04 -0.24 0.99 0.50 -1.34 0.00 0.00 175.22 175.18 1xsb s ARG 17 N 2.04 4.29 -0.06 1.99 3.52 0.55 -3.82 118.95 127.46 1xsb s ARG 17 Ca 0.01 1.30 -0.11 0.00 -0.13 0.00 0.00 55.73 56.80 1xsb s ARG 17 Cb -0.12 -3.61 -0.05 0.00 -1.56 0.00 0.00 34.95 29.61 1xsb s ARG 17 CO -0.05 -0.52 0.27 0.50 -0.81 0.00 0.00 175.30 174.69 1xsb s ARG 18 N 2.81 3.69 0.13 5.12 3.52 -1.26 -3.05 118.95 129.91 1xsb s ARG 18 Ca 0.44 0.13 -0.17 0.00 -0.13 0.00 0.00 55.73 56.00 1xsb s ARG 18 Cb -0.16 -3.21 -0.07 0.00 -1.56 0.00 0.00 34.95 29.95 1xsb s ARG 18 CO 0.09 0.72 0.58 0.00 -0.81 0.00 0.00 175.30 175.88 1xsb h LEU 20 N 3.85 0.61 -7.00 0.00 5.85 -1.94 -3.44 115.31 113.25 1xsb h LEU 20 Ca -0.49 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.40 1xsb h LEU 20 Cb 1.20 0.03 -0.16 0.00 0.37 0.00 0.00 40.66 42.09 1xsb h LEU 20 CO 0.65 0.15 0.38 0.27 -0.34 0.00 0.00 178.44 179.55 1xsb s ILE 21 N -5.85 0.00 0.60 4.05 -4.36 -1.26 -4.84 121.20 109.54 1xsb s ILE 21 Ca -0.11 0.00 -0.20 0.00 -0.26 0.00 0.00 60.65 60.08 1xsb s ILE 21 Cb 0.25 -1.00 -0.03 0.00 1.25 0.00 0.00 42.46 42.94 1xsb s ILE 21 CO 0.79 0.00 1.33 -2.65 0.24 0.00 0.00 174.94 174.65 1xsb n PRO 22 N 0.08 1.37 0.00 0.37 -0.02 -1.26 -4.95 135.00 130.59 1xsb n PRO 22 Ca -0.13 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1xsb n PRO 22 Cb 0.61 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 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 -1.52 0.00 0.07 -0.52 5.02 -1.26 -4.87 118.16 115.08 1xsb n LYS 23 Ca 0.14 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.51 1xsb n LYS 23 Cb 0.47 0.00 0.37 0.00 -0.02 0.00 0.00 35.03 35.85 1xsb n LYS 23 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xsb n VAL 24 N -0.66 1.10 -3.50 -0.18 0.31 -1.26 -4.85 118.33 109.30 1xsb n VAL 24 Ca 0.00 0.36 -0.21 0.00 -0.01 0.00 0.00 64.34 64.48 1xsb n VAL 24 Cb 0.00 -1.25 0.08 0.00 -0.91 0.00 0.00 33.84 31.76 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 -1.88 -5.10 0.00 4.52 8.00 -1.26 -4.94 116.55 115.89 1xsb n ASP 25 Ca 0.02 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 54.98 1xsb n ASP 25 Cb 0.14 -4.85 0.00 0.00 -0.02 0.00 0.00 41.12 36.40 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 -2.86 0.00 -4.09 -2.24 2.85 -1.26 -5.00 115.26 102.66 1xsb n ASN 26 Ca -0.07 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.05 1xsb n ASN 26 Cb 0.58 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.49 1xsb n ASN 26 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1xsb s ASN 27 N 0.58 5.12 0.17 1.20 3.04 -1.26 -4.94 114.94 118.84 1xsb s ASN 27 Ca 0.00 -2.40 -0.06 0.00 0.04 0.00 0.00 52.86 50.44 1xsb s ASN 27 Cb 0.00 -1.80 0.05 0.00 -1.54 0.00 0.00 41.25 37.96 1xsb s ASN 27 CO 0.00 -0.44 1.49 0.00 -3.04 0.00 0.00 177.10 175.11 1xsb h ALA 28 N 7.54 0.64 -4.51 1.71 0.00 -1.95 -3.44 119.26 119.24 1xsb h ALA 28 Ca -0.08 -0.49 -0.67 0.00 0.00 0.00 0.00 54.91 53.67 1xsb h ALA 28 Cb 1.00 -0.09 -0.29 0.00 0.00 0.00 0.00 17.79 18.40 1xsb h ALA 28 CO 0.68 0.68 -0.88 0.42 0.00 0.00 0.00 179.25 180.15 1xsb s ILE 29 N -4.16 1.96 0.14 0.00 1.01 -1.26 -3.43 121.20 115.46 1xsb s ILE 29 Ca -0.09 -1.10 0.08 0.00 0.00 0.00 0.00 60.65 59.54 1xsb s ILE 29 Cb 0.11 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 1xsb s ILE 29 CO 0.86 0.51 -0.17 -1.61 0.00 0.00 0.00 174.94 174.53 1xsb s GLU 30 N -0.69 1.16 0.14 2.79 2.02 -1.17 -4.27 118.70 118.68 1xsb s GLU 30 Ca 0.10 -1.30 0.10 0.00 0.02 0.00 0.00 54.97 53.88 1xsb s GLU 30 Cb -0.10 -1.19 -0.04 0.00 0.10 0.00 0.00 34.13 32.91 1xsb s GLU 30 CO -0.00 0.24 -0.19 -0.06 0.02 0.00 0.00 175.26 175.27 1xsb s PHE 31 N -1.92 2.48 -0.11 1.61 0.08 -0.78 -0.33 117.98 119.01 1xsb s PHE 31 Ca 0.12 -0.29 -0.25 0.00 0.12 0.00 0.00 56.93 56.62 1xsb s PHE 31 Cb -0.06 -1.29 -0.02 0.00 -0.57 0.00 0.00 43.02 41.08 1xsb s PHE 31 CO 0.05 0.42 0.81 -1.17 -0.10 0.00 0.00 175.22 175.23 1xsb s LEU 32 N -2.34 4.25 -0.05 -0.37 2.96 -0.80 -3.77 118.68 118.56 1xsb s LEU 32 Ca 0.19 1.25 0.04 0.00 -0.22 0.00 0.00 54.13 55.39 1xsb s LEU 32 Cb -0.10 -3.23 0.00 0.00 0.50 0.00 0.00 46.19 43.36 1xsb s LEU 32 CO 0.10 -0.28 -0.15 -0.76 -1.32 0.00 0.00 176.35 173.94 1xsb s LEU 33 N 1.50 1.84 -0.09 -0.68 1.43 -1.12 -4.62 118.68 116.95 1xsb s LEU 33 Ca 0.40 -0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 53.14 1xsb s LEU 33 Cb -0.18 -0.92 -0.03 0.00 0.03 0.00 0.00 46.19 45.09 1xsb s LEU 33 CO 0.17 0.11 0.02 -0.76 0.23 0.00 0.00 176.35 176.12 1xsb s LEU 34 N 0.24 3.66 -0.24 1.79 1.43 -0.98 -1.49 118.68 