#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsc s PRO 2 N 0.00 3.66 -0.12 1.61 0.04 -1.26 -4.94 135.00 133.99 1xsc s PRO 2 Ca 0.00 1.31 -0.29 0.00 0.04 0.00 0.00 61.00 62.06 1xsc s PRO 2 Cb 0.00 -4.03 -0.06 0.00 0.04 0.00 0.00 34.50 30.44 1xsc s PRO 2 CO 0.00 -1.45 2.14 -1.17 0.04 0.00 0.00 177.00 176.56 1xsc s LEU 3 N 5.42 3.80 0.13 -3.56 1.98 -1.26 -4.94 118.68 120.25 1xsc s LEU 3 Ca 0.67 2.18 -0.13 0.00 -2.89 0.00 0.00 54.13 53.96 1xsc s LEU 3 Cb -0.19 -3.52 0.02 0.00 0.66 0.00 0.00 46.19 43.16 1xsc s LEU 3 CO 0.30 -1.64 0.34 -0.83 -1.89 0.00 0.00 176.35 172.63 1xsc s GLY 4 N 6.96 -0.07 1.19 7.98 0.00 -1.26 -5.16 107.32 116.95 1xsc s GLY 4 Ca 0.97 -0.32 -0.14 0.00 0.00 0.00 0.00 44.72 45.23 1xsc s GLY 4 CO 0.38 -0.50 0.81 -1.14 0.00 0.00 0.00 173.10 172.64 1xsc n SER 5 N -0.19 -2.01 -4.68 1.64 3.41 -1.26 -4.84 113.62 105.70 1xsc n SER 5 Ca -0.14 -0.20 -0.44 0.00 -0.26 0.00 0.00 58.87 57.83 1xsc n SER 5 Cb 0.63 -1.19 -0.04 0.00 -0.26 0.00 0.00 64.21 63.36 1xsc n SER 5 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1xsc n MET 6 N -4.47 2.58 -1.43 4.33 0.00 -1.26 -4.66 117.12 112.21 1xsc n MET 6 Ca 0.02 0.94 0.18 0.00 0.00 0.00 0.00 57.70 58.84 1xsc n MET 6 Cb 0.56 -2.83 -0.07 0.00 0.00 0.00 0.00 33.22 30.87 1xsc n MET 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xsc n ALA 7 N 6.19 -3.77 -2.72 3.17 0.00 -1.26 -4.87 120.51 117.25 1xsc n ALA 7 Ca 0.20 0.75 -0.34 0.00 0.00 0.00 0.00 53.44 54.04 1xsc n ALA 7 Cb 0.35 -1.47 -0.11 0.00 0.00 0.00 0.00 19.45 18.22 1xsc n ALA 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xsc s LEU 8 N -7.12 3.35 -0.02 0.00 1.02 0.23 -4.97 118.68 111.17 1xsc s LEU 8 Ca 0.00 0.02 -0.28 0.00 0.02 0.00 0.00 54.13 53.88 1xsc s LEU 8 Cb 0.00 -1.77 -0.03 0.00 0.02 0.00 0.00 46.19 44.41 1xsc s LEU 8 CO 0.00 0.32 0.90 -0.60 0.02 0.00 0.00 176.35 176.99 1xsc s ARG 9 N -0.52 4.52 0.12 1.70 3.52 -1.26 -0.05 118.95 126.98 1xsc s ARG 9 Ca 0.08 1.27 -0.03 0.00 -0.13 0.00 0.00 55.73 56.92 1xsc s ARG 9 Cb -0.12 -3.46 -0.03 0.00 -1.56 0.00 0.00 34.95 29.78 1xsc s ARG 9 CO 0.02 -0.03 0.10 0.00 -0.81 0.00 0.00 175.30 174.58 1xsc s ALA 10 N 1.01 0.55 -0.21 6.12 0.00 0.21 -2.65 121.76 126.78 1xsc s ALA 10 Ca 0.48 -1.24 -0.09 0.00 0.00 0.00 0.00 51.96 51.11 1xsc s ALA 10 Cb -0.20 0.74 0.09 0.00 0.00 0.00 0.00 23.12 23.75 1xsc s ALA 10 CO 0.25 -0.50 0.46 0.00 0.00 