#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 4.51 0.14 1.61 0.04 -1.26 -5.03 135.00 135.02 1xsb s PRO 2 Ca 0.00 1.89 -0.16 0.00 0.04 0.00 0.00 61.00 62.77 1xsb s PRO 2 Cb 0.00 -3.09 -0.07 0.00 0.04 0.00 0.00 34.50 31.38 1xsb s PRO 2 CO 0.00 0.06 0.58 -0.51 0.04 0.00 0.00 177.00 177.18 1xsb s LEU 3 N -1.66 4.38 0.32 -3.56 1.43 -1.26 -5.08 118.68 113.25 1xsb s LEU 3 Ca 0.47 1.17 0.03 0.00 -1.03 0.00 0.00 54.13 54.77 1xsb s LEU 3 Cb -0.33 -3.25 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 1xsb s LEU 3 CO 0.43 0.13 0.13 -0.83 0.23 0.00 0.00 176.35 176.43 1xsb s GLY 4 N -1.58 2.12 0.74 -3.19 0.00 -1.26 -5.13 107.32 99.02 1xsb s GLY 4 Ca 0.37 -1.72 -0.15 0.00 0.00 0.00 0.00 44.72 43.22 1xsb s GLY 4 CO 0.19 -1.68 1.23 1.44 0.00 0.00 0.00 173.10 174.29 1xsb n SER 5 N -0.89 1.46 -3.64 1.64 7.64 -1.26 -5.01 113.62 113.56 1xsb n SER 5 Ca -0.01 0.70 -0.04 0.00 1.01 0.00 0.00 58.87 60.53 1xsb n SER 5 Cb 0.65 -1.52 -0.06 0.00 -1.01 0.00 0.00 64.21 62.27 1xsb n SER 5 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1xsb s MET 6 N -3.75 0.14 0.45 1.43 0.00 -1.26 -5.14 119.30 111.17 1xsb s MET 6 Ca 0.78 0.09 -0.22 0.00 0.00 0.00 0.00 55.69 56.34 1xsb s MET 6 Cb -0.33 0.07 -0.11 0.00 0.00 0.00 0.00 34.83 34.45 1xsb s MET 6 CO 0.46 -0.03 0.62 0.00 0.00 0.00 0.00 175.02 176.07 1xsb n ALA 7 N 1.12 -1.16 -2.80 4.11 0.00 -1.26 -4.72 120.51 115.80 1xsb n ALA 7 Ca -0.06 0.13 -0.36 0.00 0.00 0.00 0.00 53.44 53.15 1xsb n ALA 7 Cb 0.58 -1.83 -0.08 0.00 0.00 0.00 0.00 19.45 18.12 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 1.17 4.03 0.06 0.00 1.02 0.18 -4.97 118.68 120.17 1xsb s LEU 8 Ca 0.64 0.30 -0.27 0.00 0.02 0.00 0.00 54.13 54.83 1xsb s LEU 8 Cb -0.56 -1.97 -0.06 0.00 0.02 0.00 0.00 46.19 43.62 1xsb s LEU 8 CO 0.57 0.36 0.83 -0.60 0.02 0.00 0.00 176.35 177.53 1xsb s ARG 9 N -0.76 4.56 0.04 1.70 3.52 -1.26 -1.28 118.95 125.47 1xsb s ARG 9 Ca 0.13 1.19 -0.09 0.00 -0.13 0.00 0.00 55.73 56.82 1xsb s ARG 9 Cb -0.12 -3.37 0.00 0.00 -1.56 0.00 0.00 34.95 29.91 1xsb s ARG 9 CO 0.03 0.26 0.18 0.00 -0.81 0.00 0.00 175.30 174.96 1xsb s ALA 10 N -0.03 -0.32 -0.12 6.12 0.00 0.03 -3.48 121.76 123.96 1xsb s ALA 10 Ca 0.41 -0.34 -0.05 0.00 0.00 0.00 0.00 51.96 51.98 1xsb s ALA 10 Cb -0.21 0.30 0.06 0.00 0.00 0.00 0.00 23.12 23.26 1xsb s ALA 10 CO 0.25 -0.37 0.26 0.00 0.00 0.00 0.00 175.76 175.90 1xsb s GLY 12 N 2.07 2.58 -0.17 0.00 0.00 -1.09 -3.33 107.32 107.38 1xsb s GLY 12 Ca -0.02 -1.38 0.01 0.00 0.00 0.00 0.00 44.72 43.33 1xsb s GLY 12 CO -0.08 -1.98 -0.15 1.08 0.00 0.00 0.00 173.10 171.96 1xsb s LEU 13 N -3.67 2.01 -0.84 0.66 1.43 -1.09 -3.97 118.68 113.20 1xsb s LEU 13 Ca 0.24 -0.65 -0.23 0.00 -1.03 0.00 0.00 54.13 52.46 1xsb s LEU 13 Cb 0.05 -1.30 0.07 0.00 0.03 0.00 0.00 46.19 45.04 1xsb s LEU 13 CO 0.12 -0.06 1.21 -0.63 0.23 0.00 0.00 176.35 177.22 1xsb s ILE 14 N 1.39 4.17 0.11 -0.59 1.01 -0.78 -4.50 121.20 122.01 1xsb s ILE 14 Ca 0.03 -0.59 -0.26 0.00 0.00 0.00 0.00 60.65 59.83 1xsb s ILE 14 Cb -0.14 -4.86 -0.07 0.00 0.01 0.00 0.00 42.46 37.40 1xsb s ILE 14 CO -0.11 -1.69 0.81 -0.63 0.00 0.00 0.00 174.94 173.32 1xsb s ILE 15 N 4.36 4.52 -0.06 2.92 1.01 -1.26 -0.40 121.20 132.30 1xsb s ILE 15 Ca 0.34 1.75 -0.01 0.00 0.00 0.00 0.00 60.65 62.73 1xsb s ILE 15 Cb -0.07 -4.17 0.03 0.00 0.01 0.00 0.00 42.46 38.26 1xsb s ILE 15 CO 0.01 0.43 0.01 0.72 0.00 0.00 0.00 174.94 176.11 1xsb s PHE 16 N -0.54 0.49 -0.37 3.97 -0.71 1.35 -2.08 117.98 120.08 1xsb s PHE 16 Ca 0.39 -0.05 -0.25 0.00 -1.04 0.00 0.00 56.93 55.98 1xsb s PHE 16 Cb -0.22 -0.67 0.01 0.00 -1.21 0.00 0.00 43.02 40.93 1xsb s PHE 16 CO 0.26 -0.26 0.90 0.50 -1.34 0.00 0.00 175.22 175.27 1xsb s ARG 17 N 1.85 3.83 0.10 1.99 3.52 0.21 -3.88 118.95 126.58 1xsb s ARG 17 Ca 0.02 0.53 -0.10 0.00 -0.13 0.00 0.00 55.73 56.06 1xsb s ARG 17 Cb -0.12 -3.80 -0.06 0.00 -1.56 0.00 0.00 34.95 29.40 1xsb s ARG 17 CO -0.04 -0.93 0.43 0.50 -0.81 0.00 0.00 175.30 174.45 1xsb s ARG 18 N 3.40 3.77 0.40 5.12 3.52 -1.26 -2.52 118.95 131.38 1xsb s ARG 18 Ca 0.37 0.19 -0.02 0.00 -0.13 0.00 0.00 55.73 56.13 1xsb s ARG 18 Cb -0.12 -2.95 -0.04 0.00 -1.56 0.00 0.00 34.95 30.28 1xsb s ARG 18 CO 0.18 0.52 0.65 0.00 -0.81 0.00 0.00 175.30 175.85 1xsb h LEU 20 N 0.60 0.41 -7.49 0.00 5.85 -1.98 -3.43 115.31 109.28 1xsb h LEU 20 Ca -0.48 0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.25 1xsb h LEU 20 Cb 1.21 0.06 -0.18 0.00 0.37 0.00 0.00 40.66 42.12 1xsb h LEU 20 CO 0.62 0.13 -0.22 0.27 -0.34 0.00 0.00 178.44 178.90 1xsb s ILE 21 N -5.96 0.06 0.70 4.05 -0.00 -1.26 -5.15 121.20 113.64 1xsb s ILE 21 Ca -0.12 -0.53 -0.16 0.00 -0.00 0.00 0.00 60.65 59.84 1xsb s ILE 21 Cb 0.22 -0.80 0.02 0.00 -0.00 0.00 0.00 42.46 41.91 1xsb s ILE 21 CO 0.77 -0.29 1.23 -2.84 -0.00 0.00 0.00 174.94 173.82 1xsb s PRO 22 N -1.93 2.28 0.00 0.37 0.02 -1.26 -4.98 135.00 129.50 1xsb s PRO 22 Ca -0.09 1.86 0.00 0.00 0.02 0.00 0.00 61.00 62.79 1xsb s PRO 22 Cb -0.03 