123.10 1xsb s LEU 34 Ca -0.07 0.18 -0.15 0.00 -1.03 0.00 0.00 54.13 53.05 1xsb s LEU 34 Cb -0.13 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1xsb s LEU 34 CO 0.03 0.38 0.36 -1.58 0.23 0.00 0.00 176.35 175.76 1xsb s GLN 35 N -0.88 4.09 0.39 1.70 -0.44 1.26 -2.25 119.66 123.53 1xsb s GLN 35 Ca 0.13 0.07 -0.27 0.00 -2.50 0.00 0.00 55.36 52.79 1xsb s GLN 35 Cb -0.11 -3.59 -0.10 0.00 -1.64 0.00 0.00 33.01 27.56 1xsb s GLN 35 CO 0.02 -0.14 1.47 0.00 0.50 0.00 0.00 175.29 177.14 1xsb s ALA 36 N 1.64 3.50 -1.23 1.58 0.00 -1.07 -0.08 121.76 126.10 1xsb s ALA 36 Ca 0.16 1.54 0.28 0.00 0.00 0.00 0.00 51.96 53.94 1xsb s ALA 36 Cb -0.15 -3.60 1.08 0.00 0.00 0.00 0.00 23.12 20.45 1xsb s ALA 36 CO 0.08 -1.08 1.79 -1.13 0.00 0.00 0.00 175.76 175.43 1xsb n SER 37 N 0.32 0.26 -4.01 0.00 3.41 0.62 -4.47 113.62 109.75 1xsb n SER 37 Ca 0.02 -0.06 -0.12 0.00 -0.26 0.00 0.00 58.87 58.45 1xsb n SER 37 Cb 0.40 -0.17 -0.09 0.00 -0.26 0.00 0.00 64.21 64.09 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 -2.81 0.33 0.00 4.04 1.01 -1.26 -4.96 116.67 113.02 1xsb s ASP 38 Ca 0.19 -1.36 0.00 0.00 0.71 0.00 0.00 52.55 52.09 1xsb s ASP 38 Cb 0.19 0.45 0.00 0.00 1.01 0.00 0.00 42.92 44.57 1xsb s ASP 38 CO 0.55 -0.95 0.00 0.61 0.21 0.00 0.00 175.17 175.59 1xsb n GLY 39 N -0.35 -1.71 0.00 0.21 0.00 -1.26 -3.72 105.19 98.36 1xsb n GLY 39 Ca 0.02 -1.57 0.04 0.00 0.00 0.00 0.00 46.02 44.51 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 -3.04 -0.61 -5.35 -1.26 -4.81 119.36 104.28 1xsb n ILE 40 Ca 0.00 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.35 1xsb n ILE 40 Cb 0.00 -0.56 0.06 0.00 -1.74 0.00 0.00 39.64 37.40 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 -0.77 -2.05 -2.73 4.28 8.25 -1.24 -5.01 115.22 115.94 1xsb n HIS 41 Ca 0.05 0.75 -0.20 0.00 -0.26 0.00 0.00 57.72 58.06 1xsb n HIS 41 Cb 0.02 -4.06 0.03 0.00 1.12 0.00 0.00 29.99 27.10 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 -3.33 2.86 -0.15 4.41 -0.00 -1.26 -4.79 115.29 113.03 1xsb s HIS 42 Ca 0.30 -0.09 -0.04 0.00 -0.00 0.00 0.00 55.06 55.22 1xsb s HIS 42 Cb -0.04 -2.66 -0.03 0.00 -0.00 0.00 0.00 32.58 29.85 1xsb s HIS 42 CO 0.63 -0.76 -0.00 -1.58 -0.00 0.00 0.00 174.74 173.02 1xsb s TRP 43 N -2.67 3.11 0.01 0.38 0.52 -1.26 -2.59 118.94 116.45 1xsb s TRP 43 Ca 0.57 -0.10 -0.20 0.00 0.02 0.00 0.00 56.10 56.38 1xsb s TRP 43 Cb -0.10 -1.96 0.04 0.00 -1.15 0.00 0.00 33.47 30.30 1xsb s TRP 43 CO 0.37 0.12 0.46 0.95 0.02 0.00 0.00 176.95 178.86 1xsb s THR 44 N 0.12 0.04 0.80 2.01 -4.23 -0.95 -4.49 115.64 108.94 1xsb s THR 44 Ca 0.01 -0.34 -0.11 0.00 -1.18 0.00 0.00 61.69 60.07 1xsb s THR 44 Cb -0.13 -0.88 0.07 0.00 1.34 0.00 0.00 72.50 72.90 1xsb s THR 44 CO 0.02 -0.19 1.09 -2.16 -0.54 0.00 0.00 174.62 172.84 1xsb s PRO 45 N -1.94 2.05 -0.57 3.99 0.04 -1.26 -2.32 135.00 134.99 1xsb s PRO 45 Ca -0.08 0.94 -0.33 0.00 0.04 0.00 0.00 61.00 61.56 1xsb s PRO 45 Cb -0.02 -1.89 -0.14 0.00 0.04 0.00 0.00 34.50 32.49 1xsb s PRO 45 CO 0.02 -1.72 2.37 -2.30 0.04 0.00 0.00 177.00 175.40 1xsb n PRO 46 N -3.55 0.64 -4.06 0.56 -0.02 -1.26 -4.81 135.00 122.50 1xsb n PRO 46 Ca 0.08 0.12 -0.36 0.00 -2.02 0.00 0.00 63.50 61.31 1xsb n PRO 46 Cb 0.54 -2.27 -0.07 0.00 -0.02 0.00 0.00 33.50 31.68 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 7.35 3.32 0.18 -0.52 1.02 -1.26 -2.22 119.74 127.61 1xsb s LYS 47 Ca 1.16 -0.24 -0.05 0.00 0.02 0.00 0.00 55.97 56.86 1xsb s LYS 47 Cb -0.92 -3.05 -0.03 0.00 -0.52 0.00 0.00 37.83 33.31 1xsb s LYS 47 CO 0.47 0.72 0.21 0.20 -0.92 0.00 0.00 175.35 176.03 1xsb s GLY 48 N -0.89 0.93 -0.12 -3.33 0.00 -1.06 -4.95 107.32 97.90 1xsb s GLY 48 Ca 0.14 -1.30 -0.01 0.00 0.00 0.00 0.00 44.72 43.54 1xsb s GLY 48 CO 0.03 -1.12 -0.08 -1.58 0.00 0.00 0.00 173.10 170.36 1xsb s HIS 49 N -4.06 2.93 -0.05 1.90 2.46 -1.26 -2.01 115.29 115.19 1xsb s HIS 49 Ca 0.27 -0.32 -0.24 0.00 0.47 0.00 0.00 55.06 55.24 1xsb s HIS 49 Cb 0.05 -1.86 -0.04 0.00 -0.13 0.00 0.00 32.58 30.60 1xsb s HIS 49 CO 0.06 0.00 0.71 0.54 -2.47 0.00 0.00 174.74 173.58 1xsb s VAL 50 N 0.06 5.02 0.74 0.89 0.11 -1.24 -4.93 120.40 121.05 1xsb s VAL 50 Ca -0.02 1.47 -0.11 0.00 -2.93 0.00 0.00 61.98 60.39 1xsb s VAL 50 Cb -0.14 -4.05 0.04 0.00 -1.53 0.00 0.00 36.38 30.70 1xsb s VAL 50 CO 0.03 0.26 1.08 -1.83 -3.33 0.00 0.00 175.10 171.31 1xsb s GLU 51 N 0.71 2.54 0.40 1.54 -1.05 -1.26 -4.87 118.70 116.72 1xsb s GLU 51 Ca 0.38 0.83 0.18 0.00 -0.15 0.00 0.00 54.97 56.20 1xsb s GLU 51 Cb -0.18 -1.96 1.08 0.00 -0.44 0.00 0.00 34.13 32.64 