0.00 0.00 175.76 175.97 1xsc s GLY 12 N 2.22 2.64 -0.15 0.00 0.00 0.18 0.05 107.32 112.27 1xsc s GLY 12 Ca -0.05 -1.46 -0.00 0.00 0.00 0.00 0.00 44.72 43.21 1xsc s GLY 12 CO -0.14 -2.08 -0.08 1.08 0.00 0.00 0.00 173.10 171.88 1xsc s LEU 13 N -3.88 1.53 -0.93 0.66 1.43 -1.09 -3.62 118.68 112.79 1xsc s LEU 13 Ca 0.26 -0.52 -0.21 0.00 -1.03 0.00 0.00 54.13 52.63 1xsc s LEU 13 Cb 0.04 -0.97 0.08 0.00 0.03 0.00 0.00 46.19 45.38 1xsc s LEU 13 CO 0.14 -0.13 1.26 -0.63 0.23 0.00 0.00 176.35 177.22 1xsc s ILE 14 N 1.61 4.28 0.31 -0.59 1.01 0.23 -4.40 121.20 123.64 1xsc s ILE 14 Ca 0.03 -0.98 -0.23 0.00 0.00 0.00 0.00 60.65 59.48 1xsc s ILE 14 Cb -0.14 -4.90 -0.10 0.00 0.01 0.00 0.00 42.46 37.34 1xsc s ILE 14 CO -0.09 -1.71 0.87 -0.63 0.00 0.00 0.00 174.94 173.39 1xsc s ILE 15 N 4.00 4.37 -0.15 2.92 1.01 -1.26 -0.27 121.20 131.81 1xsc s ILE 15 Ca 0.37 1.57 -0.06 0.00 0.00 0.00 0.00 60.65 62.54 1xsc s ILE 15 Cb -0.04 -3.89 0.07 0.00 0.01 0.00 0.00 42.46 38.61 1xsc s ILE 15 CO -0.06 0.08 0.33 0.72 0.00 0.00 0.00 174.94 176.00 1xsc s PHE 16 N -1.69 -0.56 -0.38 3.97 -0.12 0.77 -1.78 117.98 118.19 1xsc s PHE 16 Ca 0.50 1.17 -0.25 0.00 -0.05 0.00 0.00 56.93 58.30 1xsc s PHE 16 Cb -0.16 0.11 0.02 0.00 -0.63 0.00 0.00 43.02 42.35 1xsc s PHE 16 CO 0.21 -0.39 0.91 0.50 -0.05 0.00 0.00 175.22 176.40 1xsc s ARG 17 N 2.33 3.79 -0.47 1.99 3.00 0.30 -3.79 118.95 126.10 1xsc s ARG 17 Ca -0.01 0.49 -0.22 0.00 -1.00 0.00 0.00 55.73 54.99 1xsc s ARG 17 Cb -0.12 -3.82 0.03 0.00 0.00 0.00 0.00 34.95 31.05 1xsc s ARG 17 CO -0.10 -0.97 0.73 0.50 0.00 0.00 0.00 175.30 175.46 1xsc s ARG 18 N 3.46 3.29 0.68 5.12 3.52 -1.26 -2.24 118.95 131.52 1xsc s ARG 18 Ca 0.37 -0.38 -0.14 0.00 -0.13 0.00 0.00 55.73 55.45 1xsc s ARG 18 Cb -0.12 -3.99 0.01 0.00 -1.56 0.00 0.00 34.95 29.29 1xsc s ARG 18 CO 0.19 -1.16 1.11 0.00 -0.81 0.00 0.00 175.30 174.63 1xsc n LEU 20 N -2.61 0.00 -4.68 0.00 -0.00 -1.26 -4.83 117.00 103.61 1xsc n LEU 20 Ca 0.10 0.41 -0.31 0.00 -0.00 0.00 0.00 56.01 56.22 1xsc n LEU 20 Cb 0.52 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.86 1xsc n LEU 20 CO 0.49 0.00 -0.33 0.27 -0.00 0.00 0.00 177.39 177.81 1xsc s ILE 21 N -0.83 4.03 0.66 1.47 -5.25 -1.26 -5.12 121.20 114.91 1xsc s ILE 21 Ca 0.00 -0.93 -0.13 0.00 -0.99 0.00 0.00 60.65 58.60 1xsc s ILE 21 Cb 0.00 -2.90 -0.01 0.00 2.95 0.00 0.00 42.46 42.50 1xsc s