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.65 1xsb s PRO 22 CO 0.01 -1.75 0.00 1.17 -0.33 0.00 0.00 177.00 176.10 1xsb n LYS 23 N -2.44 0.00 0.00 5.54 3.00 -1.26 -4.84 118.16 118.16 1xsb n LYS 23 Ca 0.14 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.55 1xsb n LYS 23 Cb 0.50 0.00 0.49 0.00 0.00 0.00 0.00 35.03 36.02 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 -0.63 0.45 -3.65 3.15 0.31 -1.26 -4.86 118.33 111.84 1xsb n VAL 24 Ca 0.00 0.11 -0.24 0.00 -0.01 0.00 0.00 64.34 64.20 1xsb n VAL 24 Cb 0.00 -0.76 0.07 0.00 -0.91 0.00 0.00 33.84 32.23 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 -1.37 -4.67 0.00 4.52 10.43 -1.26 -4.81 116.55 119.39 1xsb n ASP 25 Ca 0.08 -0.64 0.00 0.00 2.57 0.00 0.00 54.79 56.80 1xsb n ASP 25 Cb 0.19 -4.70 0.00 0.00 1.84 0.00 0.00 41.12 38.46 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 -3.00 0.00 -0.81 -2.24 5.15 -1.26 -4.89 115.26 108.20 1xsb n ASN 26 Ca -0.07 0.00 0.03 0.00 -0.60 0.00 0.00 54.58 53.94 1xsb n ASN 26 Cb 0.59 0.03 0.13 0.00 -0.53 0.00 0.00 39.78 40.00 1xsb n ASN 26 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1xsb n ASN 27 N -1.29 2.22 -0.31 1.20 3.02 -1.26 -4.28 115.26 114.57 1xsb n ASN 27 Ca 0.00 -2.21 0.17 0.00 -0.03 0.00 0.00 54.58 52.51 1xsb n ASN 27 Cb 0.00 -0.42 0.42 0.00 -0.61 0.00 0.00 39.78 39.17 1xsb n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xsb h ALA 28 N 3.01 1.97 -3.65 5.41 0.00 -1.94 -3.39 119.26 120.67 1xsb h ALA 28 Ca 0.00 0.05 -0.67 0.00 0.00 0.00 0.00 54.91 54.29 1xsb h ALA 28 Cb 0.78 -0.05 -0.24 0.00 0.00 0.00 0.00 17.79 18.28 1xsb h ALA 28 CO 0.11 -0.31 -0.75 0.42 0.00 0.00 0.00 179.25 178.72 1xsb s ILE 29 N -5.63 3.17 0.20 0.00 1.01 -1.26 -3.60 121.20 115.09 1xsb s ILE 29 Ca -0.10 -0.65 0.10 0.00 0.00 0.00 0.00 60.65 60.01 1xsb s ILE 29 Cb 0.24 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 1xsb s ILE 29 CO 0.79 0.56 -0.21 -1.61 0.00 0.00 0.00 174.94 174.47 1xsb s GLU 30 N -0.21 1.46 0.20 2.79 2.02 -1.05 -4.06 118.70 119.85 1xsb s GLU 30 Ca 0.01 -1.54 0.11 0.00 0.02 0.00 0.00 54.97 53.57 1xsb s GLU 30 Cb -0.13 -1.62 -0.04 0.00 0.10 0.00 0.00 34.13 32.43 1xsb s GLU 30 CO 0.03 0.33 -0.20 -0.06 0.02 0.00 0.00 175.26 175.38 1xsb s PHE 31 N -2.04 2.38 -0.09 1.61 0.08 -0.56 0.68 117.98 120.04 1xsb s PHE 31 Ca 0.21 -0.32 -0.24 0.00 0.12 0.00 0.00 56.93 56.70 1xsb s PHE 31 Cb -0.06 -1.15 -0.03 0.00 -0.57 0.00 0.00 43.02 41.21 1xsb s PHE 31 CO 0.10 0.53 0.74 -1.17 -0.10 0.00 0.00 175.22 175.32 1xsb s LEU 32 N -2.84 4.28 -0.04 -0.37 2.96 -0.89 -3.66 118.68 118.12 1xsb s LEU 32 Ca 0.23 1.19 0.03 0.00 -0.22 0.00 0.00 54.13 55.36 1xsb s LEU 32 Cb -0.08 -3.13 0.00 0.00 0.50 0.00 0.00 46.19 43.48 1xsb s LEU 32 CO 0.12 -0.20 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.05 1xsb s LEU 33 N 1.18 1.84 -0.04 -0.68 1.43 -1.05 -4.64 118.68 116.72 1xsb s LEU 33 Ca 0.38 -0.29 -0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1xsb s LEU 33 Cb -0.18 -0.81 -0.03 0.00 0.03 0.00 0.00 46.19 45.20 1xsb s LEU 33 CO 0.17 0.11 0.01 -0.76 0.23 0.00 0.00 176.35 176.11 1xsb s LEU 34 N 0.16 3.58 -0.20 1.79 1.43 -1.06 -0.98 118.68 123.39 1xsb s LEU 34 Ca -0.05 0.08 -0.15 0.00 -1.03 0.00 0.00 54.13 52.97 1xsb s LEU 34 Cb -0.11 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 1xsb s LEU 34 CO 0.02 0.32 0.37 -1.58 0.23 0.00 0.00 176.35 175.72 1xsb s GLN 35 N -1.26 4.18 0.49 1.70 0.74 1.53 -3.18 119.66 123.86 1xsb s GLN 35 Ca 0.17 0.16 -0.23 0.00 0.05 0.00 0.00 55.36 55.51 1xsb s GLN 35 Cb -0.11 -3.53 -0.07 0.00 1.10 0.00 0.00 33.01 30.40 1xsb s GLN 35 CO 0.07 -0.00 1.27 0.00 -0.55 0.00 0.00 175.29 176.08 1xsb n ALA 36 N 4.36 1.31 1.59 1.58 0.00 -1.23 -1.10 120.51 127.02 1xsb n ALA 36 Ca -0.09 0.18 0.14 0.00 0.00 0.00 0.00 53.44 53.67 1xsb n ALA 36 Cb 0.51 -2.29 0.80 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.38 0.00 -2.04 0.00 3.41 0.81 -4.46 113.62 110.95 1xsb n SER 37 Ca 0.09 -0.50 -0.03 0.00 -0.26 0.00 0.00 58.87 58.17 1xsb n SER 37 Cb 0.43 -0.15 0.01 0.00 -0.26 0.00 0.00 64.21 64.24 1xsb n SER 37 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1xsb n ASP 38 N -1.15 -0.97 0.00 4.04 3.85 -1.26 -4.96 116.55 116.10 1xsb n ASP 38 Ca 0.18 -1.59 0.00 0.00 -0.71 0.00 0.00 54.79 52.67 1xsb n ASP 38 Cb 0.17 1.60 0.00 0.00 -1.35 0.00 0.00 41.12 41.54 1xsb n ASP 38 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xsb n GLY 39 N -0.32 -1.52 0.00 6.12 0.00 -1.26 -3.34 105.19 104.87 1xsb n GLY 39 Ca -0.02 -1.34 0.03 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.44 -0.61 -5.35 -1.26 -4.78 119.36 103.92 1xsb n ILE 40 Ca 0.00 0.00 -0.23 0.00 -0.27 0.00 0.00 62.75 62.25 1xsb n ILE 40 Cb 0.00 -0.52 0.07 0.00 -1.74 0.00 0.00 39.64 37.45 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 -0.73 -2.63 -1.45 4.28 8.25 -1.21 -4.95 115.22 116.77 1xsb n HIS 41 Ca 0.05 0.88 -0.32 0.00 -0.26 0.00 0.00 57.72 58.07 1xsb n HIS 41 Cb 0.02 -4.87 0.08 0.00 1.12 