1xsb s GLU 51 CO 0.19 -1.34 1.80 -1.00 0.95 0.00 0.00 175.26 175.85 1xsb h PRO 52 N -0.89 0.40 -0.29 -4.83 0.13 -2.00 0.62 132.00 125.14 1xsb h PRO 52 Ca -0.45 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1xsb h PRO 52 Cb 1.24 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1xsb h PRO 52 CO 0.58 0.27 0.00 0.41 -0.23 0.00 0.00 178.00 179.02 1xsb n GLY 53 N -1.48 3.69 3.90 1.56 0.00 -1.26 -4.99 105.19 106.61 1xsb n GLY 53 Ca 0.23 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.35 3.59 0.76 1.61 2.12 0.21 -5.08 118.70 119.56 1xsb s GLU 54 Ca 0.37 -0.16 -0.11 0.00 0.36 0.00 0.00 54.97 55.43 1xsb s GLU 54 Cb 0.28 -2.86 0.05 0.00 0.26 0.00 0.00 34.13 31.86 1xsb s GLU 54 CO 0.11 0.46 1.09 0.34 -0.54 0.00 0.00 175.26 176.72 1xsb s ASP 55 N -2.58 4.82 -0.06 -1.70 2.15 -1.26 -4.63 116.67 113.41 1xsb s ASP 55 Ca 0.40 1.38 -0.08 0.00 0.43 0.00 0.00 52.55 54.68 1xsb s ASP 55 Cb -0.12 -2.16 -0.04 0.00 -0.30 0.00 0.00 42.92 40.29 1xsb s ASP 55 CO 0.26 -1.77 0.35 0.44 -0.17 0.00 0.00 175.17 174.28 1xsb h ASP 56 N -0.95 -0.24 -0.64 -0.34 3.45 -1.98 -2.99 116.42 112.73 1xsb h ASP 56 Ca -0.46 0.01 -0.04 0.00 0.43 0.00 0.00 57.03 56.97 1xsb h ASP 56 Cb 1.25 0.06 -0.03 0.00 -0.56 0.00 0.00 39.33 40.06 1xsb h ASP 56 CO 0.59 0.17 0.25 0.25 -1.57 0.00 0.00 179.24 178.93 1xsb h LEU 57 N -0.97 0.88 -1.06 1.55 5.85 -1.97 -2.40 115.31 117.20 1xsb h LEU 57 Ca -0.03 -0.17 0.12 0.00 0.84 0.00 0.00 57.88 58.63 1xsb h LEU 57 Cb 0.22 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 40.94 1xsb h LEU 57 CO 0.05 0.82 0.62 -0.33 -0.34 0.00 0.00 178.44 179.26 1xsb h GLU 58 N 0.90 0.94 -0.90 1.25 3.07 -1.97 0.48 114.58 118.34 1xsb h GLU 58 Ca 0.21 -0.06 0.05 0.00 -0.50 0.00 0.00 59.36 59.06 1xsb h GLU 58 Cb 0.21 -0.21 -0.06 0.00 -0.84 0.00 0.00 28.75 27.85 1xsb h GLU 58 CO -0.02 0.62 0.58 1.15 -1.40 0.00 0.00 179.01 179.94 1xsb h THR 59 N 0.97 1.11 -0.35 1.13 2.02 -1.27 0.89 112.91 117.40 1xsb h THR 59 Ca 0.48 -0.37 -0.11 0.00 0.77 0.00 0.00 66.41 67.18 1xsb h THR 59 Cb 0.49 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 1xsb h THR 59 CO -0.25 0.20 -0.20 0.00 0.37 0.00 0.00 175.52 175.65 1xsb h ALA 60 N 1.39 0.49 0.14 6.16 0.00 -0.29 0.85 119.26 128.01 1xsb h ALA 60 Ca 0.37 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xsb h ALA 60 Cb 0.08 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xsb h ALA 60 CO -0.14 0.44 -0.10 -0.07 0.00 0.00 0.00 179.25 179.38 1xsb h LEU 61 N 0.53 -0.24 -0.51 0.00 3.38 0.13 0.90 115.31 119.50 1xsb h LEU 61 Ca 0.07 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1xsb h LEU 61 Cb 0.74 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1xsb h LEU 61 CO 0.06 -0.16 0.28 -0.09 0.09 0.00 0.00 178.44 178.62 1xsb h ARG 62 N -0.24 0.72 -0.22 1.13 2.43 0.79 -2.15 114.38 116.84 1xsb h ARG 62 Ca -0.01 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 58.97 1xsb h ARG 62 Cb 0.21 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1xsb h ARG 62 CO 0.01 0.57 -0.29 0.00 -1.51 0.00 0.00 179.97 178.74 1xsb h ALA 63 N 1.11 1.10 -0.34 2.80 0.00 -0.50 0.19 119.26 123.63 1xsb h ALA 63 Ca 0.18 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1xsb h ALA 63 Cb 0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1xsb h ALA 63 CO -0.03 0.56 0.15 1.15 0.00 0.00 0.00 179.25 181.09 1xsb h THR 64 N 0.37 0.96 0.15 0.00 2.02 0.15 0.25 112.91 116.81 1xsb h THR 64 Ca 0.05 -0.11 -0.30 0.00 0.77 0.00 0.00 66.41 66.82 1xsb h THR 64 Cb 0.70 0.61 0.03 0.00 -1.74 0.00 0.00 68.15 67.75 1xsb h THR 64 CO 0.05 0.06 -1.29 -0.61 0.37 0.00 0.00 175.52 174.10 1xsb h GLN 65 N 0.32 0.51 -0.65 6.66 4.15 -0.63 0.33 115.11 125.80 1xsb h GLN 65 Ca 0.15 -0.76 -0.06 0.00 0.77 0.00 0.00 58.65 58.75 1xsb h GLN 65 Cb 0.08 0.26 -0.03 0.00 0.21 0.00 0.00 27.48 28.01 1xsb h GLN 65 CO -0.12 1.34 0.18 0.93 -1.93 0.00 0.00 178.83 179.23 1xsb h GLU 66 N 0.19 1.01 -0.02 1.69 5.08 -0.75 3.12 114.58 124.90 1xsb h GLU 66 Ca -0.19 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1xsb h GLU 66 Cb 1.98 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.08 1xsb h GLU 66 CO 0.24 0.89 -0.09 0.39 -1.00 0.00 0.00 179.01 179.44 1xsb n GLU 67 N -4.26 1.91 0.00 2.33 -0.58 0.87 -3.97 120.64 116.95 1xsb n GLU 67 Ca 0.05 -1.63 0.00 0.00 -0.42 0.00 0.00 57.16 55.16 1xsb n GLU 67 Cb 0.23 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 1xsb n GLU 67 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xsb n ALA 68 N 0.98 0.59 -0.44 0.62 0.00 0.11 -4.22 120.51 118.14 1xsb n ALA 68 