ILE 21 CO 0.00 0.16 1.06 -2.84 -1.79 0.00 0.00 174.94 171.53 1xsc s PRO 22 N -2.18 3.03 0.00 0.37 0.02 -1.26 -5.04 135.00 129.93 1xsc s PRO 22 Ca 0.25 1.08 0.00 0.00 0.02 0.00 0.00 61.00 62.35 1xsc s PRO 22 Cb -0.12 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.41 1xsc s PRO 22 CO 0.17 -1.03 0.00 1.63 -0.33 0.00 0.00 177.00 177.44 1xsc n LYS 23 N -2.71 0.00 -0.42 5.54 4.01 -1.26 -4.83 118.16 118.49 1xsc n LYS 23 Ca 0.08 0.00 0.10 0.00 -0.51 0.00 0.00 58.31 57.98 1xsc n LYS 23 Cb 0.53 -0.04 0.31 0.00 -0.51 0.00 0.00 35.03 35.32 1xsc n LYS 23 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1xsc n VAL 24 N -1.45 1.25 -3.37 -0.18 0.31 -1.26 -4.96 118.33 108.68 1xsc n VAL 24 Ca 0.00 -1.07 -0.17 0.00 -0.01 0.00 0.00 64.34 63.08 1xsc n VAL 24 Cb 0.00 0.39 0.08 0.00 -0.91 0.00 0.00 33.84 33.40 1xsc n VAL 24 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1xsc n ASP 25 N 1.33 -2.95 -3.71 4.52 9.92 -1.26 -5.01 116.55 119.38 1xsc n ASP 25 Ca 0.23 -0.56 -0.22 0.00 -0.53 0.00 0.00 54.79 53.72 1xsc n ASP 25 Cb 0.68 -4.77 -0.18 0.00 -0.64 0.00 0.00 41.12 36.21 1xsc n ASP 25 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1xsc s ASN 26 N -4.04 1.46 0.00 -2.24 4.22 -1.26 -4.95 114.94 108.13 1xsc s ASN 26 Ca 0.12 -0.06 0.00 0.00 -2.14 0.00 0.00 52.86 50.78 1xsc s ASN 26 Cb -0.05 -0.29 0.00 0.00 1.28 0.00 0.00 41.25 42.18 1xsc s ASN 26 CO 0.68 -0.23 0.00 0.59 -2.04 0.00 0.00 177.10 176.09 1xsc n ASN 27 N 5.22 0.00 0.00 3.54 4.13 -1.26 -4.80 115.26 122.09 1xsc n ASN 27 Ca -0.05 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.21 1xsc n ASN 27 Cb 0.50 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 1xsc n ASN 27 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xsc n ALA 28 N 0.00 0.00 -2.24 5.41 0.00 -1.26 -4.80 120.51 117.62 1xsc n ALA 28 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1xsc n ALA 28 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1xsc n ALA 28 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xsc s ILE 29 N 0.00 4.82 -0.05 0.00 1.01 -1.26 -4.05 121.20 121.67 1xsc s ILE 29 Ca 0.00 0.54 -0.00 0.00 0.00 0.00 0.00 60.65 61.19 1xsc s ILE 29 Cb 0.00 -3.72 0.03 0.00 0.01 0.00 0.00 42.46 38.77 1xsc s ILE 29 CO 0.00 -0.46 -0.01 -1.61 0.00 0.00 0.00 174.94 172.86 1xsc s GLU 30 N -3.73 0.61 0.14 2.79 2.02 -0.95 -4.27 118.70 115.31 1xsc s GLU 30 Ca 0.50 0.03 -0.13 0.00 0.02 0.00 0.00 54.97 55.40 1xsc s GLU 30 Cb -0.10 -0.83 -0.07 0.00 0.10 0.00 0.00 34.13 33.23 1xsc s GLU 30 CO 0.30 -0.20 0.52 -0.06 0.02 0.00 0.00 175.26 175.84 1xsc s PHE 31 N 1.44 3.59 0.13 1.61 0.08 0.32 0.11 117.98 125.26 1xsc s PHE 31 Ca -0.03 0.99 -0.24 0.00 0.12 0.00 0.00 56.93 57.77 1xsc s PHE 31 Cb -0.13 -2.32 -0.07 0.00 -0.57 0.00 0.00 43.02 39.93 1xsc s PHE 31 CO -0.03 0.44 0.74 -1.17 -0.10 0.00 0.00 175.22 175.10 1xsc s LEU 32 N -2.00 4.56 0.01 -0.37 2.96 -0.73 -2.36 118.68 120.74 1xsc s LEU 32 Ca 0.37 1.54 0.00 0.00 -0.22 0.00 0.00 54.13 55.83 1xsc s LEU 32 Cb -0.15 -3.22 -0.01 0.00 0.50 0.00 0.00 46.19 43.32 1xsc s LEU 32 CO 0.19 0.18 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.62 1xsc s LEU 33 N -0.93 2.10 -0.27 -0.68 1.43 -0.83 -4.40 118.68 115.10 1xsc s LEU 33 Ca 0.35 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 1xsc s LEU 33 Cb -0.22 -0.02 0.07 0.00 0.03 0.00 0.00 46.19 46.05 1xsc s LEU 33 CO 0.24 -0.11 -0.04 -0.76 0.23 0.00 0.00 176.35 175.91 1xsc s LEU 34 N -0.64 3.36 0.29 1.79 1.43 -0.14 -1.61 118.68 123.15 1xsc s LEU 34 Ca -0.06 -1.50 -0.29 0.00 -1.03 0.00 0.00 54.13 51.24 1xsc s LEU 34 Cb -0.04 -1.40 -0.10 0.00 0.03 0.00 0.00 46.19 44.67 1xsc s LEU 34 CO -0.00 -0.26 1.44 -1.58 0.23 0.00 0.00 176.35 176.17 1xsc s GLN 35 N 1.19 4.25 0.65 1.70 0.74 -0.04 -1.64 119.66 126.51 1xsc s GLN 35 Ca -0.02 2.35 -0.18 0.00 0.05 0.00 0.00 55.36 57.56 1xsc s GLN 35 Cb -0.19 -3.07 -0.01 0.00 1.10 0.00 0.00 33.01 30.83 1xsc s GLN 35 CO -0.07 -0.41 1.28 0.00 -0.55 0.00 0.00 175.29 175.53 1xsc s ALA 36 N -0.39 2.38 -0.75 1.58 0.00 0.16 -1.55 121.76 123.20 1xsc s ALA 36 Ca 0.57 1.16 0.07 0.00 0.00 0.00 0.00 51.96 53.76 1xsc s ALA 36 Cb -0.43 -3.53 0.40 0.00 0.00 0.00 0.00 23.12 19.56 1xsc s ALA 36 CO 0.49 -1.55 1.13 -1.13 0.00 0.00 0.00 175.76 174.70 1xsc n SER 37 N -1.92 3.23 0.00 0.00 3.41 -0.89 -4.29 113.62 113.16 1xsc n SER 37 Ca 0.15 -2.42 0.00 0.00 -0.26 0.00 0.00 58.87 56.34 1xsc n SER 37 Cb 0.48 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1xsc n SER 37 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1xsc n ASP 38 N 0.33 0.00 0.00 4.04 4.64 -1.26 -4.94 116.55 119.36 1xsc n ASP 38 Ca 0.14 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.55 1xsc n ASP 38 Cb 0.69 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.77 1xsc n ASP 38 