0.00 0.00 29.99 26.34 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 -3.28 2.44 -0.18 4.41 -3.43 -1.26 -4.65 115.29 109.35 1xsb s HIS 42 Ca 0.51 1.58 -0.09 0.00 -0.80 0.00 0.00 55.06 56.27 1xsb s HIS 42 Cb -0.22 -3.18 -0.05 0.00 -1.43 0.00 0.00 32.58 27.70 1xsb s HIS 42 CO 0.63 -1.94 0.11 -1.58 -2.00 0.00 0.00 174.74 169.96 1xsb s TRP 43 N -2.51 3.41 0.03 0.38 0.52 -1.26 -3.52 118.94 115.99 1xsb s TRP 43 Ca 0.66 0.31 -0.21 0.00 0.02 0.00 0.00 56.10 56.87 1xsb s TRP 43 Cb -0.21 -2.08 0.05 0.00 -1.15 0.00 0.00 33.47 30.08 1xsb s TRP 43 CO 0.48 0.36 0.49 0.95 0.02 0.00 0.00 176.95 179.25 1xsb s THR 44 N 0.03 0.04 0.73 2.01 -4.23 -1.19 -4.50 115.64 108.52 1xsb s THR 44 Ca 0.09 -0.29 -0.11 0.00 -1.18 0.00 0.00 61.69 60.19 1xsb s THR 44 Cb -0.11 -0.93 0.03 0.00 1.34 0.00 0.00 72.50 72.82 1xsb s THR 44 CO -0.00 -0.16 1.09 -2.16 -0.54 0.00 0.00 174.62 172.84 1xsb s PRO 45 N -2.19 2.54 -0.20 3.99 0.04 -1.26 -2.58 135.00 135.34 1xsb s PRO 45 Ca -0.07 1.16 -0.29 0.00 0.04 0.00 0.00 61.00 61.84 1xsb s PRO 45 Cb -0.01 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.53 1xsb s PRO 45 CO 0.00 -1.43 2.19 -0.35 0.04 0.00 0.00 177.00 177.45 1xsb n PRO 46 N -3.20 1.99 -4.10 0.56 -0.04 -1.26 -4.85 135.00 124.11 1xsb n PRO 46 Ca 0.09 0.58 -0.09 0.00 -0.04 0.00 0.00 63.50 64.04 1xsb n PRO 46 Cb 0.53 -3.13 -0.10 0.00 -0.04 0.00 0.00 33.50 30.76 1xsb n PRO 46 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1xsb s LYS 47 N 6.08 0.85 0.00 0.54 -2.85 -1.26 -2.68 119.74 120.43 1xsb s LYS 47 Ca 1.00 -1.33 -0.00 0.00 -1.00 0.00 0.00 55.97 54.64 1xsb s LYS 47 Cb -0.40 0.25 0.00 0.00 -2.06 0.00 0.00 37.83 35.62 1xsb s LYS 47 CO 0.38 -0.23 0.01 0.41 0.10 0.00 0.00 175.35 176.01 1xsb n GLY 48 N -0.05 1.96 3.65 0.59 0.00 -1.21 -4.99 105.19 105.14 1xsb n GLY 48 Ca -0.08 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 1xsb n GLY 48 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xsb s HIS 49 N -8.84 3.31 0.33 1.61 2.46 -1.26 -2.64 115.29 110.26 1xsb s HIS 49 Ca 0.00 0.27 -0.28 0.00 0.47 0.00 0.00 55.06 55.52 1xsb s HIS 49 Cb -0.00 -2.32 -0.10 0.00 -0.13 0.00 0.00 32.58 30.03 1xsb s HIS 49 CO 0.00 0.03 1.27 0.54 -2.47 0.00 0.00 174.74 174.11 1xsb s VAL 50 N 1.19 2.84 0.60 0.89 0.11 -1.23 -4.96 120.40 119.84 1xsb s VAL 50 Ca 0.09 0.84 -0.10 0.00 -2.93 0.00 0.00 61.98 59.88 1xsb s VAL 50 Cb -0.14 -3.53 0.15 0.00 -1.53 0.00 0.00 36.38 31.34 1xsb s VAL 50 CO 0.06 0.19 0.46 1.21 -3.33 0.00 0.00 175.10 173.68 1xsb n GLU 51 N 0.78 -2.50 0.00 1.54 2.13 -1.26 -4.96 120.64 116.37 1xsb n GLU 51 Ca 0.00 -0.74 0.00 0.00 0.66 0.00 0.00 57.16 57.08 1xsb n GLU 51 Cb 0.43 -0.79 0.00 0.00 0.27 0.00 0.00 31.44 31.35 1xsb n GLU 51 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1xsb n PRO 52 N -3.30 0.00 0.00 5.31 -0.04 -1.26 -3.86 135.00 131.86 1xsb n PRO 52 Ca 0.07 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 1xsb n PRO 52 Cb 0.27 -0.92 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 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 1.45 1.58 3.89 0.55 0.00 -1.26 -4.83 105.19 106.57 1xsb n GLY 53 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.71 3.69 0.76 1.61 2.12 -1.25 -5.08 118.70 119.84 1xsb s GLU 54 Ca 0.00 0.13 -0.12 0.00 0.36 0.00 0.00 54.97 55.34 1xsb s GLU 54 Cb 0.00 -2.60 0.05 0.00 0.26 0.00 0.00 34.13 31.83 1xsb s GLU 54 CO 0.00 0.19 1.12 0.34 -0.54 0.00 0.00 175.26 176.37 1xsb s ASP 55 N -3.02 4.93 -0.04 -1.70 -1.08 -1.26 -4.82 116.67 109.68 1xsb s ASP 55 Ca 0.46 1.07 -0.04 0.00 -0.52 0.00 0.00 52.55 53.51 1xsb s ASP 55 Cb -0.11 -1.77 -0.02 0.00 -1.46 0.00 0.00 42.92 39.56 1xsb s ASP 55 CO 0.29 -1.66 0.25 0.44 0.52 0.00 0.00 175.17 175.00 1xsb h ASP 56 N -0.88 -0.12 -0.80 -0.34 3.32 -1.98 -3.03 116.42 112.59 1xsb h ASP 56 Ca -0.46 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.60 1xsb h ASP 56 Cb 1.28 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.82 1xsb h ASP 56 CO 0.63 0.14 0.52 0.25 -1.72 0.00 0.00 179.24 179.06 1xsb h LEU 57 N -0.61 0.92 -0.85 1.55 5.85 -1.97 -1.87 115.31 118.34 1xsb h LEU 57 Ca -0.02 -0.03 0.13 0.00 0.84 0.00 0.00 57.88 58.80 1xsb h LEU 57 Cb 0.11 -0.23 -0.09 0.00 0.37 0.00 0.00 40.66 40.82 1xsb h LEU 57 CO 0.02 0.68 0.46 -0.33 -0.34 0.00 0.00 178.44 178.93 1xsb h GLU 58 N 1.08 0.67 -0.79 1.25 3.07 -1.98 0.60 114.58 118.49 1xsb h GLU 58 Ca 0.29 -0.04 0.09 0.00 -0.50 0.00 0.00 59.36 59.20 1xsb h GLU 58 Cb -0.11 -0.15 -0.07 0.00 -0.84 0.00 0.00 28.75 27.58 1xsb h GLU 58 CO -0.06 0.44 0.45 1.15 -1.40 0.00 0.00 179.01 179.59 1xsb h THR 59 N 0.69 0.91 -0.20 1.13 2.02 -1.21 1.96 112.91 118.21 1xsb h THR 59 Ca 0.45 -0.26 -0.05 0.00 0.77 0.00 0.00 66.41 67.32 1xsb h THR 59 Cb 0.57 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1xsb h THR 59 CO -0.33 0.14 -0.06 0.00 0.37 0.00 0.00 175.52 175.64 1xsb h ALA 60 N 1.44 0.28 0.16 6.16 0.00 -0.18 0.80 119.26 127.92 1xsb h ALA 60 Ca 0.38 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xsb