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1xsb n ALA 68 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 0.27 0.95 3.64 0.00 0.00 1.04 0.48 105.19 111.56 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 -2.99 4.83 0.40 -0.61 1.01 -1.21 -4.76 121.20 117.87 1xsb s ILE 70 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 60.65 60.71 1xsb s ILE 70 Cb 0.00 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 1xsb s ILE 70 CO 0.00 0.45 0.21 -1.83 0.00 0.00 0.00 174.94 173.77 1xsb s GLU 71 N 0.41 2.31 0.36 2.79 -1.05 -1.26 -1.07 118.70 121.20 1xsb s GLU 71 Ca 0.03 -1.72 0.12 0.00 -0.15 0.00 0.00 54.97 53.26 1xsb s GLU 71 Cb -0.12 -2.10 0.93 0.00 -0.44 0.00 0.00 34.13 32.40 1xsb s GLU 71 CO 0.00 -0.08 1.80 0.00 0.95 0.00 0.00 175.26 177.93 1xsb h ALA 72 N 1.37 1.97 0.00 -0.84 0.00 -1.86 2.16 119.26 122.06 1xsb h ALA 72 Ca -0.43 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1xsb h ALA 72 Cb 1.26 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1xsb h ALA 72 CO 0.66 -0.32 -0.00 0.78 0.00 0.00 0.00 179.25 180.37 1xsb h GLY 73 N 0.57 0.00 -0.03 0.00 0.00 -1.99 -0.81 103.07 100.81 1xsb h GLY 73 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1xsb h GLY 73 CO -0.29 0.00 -0.80 -1.06 0.00 0.00 0.00 176.54 174.39 1xsb n GLN 74 N -3.36 1.28 -2.12 4.80 6.02 0.71 -5.00 117.38 119.71 1xsb n GLN 74 Ca -0.03 -0.04 -0.01 0.00 -0.01 0.00 0.00 57.00 56.91 1xsb n GLN 74 Cb 0.08 -1.32 -0.00 0.00 1.02 0.00 0.00 30.24 30.02 1xsb n GLN 74 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1xsb n LEU 75 N -1.35 0.00 -3.69 1.08 4.32 0.21 -1.77 117.00 115.80 1xsb n LEU 75 Ca 0.03 -0.15 -0.29 0.00 -0.02 0.00 0.00 56.01 55.58 1xsb n LEU 75 Cb 0.27 0.04 -0.16 0.00 -1.62 0.00 0.00 43.42 41.96 1xsb n LEU 75 CO 0.35 -0.02 -0.34 -0.89 -1.22 0.00 0.00 177.39 175.26 1xsb s THR 76 N -1.44 0.50 0.01 -5.08 2.01 0.01 -4.78 115.64 106.86 1xsb s THR 76 Ca 0.01 -0.90 -0.30 0.00 0.31 0.00 0.00 61.69 60.81 1xsb s THR 76 Cb 0.00 -1.24 -0.05 0.00 0.01 0.00 0.00 72.50 71.23 1xsb s THR 76 CO 0.00 -0.50 1.27 -0.63 -0.69 0.00 0.00 174.62 174.08 1xsb s ILE 77 N 1.83 3.96 0.12 1.82 -1.09 -1.26 -2.23 121.20 124.36 1xsb s ILE 77 Ca 0.05 1.35 -0.21 0.00 -2.23 0.00 0.00 60.65 59.62 1xsb s ILE 77 Cb -0.17 -3.87 -0.07 0.00 -1.58 0.00 0.00 42.46 36.77 1xsb s ILE 77 CO -0.21 0.03 0.64 -0.63 -1.23 0.00 0.00 174.94 173.55 1xsb s ILE 78 N 1.88 4.62 0.12 2.92 1.09 0.80 -4.98 121.20 127.65 1xsb s ILE 78 Ca 0.60 1.33 0.03 0.00 -1.10 0.00 0.00 60.65 61.51 1xsb s ILE 78 Cb -0.29 -3.95 -0.04 0.00 -1.06 0.00 0.00 42.46 37.13 1xsb s ILE 78 CO 0.26 0.48 0.14 -1.61 -0.10 0.00 0.00 174.94 174.11 1xsb s GLU 79 N -1.29 3.01 0.00 2.79 2.02 -1.26 -4.47 118.70 119.50 1xsb s GLU 79 Ca 0.33 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.60 1xsb s GLU 79 Cb -0.20 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.28 1xsb s GLU 79 CO 0.21 0.53 0.00 0.41 0.02 0.00 0.00 175.26 176.44 1xsb n GLY 80 N 0.02 2.34 3.49 -1.39 0.00 -1.26 -5.03 105.19 103.36 1xsb n GLY 80 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.42 3.09 -0.17 1.61 2.19 -1.26 -5.07 117.98 115.95 1xsb s PHE 81 Ca 0.00 -0.32 -0.09 0.00 0.33 0.00 0.00 56.93 56.85 1xsb s PHE 81 Cb 0.00 -2.12 0.06 0.00 -1.31 0.00 0.00 43.02 39.65 1xsb s PHE 81 CO 0.00 -0.18 0.40 0.21 1.83 0.00 0.00 175.22 177.48 1xsb s LYS 82 N 1.01 0.38 -0.27 10.12 2.20 -1.26 -4.71 119.74 127.20 1xsb s LYS 82 Ca 0.03 0.77 -0.23 0.00 -0.36 0.00 0.00 55.97 56.18 1xsb s LYS 82 Cb -0.14 -0.03 0.08 0.00 -1.51 0.00 0.00 37.83 36.23 1xsb s LYS 82 CO 0.02 -0.16 0.77 0.50 -0.36 0.00 0.00 175.35 176.12 1xsb s ARG 83 N 1.39 0.75 0.01 4.03 3.52 -1.26 -5.05 118.95 122.35 1xsb s ARG 83 Ca -0.10 0.97 0.06 0.00 -0.13 0.00 0.00 55.73 56.54 1xsb s ARG 83 Cb -0.09 0.33 -0.03 0.00 -1.56 0.00 0.00 34.95 33.60 1xsb s ARG 83 CO -0.12 -0.10 -0.18 -1.83 -0.81 0.00 0.00 175.30 172.25 1xsb s GLU 84 N 0.62 2.19 -0.30 5.12 1.03 -1.24 -1.90 118.70 124.21 1xsb s GLU 84 Ca -0.02 -0.90 -0.17 0.00 0.03 0.00 0.00 54.97 53.92 1xsb s GLU 84 Cb -0.05 -2.22 -0.02 0.00 -0.80 0.00 0.00 34.13 31.04 1xsb s GLU 84 CO -0.04 0.56 0.46 -0.51 -1.33 0.00 0.00 175.26 174.40 1xsb s LEU 85 N -1.14 4.18 -0.16 1.83 1.43 0.27 -4.73 118.68 120.35 1xsb s LEU 85 Ca 0.13 0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.41 1xsb s LEU 85 Cb -0.10 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.56 1xsb s LEU 85 CO 0.03 -0.33 -0.10 0.20 0.23 0.00 0.00 176.35 176.38 1xsb s ASN 86 N 1.67 4.10 -0.09 2.29 0.02 -1.26 -1.22 114.94 120.44 1xsb s ASN 86 Ca 0.18 -0.35 -0.30 0.00 -1.02 0.00 0.00 52.86 51.37 1xsb s ASN 86 Cb -0.16 -1.65 0.11 0.00 0.02 0.00 0.00 41.25 39.57 1xsb s ASN 86 CO 0.11 0.10 0.89 -0.72 0.02 0.00 0.00 177.10 177.50 1xsb s TYR 87 N 0.73 -0.44 -0.42 2.20 -0.85 -1.19 -4.94 117.35 112.44 1xsb s TYR 87 Ca -0.05 0.65 -0.05 0.00 -0.52 0.00 0.00 57.07 57.11 1xsb s TYR 87 Cb -0.15 0.46 0.11 0.00 0.38 0.00 0.00 41.96 42.76 1xsb s TYR 87 CO 0.02 -0.46 0.24 0.54 -1.52 0.00 0.00 175.55 174.36 1xsb s VAL 88 N -1.63 3.63 0.00 -3.49 0.11 -1.26 -1.61 120.40 116.15 1xsb s VAL 88 Ca -0.02 -1.88 0.00 0.00 -2.93 0.00 0.00 61.98 57.14 1xsb s VAL 88 Cb -0.00 -3.41 0.00 0.00 -1.53 0.00 0.00 36.38 31.43 1xsb s VAL 88 CO 0.01 -0.67 0.00 0.00 -3.33 0.00 0.00 175.10 171.11 1xsb n ALA 89 N 4.72 0.00 0.16 1.54 0.00 -1.25 -4.50 120.51 121.17 1xsb n ALA 89 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.25 1xsb n ALA 89 Cb 0.41 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.80 1xsb n ALA 89 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1xsb h ARG 90 N 0.00 -0.60 0.00 0.00 2.43 -2.05 -3.43 114.38 110.73 1xsb h ARG 90 Ca 0.00 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1xsb h ARG 90 Cb 0.00 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1xsb h ARG 90 CO 0.00 -0.40 0.00 -1.71 -1.51 0.00 0.00 179.97 176.35 1xsb n ASN 91 N -5.44 0.00 -3.87 -3.80 5.15 -1.26 -5.13 115.26 100.92 1xsb n ASN 91 Ca -0.08 -0.07 -0.23 0.00 -0.60 0.00 0.00 54.58 53.60 1xsb n ASN 91 Cb 0.34 0.00 -0.17 0.00 -0.53 0.00 0.00 39.78 39.42 1xsb n ASN 91 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1xsb s LYS 92 N 0.00 1.02 -0.08 1.20 2.47 -1.26 -5.06 119.74 118.03 1xsb s LYS 92 Ca 0.00 -0.10 -0.30 0.00 -1.56 0.00 0.00 55.97 54.01 1xsb s LYS 92 Cb 0.00 -1.13 -0.03 0.00 -1.46 0.00 0.00 37.83 35.21 1xsb s LYS 92 CO 0.00 -0.19 1.17 -1.25 0.16 0.00 0.00 175.35 175.24 1xsb s PRO 93 N 1.45 4.34 -0.16 4.03 0.04 -1.26 -3.83 135.00 139.61 1xsb s PRO 93 Ca -0.02 1.62 0.01 0.00 0.04 0.00 0.00 61.00 62.64 1xsb s PRO 93 Cb -0.13 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1xsb s PRO 93 CO -0.03 -0.47 -0.17 0.15 0.04 0.00 0.00 177.00 176.52 1xsb s LYS 94 N 2.38 3.16 -0.24 4.56 1.02 -0.63 -0.68 119.74 129.30 1xsb s LYS 94 Ca 0.54 -0.77 -0.20 0.00 0.02 0.00 0.00 55.97 55.55 1xsb s LYS 94 Cb -0.23 -2.60 -0.02 0.00 -0.52 0.00 0.00 37.83 34.46 1xsb s LYS 94 CO 0.20 -0.03 0.63 0.99 -0.92 0.00 0.00 175.35 176.22 1xsb s THR 95 N 0.91 4.99 -0.20 2.17 2.01 -0.38 -3.15 115.64 121.99 1xsb s THR 95 Ca -0.04 1.15 -0.02 0.00 0.31 0.00 0.00 61.69 63.10 1xsb s THR 95 Cb -0.15 -3.94 0.01 0.00 0.01 0.00 0.00 72.50 68.43 1xsb s THR 95 CO -0.02 0.05 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.15 1xsb s VAL 96 N 2.37 2.77 -0.20 3.82 1.01 -0.36 -0.05 120.40 129.75 1xsb s VAL 96 Ca 0.27 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 1xsb s VAL 96 Cb -0.16 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 1xsb s VAL 96 CO 0.09 0.46 0.25 -0.63 0.00 0.00 0.00 175.10 175.27 1xsb s ILE 97 N 1.39 5.32 -0.09 2.22 -1.09 -0.81 0.94 121.20 129.08 1xsb s ILE 97 Ca 0.05 0.40 0.03 0.00 -2.23 0.00 0.00 60.65 58.90 1xsb s ILE 97 Cb -0.14 -3.58 -0.02 0.00 -1.58 0.00 0.00 42.46 37.14 1xsb s ILE 97 CO -0.08 0.35 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.51 1xsb s TYR 98 N 0.86 2.69 -0.01 3.97 2.02 -0.80 -2.26 117.35 123.82 1xsb s TYR 98 Ca 0.13 -0.50 0.05 0.00 -0.37 0.00 0.00 57.07 56.38 1xsb s TYR 98 Cb -0.13 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.68 1xsb s TYR 98 CO 0.04 -0.08 -0.16 -1.58 -1.57 0.00 0.00 175.55 172.21 1xsb s TRP 99 N -0.13 2.64 0.26 2.71 0.51 -1.25 -4.06 118.94 119.62 1xsb s TRP 99 Ca -0.02 -0.20 -0.30 0.00 -2.12 0.00 0.00 56.10 53.46 1xsb s TRP 99 Cb -0.14 -1.56 -0.09 0.00 -0.81 0.00 0.00 33.47 30.87 1xsb s TRP 99 CO 0.04 0.21 1.04 -0.51 -0.51 0.00 0.00 176.95 177.22 1xsb s LEU 100 N -1.04 4.59 0.07 2.99 1.43 -1.25 -1.63 118.68 123.83 1xsb s LEU 100 Ca 0.13 2.15 0.02 0.00 -1.03 0.00 0.00 54.13 55.39 1xsb s LEU 100 Cb -0.11 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 1xsb s LEU 100 CO 0.03 -0.03 -0.07 0.00 0.23 0.00 0.00 176.35 176.51 1xsb s ALA 101 N -1.14 0.77 -0.12 4.21 0.00 0.32 -0.14 121.76 125.66 1xsb s ALA 101 Ca 0.43 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 1xsb s ALA 101 Cb -0.30 0.12 0.03 0.00 0.00 0.00 0.00 23.12 22.98 1xsb s ALA 101 CO 0.38 -0.16 -0.05 -2.00 0.00 0.00 0.00 175.76 173.93 1xsb s GLU 102 N -2.94 1.25 0.17 0.00 