h ALA 60 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1xsb h ALA 60 CO -0.24 0.07 -0.15 -0.07 0.00 0.00 0.00 179.25 178.86 1xsb h LEU 61 N 0.11 -0.40 -0.66 0.00 3.38 0.17 1.83 115.31 119.74 1xsb h LEU 61 Ca 0.05 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1xsb h LEU 61 Cb 0.52 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1xsb h LEU 61 CO 0.02 -0.23 0.29 -0.09 0.09 0.00 0.00 178.44 178.52 1xsb h ARG 62 N -0.34 0.97 -0.09 1.13 2.43 0.31 -2.14 114.38 116.65 1xsb h ARG 62 Ca 0.00 -0.16 -0.12 0.00 -0.81 0.00 0.00 59.98 58.89 1xsb h ARG 62 Cb 0.32 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1xsb h ARG 62 CO -0.03 0.79 -0.49 0.00 -1.51 0.00 0.00 179.97 178.73 1xsb h ALA 63 N 1.13 1.01 -0.36 2.80 0.00 0.11 0.05 119.26 124.00 1xsb h ALA 63 Ca 0.22 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1xsb h ALA 63 Cb 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1xsb h ALA 63 CO -0.02 0.65 0.21 1.15 0.00 0.00 0.00 179.25 181.24 1xsb h THR 64 N 0.18 1.13 0.16 0.00 2.02 0.34 0.24 112.91 116.99 1xsb h THR 64 Ca 0.01 -0.33 -0.31 0.00 0.77 0.00 0.00 66.41 66.56 1xsb h THR 64 Cb 0.94 0.69 0.03 0.00 -1.74 0.00 0.00 68.15 68.06 1xsb h THR 64 CO 0.08 0.13 -1.31 -0.61 0.37 0.00 0.00 175.52 174.18 1xsb h GLN 65 N 0.47 0.53 -0.60 6.66 4.15 -0.35 0.34 115.11 126.31 1xsb h GLN 65 Ca 0.13 -0.79 -0.07 0.00 0.77 0.00 0.00 58.65 58.70 1xsb h GLN 65 Cb 0.03 0.28 -0.03 0.00 0.21 0.00 0.00 27.48 27.97 1xsb h GLN 65 CO -0.02 1.36 0.11 0.93 -1.93 0.00 0.00 178.83 179.28 1xsb h GLU 66 N 0.20 0.95 -0.11 1.69 4.39 -0.87 3.53 114.58 124.36 1xsb h GLU 66 Ca -0.20 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1xsb h GLU 66 Cb 2.00 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.52 1xsb h GLU 66 CO 0.24 0.87 0.00 0.39 -1.16 0.00 0.00 179.01 179.36 1xsb n GLU 67 N -4.24 2.10 0.00 2.33 1.02 0.83 -4.10 120.64 118.59 1xsb n GLU 67 Ca 0.04 -1.89 0.00 0.00 -0.02 0.00 0.00 57.16 55.29 1xsb n GLU 67 Cb 0.26 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 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 1.25 0.18 -0.37 0.62 0.00 0.37 -4.03 120.51 118.54 1xsb n ALA 68 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 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 0.05 1.36 3.58 0.00 0.00 1.17 0.48 105.19 111.83 1xsb n GLY 69 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1xsb n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xsb s ILE 70 N -3.04 4.94 0.43 -0.61 1.01 -1.19 -4.74 121.20 117.99 1xsb s ILE 70 Ca 0.00 0.04 0.07 0.00 0.00 0.00 0.00 60.65 60.76 1xsb s ILE 70 Cb 0.00 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 1xsb s ILE 70 CO 0.00 0.35 0.20 -0.70 0.00 0.00 0.00 174.94 174.79 1xsb s GLU 71 N 1.21 2.25 0.41 2.79 2.12 -1.26 -0.73 118.70 125.48 1xsb s GLU 71 Ca 0.06 -1.85 0.19 0.00 0.36 0.00 0.00 54.97 53.73 1xsb s GLU 71 Cb -0.14 -2.00 1.12 0.00 0.26 0.00 0.00 34.13 33.36 1xsb s GLU 71 CO 0.05 -0.17 1.78 0.00 -0.54 0.00 0.00 175.26 176.38 1xsb h ALA 72 N 1.35 2.26 0.00 6.30 0.00 -1.86 2.57 119.26 129.88 1xsb h ALA 72 Ca -0.42 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1xsb h ALA 72 Cb 1.26 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xsb h ALA 72 CO 0.68 -0.65 -0.08 0.78 0.00 0.00 0.00 179.25 179.98 1xsb h GLY 73 N 0.38 0.00 -0.24 0.00 0.00 -1.98 -1.86 103.07 99.37 1xsb h GLY 73 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.91 1xsb h GLY 73 CO -0.27 0.00 -0.80 -1.06 0.00 0.00 0.00 176.54 174.41 1xsb n GLN 74 N -3.58 0.39 -2.41 4.80 6.02 0.84 -4.98 117.38 118.46 1xsb n GLN 74 Ca -0.02 -0.32 -0.04 0.00 -0.01 0.00 0.00 57.00 56.61 1xsb n GLN 74 Cb 0.20 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 29.95 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 -3.72 1.08 -0.00 0.09 -1.50 117.00 111.93 1xsb n LEU 75 Ca 0.06 -0.53 -0.28 0.00 -0.00 0.00 0.00 56.01 55.25 1xsb n LEU 75 Cb 0.37 0.17 -0.16 0.00 -0.00 0.00 0.00 43.42 43.81 1xsb n LEU 75 CO 0.38 -0.08 -0.35 -0.89 -0.00 0.00 0.00 177.39 176.44 1xsb s THR 76 N -1.79 0.59 0.04 1.47 2.01 0.26 -4.78 115.64 113.45 1xsb s THR 76 Ca 0.03 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 1xsb s THR 76 Cb 0.00 -1.23 -0.06 0.00 0.01 0.00 0.00 72.50 71.22 1xsb s THR 76 CO 0.02 -0.40 1.25 -0.63 -0.69 0.00 0.00 174.62 174.18 1xsb s ILE 77 N 1.80 3.92 0.10 1.82 -1.09 -1.26 -1.99 121.20 124.49 1xsb s ILE 77 Ca 0.03 1.35 -0.21 0.00 -2.23 0.00 0.00 60.65 59.59 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 -0.16 0.07 0.64 -0.63 -1.23 0.00 0.00 174.94 173.63 1xsb s ILE 78 N 1.44 4.64 0.11 2.92 1.09 0.20 -4.97 121.20 126.62 1xsb s ILE 78 Ca 0.60 1.38 0.02 0.00 -1.10 0.00 0.00 60.65 61.55 1xsb s ILE 78 Cb -0.30 -3.98 -0.04 0.00 -1.06 0.00 0.00 42.46 37.08 1xsb s ILE 78 CO 0.28 0.53 0.20 -1.61 -0.10 0.00 0.00 174.94 174.23 1xsb s GLU 79 N -1.03 3.25 0.00 2.79 2.02 -1.26 -4.39 118.70 120.08 1xsb s GLU 79 Ca 0.31 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.70 1xsb s GLU 79 Cb -0.21 -2.89 0.00 0.00 0.10 0.00 0.00 34.13 31.13 1xsb s GLU 79 CO 0.21 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.46 1xsb n GLY 80 N -0.04 2.96 3.44 -1.39 0.00 -1.26 -5.04 105.19 103.85 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 -2.66 2.96 -0.25 1.61 2.19 -1.26 -5.09 117.98 115.48 1xsb s PHE 81 Ca 0.00 -0.47 -0.16 0.00 0.33 0.00 0.00 56.93 56.63 1xsb s PHE 81 Cb 0.00 -1.95 0.07 0.00 -1.31 0.00 0.00 43.02 39.83 1xsb s PHE 81 CO 0.00 -0.15 0.62 0.21 1.83 0.00 0.00 175.22 177.72 1xsb s LYS 82 N 0.53 0.65 -0.27 10.12 2.20 -1.26 -4.67 119.74 127.05 1xsb s LYS 82 Ca -0.04 1.05 -0.25 0.00 -0.36 0.00 0.00 55.97 56.37 1xsb s LYS 82 Cb -0.15 0.16 0.10 0.00 -1.51 0.00 0.00 37.83 36.43 1xsb s LYS 82 CO 0.03 -0.14 0.90 0.50 -0.36 0.00 0.00 175.35 176.28 1xsb s ARG 83 N 1.28 0.66 -0.04 4.03 3.52 -1.25 -5.03 118.95 122.11 1xsb s ARG 83 Ca -0.08 0.74 0.05 0.00 -0.13 0.00 0.00 55.73 56.31 1xsb s ARG 83 Cb -0.06 0.32 -0.02 0.00 -1.56 0.00 0.00 34.95 33.63 1xsb s ARG 83 CO -0.13 -0.09 -0.17 -1.83 -0.81 0.00 0.00 175.30 172.27 1xsb s GLU 84 N 0.21 2.43 -0.34 5.12 1.03 -1.24 -1.33 118.70 124.59 1xsb s GLU 84 Ca 0.01 -0.75 -0.18 0.00 0.03 0.00 0.00 54.97 54.08 1xsb s GLU 84 Cb -0.05 -2.30 -0.01 0.00 -0.80 0.00 0.00 34.13 30.97 1xsb s GLU 84 CO -0.03 0.60 0.51 -0.51 -1.33 0.00 0.00 175.26 174.50 1xsb s LEU 85 N -0.67 4.31 -0.24 1.83 1.43 0.45 -4.69 118.68 121.10 1xsb s LEU 85 Ca 0.10 0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.22 1xsb s LEU 85 Cb -0.11 -2.59 0.02 0.00 0.03 0.00 0.00 46.19 43.55 1xsb s LEU 85 CO 0.00 -0.46 -0.07 0.54 0.23 0.00 0.00 176.35 176.60 1xsb s ASN 86 N 1.74 4.25 0.04 2.29 2.20 -1.25 -0.64 114.94 123.57 1xsb s ASN 86 Ca 0.19 -0.84 -0.20 0.00 -0.94 0.00 0.00 52.86 51.07 1xsb s ASN 86 Cb -0.15 -1.66 0.04 0.00 -2.00 0.00 0.00 41.25 37.48 1xsb s ASN 86 CO 0.13 -0.11 0.47 -0.72 -2.94 0.00 0.00 177.10 173.92 1xsb s TYR 87 N 1.33 -0.35 -0.42 1.54 1.13 -1.19 -4.88 117.35 114.50 1xsb s TYR 87 Ca 0.01 0.37 -0.07 0.00 -1.41 0.00 0.00 57.07 55.97 1xsb s TYR 87 Cb -0.16 0.28 0.10 0.00 -1.10 0.00 0.00 41.96 41.07 1xsb s TYR 87 CO -0.05 -0.60 0.25 0.54 -2.51 0.00 0.00 175.55 173.17 1xsb s VAL 88 N -2.40 3.87 0.00 -3.49 0.11 -1.26 -0.88 120.40 116.35 1xsb s VAL 88 Ca -0.06 -1.68 0.00 0.00 -2.93 0.00 0.00 61.98 57.32 1xsb s VAL 88 Cb -0.01 -3.48 0.00 0.00 -1.53 0.00 0.00 36.38 31.36 1xsb s VAL 88 CO -0.02 -0.60 0.00 0.00 -3.33 0.00 0.00 175.10 171.16 1xsb n ALA 89 N 4.80 0.00 0.25 1.54 0.00 -1.24 -4.59 120.51 121.26 1xsb n ALA 89 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.21 1xsb n ALA 89 Cb 0.42 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.74 0.00 0.00 2.43 -2.05 -3.43 114.38 110.60 1xsb h ARG 90 Ca 0.00 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1xsb h ARG 90 Cb 0.00 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1xsb h ARG 90 CO 0.00 -0.49 -0.03 0.27 -1.51 0.00 0.00 179.97 178.21 1xsb n ASN 91 N -5.47 -0.10 -3.69 -3.80 6.94 -1.26 -5.13 115.26 102.75 1xsb n ASN 91 Ca -0.10 -0.28 -0.13 0.00 -0.02 0.00 0.00 54.58 54.04 1xsb n ASN 91 Cb 0.36 0.03 -0.13 0.00 -2.36 0.00 0.00 39.78 37.68 1xsb n ASN 91 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1xsb s LYS 92 N 0.00 0.16 -0.01 -3.83 2.47 -1.26 -4.98 119.74 112.29 1xsb s LYS 92 Ca 0.00 0.64 -0.30 0.00 -1.56 0.00 0.00 55.97 54.75 1xsb s LYS 92 Cb 0.00 -0.09 -0.04 0.00 -1.46 0.00 0.00 37.83 36.23 1xsb s LYS 92 CO 0.00 -0.23 1.23 -1.25 0.16 0.00 0.00 175.35 175.26 1xsb s PRO 93 N 1.90 4.37 -0.21 4.03 0.04 -1.26 -3.71 135.00 140.16 1xsb s PRO 93 Ca -0.03 1.76 -0.01 0.00 0.04 0.00 0.00 61.00 62.75 1xsb s PRO 93 Cb -0.11 -3.49 0.01 0.00 0.04 0.00 0.00 34.50 30.95 1xsb s PRO 93 CO -0.08 -0.40 -0.12 0.15 0.04 0.00 0.00 177.00 176.59 1xsb s LYS 94 N 1.84 3.08 -0.21 4.56 1.02 -0.06 0.48 119.74 130.45 1xsb s LYS 94 Ca 0.58 -0.80 -0.25 0.00 0.02 0.00 0.00 55.97 55.53 1xsb s LYS 94 Cb -0.27 -2.81 -0.01 0.00 -0.52 0.00 0.00 37.83 34.22 1xsb s LYS 94 CO 0.25 -0.25 0.82 0.99 -0.92 0.00 0.00 175.35 176.24 1xsb s THR 95 N 1.36 4.86 -0.19 2.17 2.01 -0.41 -3.18 115.64 122.26 1xsb s THR 95 Ca 0.04 1.58 0.01 0.00 0.31 0.00 0.00 61.69 63.63 1xsb s THR 95 Cb -0.14 -4.12 0.03 0.00 0.01 0.00 0.00 72.50 68.28 1xsb s THR 95 CO -0.08 -0.02 -0.18 -0.69 -0.69 0.00 0.00 174.62 172.96 1xsb s VAL 96 N 2.51 2.04 -0.21 3.82 1.01 0.18 -0.79 120.40 128.97 1xsb s VAL 96 Ca 0.36 -1.06 -0.16 0.00 0.00 0.00 0.00 61.98 61.12 1xsb s VAL 96 Cb -0.16 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1xsb s VAL 96 CO 0.09 0.42 0.42 -0.63 0.00 0.00 0.00 175.10 175.40 1xsb s ILE 97 N 1.27 5.18 -0.11 2.22 -1.09 -1.07 0.17 121.20 127.77 1xsb s ILE 97 Ca 0.02 0.75 0.01 0.00 -2.23 0.00 0.00 60.65 59.20 1xsb s ILE 97 Cb -0.14 -3.75 -0.02 0.00 -1.58 0.00 0.00 42.46 36.97 1xsb s ILE 97 CO -0.11 0.23 -0.13 -0.31 -1.23 0.00 0.00 174.94 173.39 1xsb s TYR 