2.12 -0.95 0.40 118.70 118.75 1xsb s GLU 102 Ca 0.03 -0.24 -0.30 0.00 0.36 0.00 0.00 54.97 54.82 1xsb s GLU 102 Cb -0.01 -1.57 -0.07 0.00 0.26 0.00 0.00 34.13 32.74 1xsb s GLU 102 CO -0.03 -0.33 0.95 0.14 -0.54 0.00 0.00 175.26 175.44 1xsb s VAL 103 N 1.76 4.30 0.28 3.70 -7.23 -1.26 -0.81 120.40 121.15 1xsb s VAL 103 Ca 0.04 2.07 -0.00 0.00 -1.81 0.00 0.00 61.98 62.27 1xsb s VAL 103 Cb -0.13 -4.32 0.13 0.00 0.56 0.00 0.00 36.38 32.62 1xsb s VAL 103 CO -0.07 0.41 1.80 0.11 -0.31 0.00 0.00 175.10 177.03 1xsb h LYS 104 N 4.90 0.73 -5.72 4.82 1.79 -1.70 -3.43 116.57 117.96 1xsb h LYS 104 Ca -0.44 -0.18 -0.66 0.00 -2.18 0.00 0.00 60.65 57.19 1xsb h LYS 104 Cb 1.21 -0.09 -0.17 0.00 -1.58 0.00 0.00 32.23 31.59 1xsb h LYS 104 CO 0.70 0.73 -0.63 0.34 -1.08 0.00 0.00 179.45 179.51 1xsb s ASP 105 N -6.66 5.15 0.16 0.86 -1.08 -1.26 -4.99 116.67 108.85 1xsb s ASP 105 Ca -0.09 0.06 -0.11 0.00 -0.52 0.00 0.00 52.55 51.89 1xsb s ASP 105 Cb 0.15 -1.60 0.03 0.00 -1.46 0.00 0.00 42.92 40.04 1xsb s ASP 105 CO 0.80 0.30 1.61 0.22 0.52 0.00 0.00 175.17 178.62 1xsb h TYR 106 N 5.76 1.02 -0.35 -5.34 3.20 -2.02 -1.33 116.97 117.91 1xsb h TYR 106 Ca -0.44 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 61.26 1xsb h TYR 106 Cb 1.19 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.19 1xsb h TYR 106 CO 0.59 0.94 0.00 -0.40 -1.64 0.00 0.00 178.16 177.65 1xsb n ASP 107 N -4.28 2.65 -3.85 -2.11 3.85 -1.26 -4.96 116.55 106.59 1xsb n ASP 107 Ca 0.01 -2.20 -0.38 0.00 -0.71 0.00 0.00 54.79 51.51 1xsb n ASP 107 Cb 0.33 -0.40 -0.01 0.00 -1.35 0.00 0.00 41.12 39.69 1xsb n ASP 107 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 1xsb n VAL 108 N 0.51 0.83 -1.82 2.12 3.14 -0.50 -4.74 118.33 117.87 1xsb n VAL 108 Ca 0.14 -0.45 -0.39 0.00 -2.96 0.00 0.00 64.34 60.68 1xsb n VAL 108 Cb 0.50 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 33.30 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 3.47 -0.22 1.45 -1.05 -1.26 -4.99 118.70 115.21 1xsb s GLU 109 Ca 0.54 2.31 0.01 0.00 -0.15 0.00 0.00 54.97 57.68 1xsb s GLU 109 Cb -0.62 -2.49 0.05 0.00 -0.44 0.00 0.00 34.13 30.63 1xsb s GLU 109 CO 0.55 -0.95 -0.09 0.42 0.95 0.00 0.00 175.26 176.13 1xsb s ILE 110 N -1.26 1.71 -0.30 1.83 -1.09 -1.25 -4.39 121.20 116.46 1xsb s ILE 110 Ca 0.65 -1.16 -0.08 0.00 -2.23 0.00 0.00 60.65 57.83 1xsb s ILE 110 Cb -0.42 -1.83 0.00 0.00 -1.58 0.00 0.00 42.46 38.63 1xsb s ILE 110 CO 0.52 0.08 0.10 -0.13 -1.23 0.00 0.00 174.94 174.27 1xsb s ARG 111 N 1.35 3.20 -0.11 2.79 0.52 1.73 -4.86 118.95 123.56 1xsb s ARG 111 Ca -0.04 -0.79 -0.05 0.00 -0.52 0.00 0.00 55.73 54.33 1xsb s ARG 111 Cb -0.17 -3.42 -0.04 0.00 0.52 0.00 0.00 34.95 31.83 1xsb s ARG 111 CO -0.07 -0.42 0.09 -0.51 0.02 0.00 0.00 175.30 174.41 1xsb s LEU 112 N 1.54 4.08 0.70 2.53 1.43 -1.26 -0.22 118.68 127.48 1xsb s LEU 112 Ca 0.03 0.33 -0.06 0.00 -1.03 0.00 0.00 54.13 53.41 1xsb s LEU 112 Cb -0.17 -1.98 0.07 0.00 0.03 0.00 0.00 46.19 44.14 1xsb s LEU 112 CO 0.04 0.38 1.00 -0.94 0.23 0.00 0.00 176.35 177.05 1xsb s SER 113 N -0.85 4.78 0.49 2.29 1.04 -1.25 -4.83 113.70 115.36 1xsb s SER 113 Ca 0.13 0.36 0.29 0.00 0.48 0.00 0.00 55.95 57.21 1xsb s SER 113 Cb -0.12 -1.00 1.37 0.00 0.10 0.00 0.00 66.02 66.38 1xsb s SER 113 CO 0.03 -1.60 1.80 0.45 0.98 0.00 0.00 173.24 174.90 1xsb h HIS 114 N -0.56 0.25 -0.33 5.02 -0.00 -1.99 0.73 115.15 118.28 1xsb h HIS 114 Ca -0.44 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 59.92 1xsb h HIS 114 Cb 1.31 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 28.63 1xsb h HIS 114 CO 0.26 0.02 0.10 0.93 -0.00 0.00 0.00 177.93 179.24 1xsb h GLU 115 N 0.15 0.47 -6.22 2.45 3.07 -1.95 -3.38 114.58 109.17 1xsb h GLU 115 Ca 0.56 -0.06 -0.69 0.00 -0.50 0.00 0.00 59.36 58.67 1xsb h GLU 115 Cb 1.91 -0.09 -0.25 0.00 -0.84 0.00 0.00 28.75 29.48 1xsb h GLU 115 CO -0.12 0.42 -0.79 -1.01 -1.40 0.00 0.00 179.01 176.11 1xsb s HIS 116 N -5.17 2.66 -0.05 4.33 3.76 0.25 0.23 115.29 121.30 1xsb s HIS 116 Ca -0.07 -0.27 0.07 0.00 -0.15 0.00 0.00 55.06 54.63 1xsb s HIS 116 Cb 0.16 -1.64 -0.10 0.00 1.11 0.00 0.00 32.58 32.11 1xsb s HIS 116 CO 0.74 0.09 0.09 0.00 -0.85 0.00 0.00 174.74 174.81 1xsb n GLN 117 N 2.50 1.73 -3.75 1.40 10.64 0.88 -3.88 117.38 126.91 1xsb n GLN 117 Ca -0.17 -0.03 -0.10 0.00 -1.83 0.00 0.00 57.00 54.87 1xsb n GLN 117 Cb 0.52 -1.19 -0.06 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 -2.33 -0.56 0.06 2.61 0.00 -1.21 -4.97 121.76 115.35 1xsb s ALA 118 Ca -0.03 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.58 1xsb s ALA 118 Cb 0.03 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 1xsb s ALA 118 CO 0.31 -0.57 -0.05 1.52 0.00 0.00 0.00 175.76 176.97 1xsb s TYR 119 N -3.83 0.65 0.03 0.00 1.13 -1.26 0.39 117.35 114.46 1xsb s TYR 119 Ca 0.04 -0.87 0.01 0.00 -1.41 0.00 0.00 57.07 54.84 1xsb s TYR 119 Cb 0.03 -0.42 -0.02 0.00 -1.10 0.00 0.00 41.96 40.46 1xsb s TYR 119 CO -0.11 -0.23 -0.06 1.03 -2.51 0.00 0.00 175.55 173.67 1xsb s ARG 120 N -3.26 0.45 -0.36 -3.49 0.52 -0.55 -4.95 118.95 107.30 1xsb s ARG 120 Ca 0.04 -0.72 -0.06 0.00 -0.52 0.00 0.00 55.73 54.46 1xsb s ARG 120 Cb 0.02 -0.10 0.06 0.00 0.52 0.00 0.00 34.95 35.45 1xsb s ARG 120 CO -0.05 0.00 0.14 -1.58 0.02 0.00 0.00 175.30 173.83 1xsb s TRP 121 N -1.55 3.31 0.36 -0.53 0.52 -1.26 -2.79 118.94 116.99 1xsb s TRP 121 Ca -0.11 -1.58 0.03 0.00 0.02 0.00 0.00 56.10 54.46 1xsb s TRP 121 Cb -0.09 -2.52 -0.04 0.00 -1.15 0.00 0.00 33.47 29.67 1xsb s TRP 121 CO -0.01 -0.79 0.10 -0.51 0.02 0.00 0.00 176.95 175.76 1xsb s LEU 122 N 1.37 2.02 0.00 2.99 1.02 -1.25 -4.94 118.68 119.89 1xsb s LEU 122 Ca 0.00 -1.52 -0.09 0.00 0.02 0.00 0.00 54.13 52.55 1xsb s LEU 122 Cb -0.21 -0.20 0.15 0.00 0.02 0.00 0.00 46.19 45.95 1xsb s LEU 122 CO 0.02 -0.77 0.94 0.61 0.02 0.00 0.00 176.35 177.16 1xsb n GLY 123 N -0.76 -0.81 0.35 -3.19 0.00 -1.26 -1.88 105.19 97.64 1xsb n GLY 123 Ca -0.04 -1.79 -0.02 0.00 0.00 0.00 0.00 46.02 44.17 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 1.04 0.21 0.99 5.85 -1.95 0.43 115.31 121.88 1xsb h LEU 124 Ca -0.30 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.40 1xsb h LEU 124 Cb 0.91 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1xsb h LEU 124 CO 0.24 0.73 -0.24 1.05 -0.34 0.00 0.00 178.44 179.89 1xsb h GLU 125 N 1.22 -0.47 -0.06 1.25 4.11 -1.96 0.61 114.58 119.28 1xsb h GLU 125 Ca 0.35 0.03 -0.04 0.00 0.07 0.00 0.00 59.36 59.78 1xsb h GLU 125 Cb -0.08 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1xsb h GLU 125 CO -0.10 -0.32 -0.11 0.93 0.07 0.00 0.00 179.01 179.49 1xsb h GLU 126 N -0.49 0.18 -0.89 1.06 3.07 -1.87 0.39 114.58 116.03 1xsb h GLU 126 Ca 0.00 -0.11 0.22 0.00 -0.50 0.00 0.00 59.36 58.97 1xsb h GLU 126 Cb 0.47 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.34 1xsb h GLU 126 CO -0.07 0.69 0.60 0.00 -1.40 0.00 0.00 179.01 178.84 1xsb h ALA 127 N 0.48 2.43 0.13 3.43 0.00 -0.03 0.68 119.26 126.37 1xsb h ALA 127 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 1xsb h ALA 127 Cb 0.69 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.51 1xsb h ALA 127 CO 0.02 -0.70 -1.25 0.00 0.00 0.00 0.00 179.25 177.33 1xsb h GLN 129 N 0.23 0.26 -0.23 0.00 -0.00 0.45 -3.06 115.11 112.75 1xsb h GLN 129 Ca -0.18 -0.06 -0.04 0.00 -0.00 0.00 0.00 58.65 58.37 1xsb h GLN 129 Cb 1.92 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.48 29.36 1xsb h GLN 129 CO 0.23 0.39 -0.00 -0.07 -0.00 0.00 0.00 178.83 179.37 1xsb h LEU 130 N 0.09 0.41 -4.71 0.06 3.38 -0.21 -3.05 115.31 111.28 1xsb h LEU 130 Ca 0.05 -0.31 -0.39 0.00 0.09 0.00 0.00 57.88 57.32 1xsb h LEU 130 Cb 0.24 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1xsb h LEU 130 CO -0.00 0.62 1.79 0.00 0.09 0.00 0.00 178.44 180.95 1xsb n ALA 131 N -2.34 6.13 -0.41 1.53 0.00 -0.61 -4.29 120.51 120.52 1xsb n ALA 131 Ca -0.04 -2.35 0.35 0.00 0.00 0.00 0.00 53.44 51.40 1xsb n ALA 131 Cb 0.24 -2.83 0.58 0.00 0.00 0.00 0.00 19.45 17.45 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 3.25 -0.03 -1.68 0.00 -0.00 -1.16 -3.72 117.38 114.04 1xsb n GLN 132 Ca 0.53 1.07 -0.44 0.00 -0.00 0.00 0.00 57.00 58.16 1xsb n GLN 132 Cb 0.45 -2.12 -0.04 0.00 -0.00 0.00 0.00 30.24 28.54 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 -4.41 2.49 -0.12 2.61 3.01 -1.26 -4.83 117.46 114.95 1xsb n PHE 133 Ca 0.35 -0.09 0.09 0.00 1.01 0.00 0.00 57.45 58.81 1xsb n PHE 133 Cb 1.35 -2.70 0.42 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 8.58 0.57 -0.66 -1.08 3.64 -1.96 -0.56 116.57 125.09 1xsb h LYS 134 Ca -0.47 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 58.95 1xsb h LYS 134 Cb 1.24 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.87 1xsb h LYS 134 CO 0.94 0.37 0.33 0.93 -2.27 0.00 0.00 179.45 179.75 1xsb h GLU 135 N 0.58 0.57 0.11 1.90 5.08 -1.89 0.76 114.58 121.69 1xsb h GLU 135 Ca 0.28 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.43 1xsb h GLU 135 Cb 0.36 -0.13 0.02 0.00 0.50 0.00 0.00 28.75 29.50 1xsb h GLU 135 CO -0.09 0.38 -0.78 0.52 -1.00 0.00 0.00 179.01 178.04 1xsb h MET 136 