98 N 1.43 2.80 -0.01 3.97 2.02 -0.44 -2.68 117.35 124.44 1xsb s TYR 98 Ca 0.20 -0.47 0.06 0.00 -0.37 0.00 0.00 57.07 56.49 1xsb s TYR 98 Cb -0.15 -1.79 -0.03 0.00 -0.40 0.00 0.00 41.96 39.60 1xsb s TYR 98 CO 0.08 -0.07 -0.17 -1.58 -1.57 0.00 0.00 175.55 172.24 1xsb s TRP 99 N 0.01 2.60 0.17 2.71 0.51 -1.25 -3.90 118.94 119.79 1xsb s TRP 99 Ca -0.04 -0.23 -0.30 0.00 -2.12 0.00 0.00 56.10 53.41 1xsb s TRP 99 Cb -0.14 -1.54 -0.07 0.00 -0.81 0.00 0.00 33.47 30.90 1xsb s TRP 99 CO 0.04 0.19 1.06 -0.51 -0.51 0.00 0.00 176.95 177.22 1xsb s LEU 100 N -1.04 4.50 0.09 2.99 1.43 -1.26 -1.88 118.68 123.53 1xsb s LEU 100 Ca 0.13 2.02 0.02 0.00 -1.03 0.00 0.00 54.13 55.27 1xsb s LEU 100 Cb -0.10 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 1xsb s LEU 100 CO 0.03 -0.16 -0.08 0.00 0.23 0.00 0.00 176.35 176.37 1xsb s ALA 101 N -0.26 0.98 -0.11 4.21 0.00 0.47 0.60 121.76 127.65 1xsb s ALA 101 Ca 0.48 -1.25 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 1xsb s ALA 101 Cb -0.28 0.11 0.03 0.00 0.00 0.00 0.00 23.12 22.98 1xsb s ALA 101 CO 0.34 -0.16 -0.05 -2.00 0.00 0.00 0.00 175.76 173.89 1xsb s GLU 102 N -3.31 1.20 0.13 0.00 2.12 -0.84 0.41 118.70 118.39 1xsb s GLU 102 Ca 0.08 -0.17 -0.30 0.00 0.36 0.00 0.00 54.97 54.94 1xsb s GLU 102 Cb 0.01 -1.45 -0.06 0.00 0.26 0.00 0.00 34.13 32.89 1xsb s GLU 102 CO -0.03 -0.31 0.99 0.14 -0.54 0.00 0.00 175.26 175.51 1xsb s VAL 103 N 1.79 4.36 0.27 3.70 -7.23 -1.26 -0.57 120.40 121.46 1xsb s VAL 103 Ca 0.04 1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 62.19 1xsb s VAL 103 Cb -0.13 -4.27 0.15 0.00 0.56 0.00 0.00 36.38 32.69 1xsb s VAL 103 CO -0.07 0.32 1.81 0.11 -0.31 0.00 0.00 175.10 176.96 1xsb h LYS 104 N 5.43 0.86 -5.74 4.82 1.79 -1.61 -3.43 116.57 118.69 1xsb h LYS 104 Ca -0.43 -0.18 -0.67 0.00 -2.18 0.00 0.00 60.65 57.19 1xsb h LYS 104 Cb 1.21 -0.13 -0.09 0.00 -1.58 0.00 0.00 32.23 31.65 1xsb h LYS 104 CO 0.72 0.77 -0.51 0.34 -1.08 0.00 0.00 179.45 179.69 1xsb s ASP 105 N -6.57 6.12 0.12 0.86 2.15 -1.26 -4.98 116.67 113.11 1xsb s ASP 105 Ca -0.10 0.38 -0.13 0.00 0.43 0.00 0.00 52.55 53.13 1xsb s ASP 105 Cb 0.15 -1.92 -0.07 0.00 -0.30 0.00 0.00 42.92 40.78 1xsb s ASP 105 CO 0.81 0.39 1.44 0.22 -0.17 0.00 0.00 175.17 177.85 1xsb h TYR 106 N 4.88 1.00 -0.48 -5.34 3.20 -2.01 -2.52 116.97 115.71 1xsb h TYR 106 Ca -0.53 -0.31 0.00 0.00 3.14 0.00 0.00 58.73 61.03 1xsb h TYR 106 Cb 1.22 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.28 1xsb h TYR 106 CO 0.72 1.10 0.00 -0.25 -1.64 0.00 0.00 178.16 178.10 1xsb n ASP 107 N -4.14 3.96 -3.93 -2.11 10.43 -1.26 -4.98 116.55 114.52 1xsb n ASP 107 Ca -0.03 -2.43 -0.39 0.00 2.57 0.00 0.00 54.79 54.50 1xsb n ASP 107 Cb 0.52 -0.54 -0.01 0.00 1.84 0.00 0.00 41.12 42.94 1xsb n ASP 107 CO 0.00 0.00 0.00 0.55 -1.07 0.00 0.00 177.20 176.68 1xsb n VAL 108 N 0.72 0.79 -1.85 2.53 3.14 -0.95 -4.76 118.33 117.95 1xsb n VAL 108 Ca 0.20 -0.45 -0.38 0.00 -2.96 0.00 0.00 64.34 60.75 1xsb n VAL 108 Cb 0.78 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 33.60 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 -0.91 3.08 -0.24 1.45 -1.05 -1.26 -4.99 118.70 114.77 1xsb s GLU 109 Ca 0.55 2.12 0.02 0.00 -0.15 0.00 0.00 54.97 57.50 1xsb s GLU 109 Cb -0.63 -2.17 0.06 0.00 -0.44 0.00 0.00 34.13 30.96 1xsb s GLU 109 CO 0.56 -1.20 -0.08 0.42 0.95 0.00 0.00 175.26 175.92 1xsb s ILE 110 N -1.37 1.77 -0.34 1.83 -1.09 -1.25 -4.43 121.20 116.32 1xsb s ILE 110 Ca 0.73 -1.37 -0.10 0.00 -2.23 0.00 0.00 60.65 57.69 1xsb s ILE 110 Cb -0.38 -1.97 0.01 0.00 -1.58 0.00 0.00 42.46 38.54 1xsb s ILE 110 CO 0.44 -0.07 0.17 -0.13 -1.23 0.00 0.00 174.94 174.11 1xsb s ARG 111 N 1.29 3.04 0.01 2.79 0.52 1.74 -4.86 118.95 123.49 1xsb s ARG 111 Ca -0.07 -0.92 -0.08 0.00 -0.52 0.00 0.00 55.73 54.14 1xsb s ARG 111 Cb -0.19 -3.61 -0.05 0.00 0.52 0.00 0.00 34.95 31.61 1xsb s ARG 111 CO -0.06 -0.56 0.30 -0.51 0.02 0.00 0.00 175.30 174.49 1xsb s LEU 112 N 1.56 4.38 0.71 2.53 1.43 -1.26 0.14 118.68 128.18 1xsb s LEU 112 Ca 0.03 0.64 -0.06 0.00 -1.03 0.00 0.00 54.13 53.71 1xsb s LEU 112 Cb -0.18 -2.68 0.08 0.00 0.03 0.00 0.00 46.19 43.44 1xsb s LEU 112 CO 0.06 0.26 1.01 -0.44 0.23 0.00 0.00 176.35 177.47 1xsb s SER 113 N -1.59 4.63 0.41 2.29 0.01 -1.25 -4.85 113.70 113.35 1xsb s SER 113 Ca 0.27 0.25 0.17 0.00 1.31 0.00 0.00 55.95 57.96 1xsb s SER 113 Cb -0.14 -0.83 1.07 0.00 0.21 0.00 0.00 66.02 66.33 1xsb s SER 113 CO 0.15 -1.69 1.84 1.12 0.41 0.00 0.00 173.24 175.07 1xsb h HIS 114 N -0.60 0.59 -0.04 2.43 2.07 -1.98 0.63 115.15 118.24 1xsb h HIS 114 Ca -0.43 0.02 -0.01 0.00 -2.85 0.00 0.00 60.37 57.09 1xsb h HIS 114 Cb 1.30 -0.18 -0.00 0.00 2.57 0.00 0.00 27.41 31.10 1xsb h HIS 114 CO 0.11 0.14 -0.05 1.49 -3.07 0.00 0.00 177.93 176.55 1xsb h GLU 115 N 0.42 0.06 -6.53 5.12 4.81 -1.95 -3.39 114.58 113.12 1xsb h GLU 115 Ca 0.50 -0.01 -0.69 0.00 -0.13 0.00 0.00 59.36 59.04 1xsb h GLU 115 Cb 1.22 -0.01 -0.23 0.00 0.63 0.00 0.00 