N 0.59 0.33 -0.46 2.33 2.86 -1.57 0.29 114.93 119.29 1xsb h MET 136 Ca 0.31 -0.51 0.08 0.00 -2.06 0.00 0.00 59.70 57.52 1xsb h MET 136 Cb 0.28 0.18 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 1xsb h MET 136 CO -0.23 1.22 0.31 0.87 1.06 0.00 0.00 176.91 180.14 1xsb h LYS 137 N -0.30 0.28 0.00 1.72 1.57 -0.81 1.06 116.57 120.09 1xsb h LYS 137 Ca -0.13 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1xsb h LYS 137 Cb 1.58 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.83 1xsb h LYS 137 CO 0.15 0.19 -0.03 0.00 -0.57 0.00 0.00 179.45 179.19 1xsb h ALA 138 N 1.76 0.00 -0.38 3.86 0.00 0.60 0.66 119.26 125.77 1xsb h ALA 138 Ca 0.21 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1xsb h ALA 138 Cb 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1xsb h ALA 138 CO -0.04 -0.07 0.13 0.00 0.00 0.00 0.00 179.25 179.27 1xsb h ALA 139 N 0.18 0.44 -0.05 0.00 0.00 0.71 1.69 119.26 122.23 1xsb h ALA 139 Ca -0.00 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1xsb h ALA 139 Cb 0.85 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1xsb h ALA 139 CO 0.00 -0.26 -0.14 -0.07 0.00 0.00 0.00 179.25 178.78 1xsb h LEU 140 N 0.29 0.06 0.06 0.00 3.38 0.11 0.34 115.31 119.54 1xsb h LEU 140 Ca 0.17 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1xsb h LEU 140 Cb 0.15 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1xsb h LEU 140 CO -0.18 0.22 -0.03 1.56 0.09 0.00 0.00 178.44 180.10 1xsb h GLN 141 N 0.07 -0.08 -0.45 1.13 1.08 0.22 -2.89 115.11 114.19 1xsb h GLN 141 Ca 0.01 0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.14 1xsb h GLN 141 Cb 0.30 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.72 1xsb h GLN 141 CO 0.02 0.51 -0.04 0.93 -0.95 0.00 0.00 178.83 179.30 1xsb h GLU 142 N -0.82 0.76 -0.22 1.46 5.08 0.24 -0.15 114.58 120.94 1xsb h GLU 142 Ca -0.01 -0.22 0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1xsb h GLU 142 Cb 0.63 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1xsb h GLU 142 CO 0.01 0.80 0.06 0.78 -1.00 0.00 0.00 179.01 179.66 1xsb h GLY 143 N 0.97 0.26 0.97 -3.84 0.00 -1.01 0.53 103.07 100.94 1xsb h GLY 143 Ca 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 1xsb h GLY 143 CO 0.03 0.01 0.19 0.84 0.00 0.00 0.00 176.54 177.61 1xsb h HIS 144 N 0.16 0.76 -0.68 5.60 -0.00 -1.26 0.09 115.15 119.82 1xsb h HIS 144 Ca 0.10 -0.06 0.01 0.00 -0.00 0.00 0.00 60.37 60.42 1xsb h HIS 144 Cb 0.08 -0.23 -0.03 0.00 -0.00 0.00 0.00 27.41 27.23 1xsb h HIS 144 CO -0.13 0.64 0.45 0.37 -0.00 0.00 0.00 177.93 179.25 1xsb h GLN 145 N 0.66 0.88 0.07 5.26 5.75 -0.23 -1.58 115.11 125.93 1xsb h GLN 145 Ca 0.16 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.61 1xsb h GLN 145 Cb 0.21 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 28.56 1xsb h GLN 145 CO -0.01 0.58 -0.04 0.35 -2.65 0.00 0.00 178.83 177.07 1xsb h PHE 146 N 0.91 -0.09 -0.76 3.99 3.04 0.31 -3.08 116.94 121.26 1xsb h PHE 146 Ca 0.25 -0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.32 1xsb h PHE 146 Cb -0.10 0.03 -0.05 0.00 2.56 0.00 0.00 35.95 38.39 1xsb h PHE 146 CO -0.03 0.43 0.50 -0.07 -2.02 0.00 0.00 178.31 177.12 1xsb h LEU 147 N -0.69 0.50 -0.57 0.59 3.38 -0.94 0.85 115.31 118.43 1xsb h LEU 147 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xsb h LEU 147 Cb 0.56 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1xsb h LEU 147 CO 0.02 0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.83 1xsb n SER 149 N -2.11 0.54 0.00 0.00 7.64 0.29 -4.82 113.62 115.17 1xsb n SER 149 Ca 0.02 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1xsb n SER 149 Cb 0.22 0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 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 -1.71 0.00 0.00 0.44 5.41 -0.88 -5.05 119.36 117.57 1xsb n ILE 150 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1xsb n ILE 150 Cb 0.37 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.30 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 -0.85 0.38 1.02 -1.26 -4.96 120.64 114.98 1xsb n GLU 151 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1xsb n GLU 151 Cb 0.00 -0.30 0.00 0.00 -0.02 0.00 0.00 31.44 31.12 1xsb n GLU 151 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xsb n ALA 152 N -2.15 0.00 0.20 0.62 0.00 -1.26 -5.04 120.51 112.88 1xsb n ALA 152 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1xsb n ALA 152 Cb 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 19.45 19.18 1xsb n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78