28.75 30.36 1xsb h GLU 115 CO -0.21 0.11 -0.81 -1.01 -0.73 0.00 0.00 179.01 176.37 1xsb s HIS 116 N -4.95 2.57 0.00 0.92 3.76 0.22 0.28 115.29 118.09 1xsb s HIS 116 Ca -0.05 -0.25 0.00 0.00 -0.15 0.00 0.00 55.06 54.61 1xsb s HIS 116 Cb 0.17 -1.50 0.00 0.00 1.11 0.00 0.00 32.58 32.35 1xsb s HIS 116 CO 0.69 0.21 0.00 0.00 -0.85 0.00 0.00 174.74 174.79 1xsb n GLN 117 N 1.79 1.54 -3.79 1.40 10.64 -0.26 -3.87 117.38 124.83 1xsb n GLN 117 Ca -0.16 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 54.90 1xsb n GLN 117 Cb 0.52 -0.86 -0.07 0.00 -0.86 0.00 0.00 30.24 28.96 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 -1.51 -0.52 0.08 2.61 0.00 -1.23 -4.98 121.76 116.21 1xsb s ALA 118 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.76 1xsb s ALA 118 Cb 0.00 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 1xsb s ALA 118 CO 0.00 -0.43 -0.04 1.52 0.00 0.00 0.00 175.76 176.81 1xsb s TYR 119 N -2.90 0.70 0.03 0.00 1.13 -1.26 0.44 117.35 115.49 1xsb s TYR 119 Ca -0.02 -1.02 0.01 0.00 -1.41 0.00 0.00 57.07 54.63 1xsb s TYR 119 Cb 0.00 -0.45 -0.02 0.00 -1.10 0.00 0.00 41.96 40.39 1xsb s TYR 119 CO -0.06 -0.30 -0.06 1.03 -2.51 0.00 0.00 175.55 173.65 1xsb s ARG 120 N -3.90 0.45 -0.36 -3.49 0.52 -0.16 -4.93 118.95 107.08 1xsb s ARG 120 Ca 0.10 -0.68 -0.06 0.00 -0.52 0.00 0.00 55.73 54.58 1xsb s ARG 120 Cb 0.07 -0.17 0.06 0.00 0.52 0.00 0.00 34.95 35.43 1xsb s ARG 120 CO -0.07 0.02 0.14 -1.58 0.02 0.00 0.00 175.30 173.83 1xsb s TRP 121 N -1.33 3.33 0.36 -0.53 0.52 -1.26 -2.52 118.94 117.52 1xsb s TRP 121 Ca -0.11 -1.68 0.03 0.00 0.02 0.00 0.00 56.10 54.37 1xsb s TRP 121 Cb -0.09 -2.55 -0.04 0.00 -1.15 0.00 0.00 33.47 29.64 1xsb s TRP 121 CO -0.00 -0.81 0.11 -0.51 0.02 0.00 0.00 176.95 175.77 1xsb s LEU 122 N 1.34 1.98 0.00 2.99 1.02 -1.24 -4.94 118.68 119.83 1xsb s LEU 122 Ca 0.00 -1.56 -0.04 0.00 0.02 0.00 0.00 54.13 52.55 1xsb s LEU 122 Cb -0.21 -0.13 0.07 0.00 0.02 0.00 0.00 46.19 45.94 1xsb s LEU 122 CO 0.01 -0.83 0.42 0.61 0.02 0.00 0.00 176.35 176.58 1xsb n GLY 123 N -0.78 -0.75 0.31 -3.19 0.00 -1.26 -1.49 105.19 98.02 1xsb n GLY 123 Ca -0.04 -1.76 -0.04 0.00 0.00 0.00 0.00 46.02 44.19 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 0.90 0.70 0.99 5.85 -1.85 -0.16 115.31 121.74 1xsb h LEU 124 Ca -0.14 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 1xsb h LEU 124 Cb 0.40 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 41.22 1xsb h LEU 124 CO 0.11 0.64 -0.34 1.05 -0.34 0.00 0.00 178.44 179.57 1xsb h GLU 125 N 1.06 -0.90 -0.30 1.25 4.11 -1.94 0.59 114.58 118.45 1xsb h GLU 125 Ca 0.30 0.06 0.01 0.00 0.07 0.00 0.00 59.36 59.80 1xsb h GLU 125 Cb -0.10 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1xsb h GLU 125 CO -0.07 -0.60 0.17 0.93 0.07 0.00 0.00 179.01 179.51 1xsb h GLU 126 N -0.96 0.34 -0.12 1.06 4.39 -1.90 0.68 114.58 118.07 1xsb h GLU 126 Ca -0.10 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.62 1xsb h GLU 126 Cb 0.72 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1xsb h GLU 126 CO 0.16 0.23 0.12 0.00 -1.16 0.00 0.00 179.01 178.36 1xsb h ALA 127 N 1.13 1.75 0.00 3.43 0.00 -0.87 0.26 119.26 124.96 1xsb h ALA 127 Ca 0.12 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1xsb h ALA 127 Cb 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1xsb h ALA 127 CO -0.06 -0.19 -0.21 0.00 0.00 0.00 0.00 179.25 178.80 1xsb h GLN 129 N -1.00 0.12 -0.26 0.00 3.07 0.63 -1.22 115.11 116.44 1xsb h GLN 129 Ca -0.04 -0.01 0.01 0.00 0.09 0.00 0.00 58.65 58.70 1xsb h GLN 129 Cb 0.59 -0.03 -0.02 0.00 0.08 0.00 0.00 27.48 28.10 1xsb h GLN 129 CO -0.02 0.08 0.15 -0.07 0.09 0.00 0.00 178.83 179.06 1xsb h LEU 130 N 0.12 0.25 -4.08 0.06 3.38 -0.66 -1.38 115.31 113.01 1xsb h LEU 130 Ca 0.12 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.88 1xsb h LEU 130 Cb 0.13 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 1xsb h LEU 130 CO -0.17 0.19 -0.13 0.00 0.09 0.00 0.00 178.44 178.41 1xsb n ALA 131 N -2.19 6.31 -0.39 1.53 0.00 -0.52 -4.10 120.51 121.15 1xsb n ALA 131 Ca -0.02 -1.88 0.34 0.00 0.00 0.00 0.00 53.44 51.88 1xsb n ALA 131 Cb 0.04 -2.38 0.58 0.00 0.00 0.00 0.00 19.45 17.69 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 2.57 -0.03 -1.70 0.00 10.64 -0.52 -3.72 117.38 124.63 1xsb n GLN 132 Ca 0.44 1.10 -0.53 0.00 -1.83 0.00 0.00 57.00 56.18 1xsb n GLN 132 Cb 0.86 -2.14 -0.06 0.00 -0.86 0.00 0.00 30.24 28.04 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 -4.50 2.18 -0.29 2.61 3.72 -1.26 -4.79 117.46 115.13 1xsb n PHE 133 Ca 0.35 0.28 0.07 0.00 -0.05 0.00 0.00 57.45 58.10 1xsb n PHE 133 Cb 1.33 -2.55 0.29 0.00 -0.94 0.00 0.00 39.48 37.61 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 8.07 0.88 -0.59 -1.08 3.64 -1.95 -0.74 116.57 124.80 1xsb h LYS 134 Ca -0.47 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 58.93 1xsb h LYS 134 Cb 1.30 -0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 32.85 1xsb h LYS 134 CO 0.95 0.58 0.25 0.93 -2.27 0.00 0.00 179.45 179.89 1xsb h GLU 135 N 0.90 0.44 -0.07 1.90 5.08 -1.89 0.60 114.58 121.55 1xsb h GLU 135 Ca 0.42 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.62 1xsb h GLU 135 Cb 0.40 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.55 1xsb h GLU 135 CO -0.18 0.29 -0.47 0.52 -1.00 0.00 0.00 179.01 178.18 1xsb h MET 136 N 0.46 0.44 -0.69 2.33 2.86 -1.58 1.18 114.93 119.93 1xsb h MET 136 Ca 0.29 -0.38 0.11 0.00 -2.06 0.00 0.00 59.70 57.66 1xsb h MET 136 Cb 0.31 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.01 1xsb h MET 136 CO -0.26 1.02 0.46 0.87 1.06 0.00 0.00 176.91 180.06 1xsb h LYS 137 N -0.01 0.46 -0.00 1.72 1.57 -0.62 1.79 116.57 121.48 1xsb h LYS 137 Ca -0.04 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 1xsb h LYS 137 Cb 1.13 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 33.34 1xsb h LYS 137 CO 0.10 0.31 -0.38 0.00 -0.57 0.00 0.00 179.45 178.91 1xsb h ALA 138 N 1.66 0.05 -0.13 3.86 0.00 0.51 0.37 119.26 125.58 1xsb h ALA 138 Ca 0.33 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1xsb h ALA 138 Cb 0.62 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1xsb h ALA 138 CO -0.10 0.18 -0.01 0.00 0.00 0.00 0.00 179.25 179.32 1xsb h ALA 139 N 0.28 0.10 -0.07 0.00 0.00 0.36 2.61 119.26 122.54 1xsb h ALA 139 Ca -0.05 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1xsb h ALA 139 Cb 1.12 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1xsb h ALA 139 CO 0.07 -0.46 -0.25 -0.07 0.00 0.00 0.00 179.25 178.54 1xsb h LEU 140 N 0.03 0.11 0.05 0.00 3.38 0.26 -0.63 115.31 118.51 1xsb h LEU 140 Ca 0.06 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xsb h LEU 140 Cb 0.08 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1xsb h LEU 140 CO -0.11 0.37 -0.02 1.56 0.09 0.00 0.00 178.44 180.33 1xsb h GLN 141 N 0.11 -0.06 -0.36 1.13 1.08 0.23 -2.98 115.11 114.26 1xsb h GLN 141 Ca 0.02 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.14 1xsb h GLN 141 Cb 0.50 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.93 1xsb h GLN 141 CO 0.04 0.55 -0.11 0.93 -0.95 0.00 0.00 178.83 179.29 1xsb h GLU 142 N -0.76 0.63 0.05 1.46 5.08 0.45 -1.12 114.58 120.36 1xsb h GLU 142 Ca -0.01 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1xsb h GLU 142 Cb 0.64 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1xsb h GLU 142 CO 0.01 0.72 -0.07 0.78 -1.00 0.00 0.00 179.01 179.45 1xsb h GLY 143 N 0.96 -0.12 1.04 -3.84 0.00 -1.18 0.28 103.07 100.20 1xsb h GLY 143 Ca 0.10 0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.47 1xsb h GLY 143 CO 0.03 -0.08 0.28 0.84 0.00 0.00 0.00 176.54 177.61 1xsb h HIS 144 N -0.15 1.17 -0.64 5.60 -0.00 -1.36 0.13 115.15 119.89 1xsb h HIS 144 Ca 0.01 -0.10 0.02 0.00 -0.00 0.00 0.00 60.37 60.30 1xsb h HIS 144 Cb 0.16 -0.35 -0.04 0.00 -0.00 0.00 0.00 27.41 27.19 1xsb h HIS 144 CO -0.12 0.90 0.41 0.37 -0.00 0.00 0.00 177.93 179.49 1xsb h GLN 145 N 1.10 0.79 -0.00 5.26 5.75 -0.56 -1.61 115.11 125.85 1xsb h GLN 145 Ca 0.25 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.70 1xsb h GLN 145 Cb 0.25 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.62 1xsb h GLN 145 CO -0.02 0.53 -0.00 0.35 -2.65 0.00 0.00 178.83 177.04 1xsb h PHE 146 N 0.82 0.00 -0.76 3.99 3.04 -0.10 -3.14 116.94 120.79 1xsb h PHE 146 Ca 0.25 -0.00 0.14 0.00 3.98 0.00 0.00 57.97 62.33 1xsb h PHE 146 Cb -0.03 -0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.43 1xsb h PHE 146 CO -0.04 0.66 0.50 -0.07 -2.02 0.00 0.00 178.31 177.34 1xsb h LEU 147 N -0.66 0.45 -0.55 0.59 3.38 -0.90 0.79 115.31 118.41 1xsb h LEU 147 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xsb h LEU 147 Cb 0.66 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1xsb h LEU 147 CO 0.00 0.24 0.00 0.00 0.09 0.00 0.00 178.44 178.77 1xsb n SER 149 N -2.26 1.17 0.00 0.00 7.64 0.27 -4.84 113.62 115.60 1xsb n SER 149 Ca 0.03 -1.06 0.00 0.00 1.01 0.00 0.00 58.87 58.85 1xsb n SER 149 Cb 0.28 0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 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 -0.41 0.00 0.00 0.44 5.41 -0.99 -5.08 119.36 118.73 1xsb n ILE 150 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.89 1xsb n ILE 150 Cb 0.35 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.28 1xsb n ILE 150 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1xsb n GLU 151 N 0.00 0.00 -1.98 0.38 4.07 -1.26 -5.12 120.64 116.73 1xsb n GLU 151 Ca 0.00 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.75 1xsb n GLU 151 Cb 0.00 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.41 1xsb n GLU 151 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1xsb s ALA 152 N 0.00 2.53 0.00 4.31 0.00 -1.26 -5.18 121.76 122.17 1xsb s ALA 152 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1xsb s ALA 152 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1xsb s ALA 152 CO 0.00 -1.13 0.00 1.28 0.00 0.00 0.00 175.76 175.91