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1xsc n GLY 39 N 0.00 3.18 1.27 0.27 0.00 -1.26 -2.41 105.19 106.24 1xsc n GLY 39 Ca 0.00 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 45.94 1xsc n GLY 39 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xsc n ILE 40 N 0.00 0.93 -1.69 -0.61 -5.35 -1.26 -4.92 119.36 106.45 1xsc n ILE 40 Ca 0.00 -0.97 -0.16 0.00 -0.27 0.00 0.00 62.75 61.35 1xsc n ILE 40 Cb 0.00 0.57 -0.05 0.00 -1.74 0.00 0.00 39.64 38.42 1xsc n ILE 40 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1xsc n HIS 41 N 1.54 -0.21 -0.98 4.28 8.25 -1.01 -4.97 115.22 122.13 1xsc n HIS 41 Ca 0.23 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.39 1xsc n HIS 41 Cb 0.61 -2.92 0.15 0.00 1.12 0.00 0.00 29.99 28.95 1xsc n HIS 41 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1xsc s HIS 42 N -2.65 2.03 -0.01 4.41 -0.00 -1.26 -4.54 115.29 113.27 1xsc s HIS 42 Ca 0.00 1.45 0.04 0.00 -0.00 0.00 0.00 55.06 56.56 1xsc s HIS 42 Cb 0.00 -3.18 -0.03 0.00 -0.00 0.00 0.00 32.58 29.37 1xsc s HIS 42 CO 0.00 -2.61 -0.12 -1.58 -0.00 0.00 0.00 174.74 170.43 1xsc s TRP 43 N -2.78 2.75 -0.26 0.38 0.52 -1.23 0.38 118.94 118.71 1xsc s TRP 43 Ca 0.65 -0.12 -0.22 0.00 0.02 0.00 0.00 56.10 56.42 1xsc s TRP 43 Cb -0.20 -1.59 0.07 0.00 -1.15 0.00 0.00 33.47 30.60 1xsc s TRP 43 CO 0.58 0.28 0.68 0.95 0.02 0.00 0.00 176.95 179.46 1xsc s THR 44 N -0.89 -0.00 1.21 2.01 -4.23 -0.65 -4.15 115.64 108.94 1xsc s THR 44 Ca 0.14 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.51 1xsc s THR 44 Cb -0.11 -0.94 0.29 0.00 1.34 0.00 0.00 72.50 73.08 1xsc s THR 44 CO 0.04 0.00 0.88 -0.81 -0.54 0.00 0.00 174.62 174.20 1xsc n PRO 45 N 2.95 -2.68 -1.55 3.99 -0.04 -1.26 -0.97 135.00 135.44 1xsc n PRO 45 Ca -0.15 -0.76 -0.36 0.00 -0.04 0.00 0.00 63.50 62.19 1xsc n PRO 45 Cb 0.56 -2.08 -0.04 0.00 -0.04 0.00 0.00 33.50 31.89 1xsc n PRO 45 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1xsc n PRO 46 N -4.75 0.97 -3.59 0.54 -0.02 -1.26 -4.73 135.00 122.16 1xsc n PRO 46 Ca 0.02 -0.03 -0.32 0.00 -2.02 0.00 0.00 63.50 61.15 1xsc n PRO 46 Cb 0.55 -3.35 -0.05 0.00 -0.02 0.00 0.00 33.50 30.63 1xsc n PRO 46 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1xsc s LYS 47 N 8.35 3.69 0.41 -0.52 1.02 -1.26 -2.65 119.74 128.78 1xsc s LYS 47 Ca 1.00 0.05 0.04 0.00 0.02 0.00 0.00 55.97 57.09 1xsc s LYS 47 Cb -0.23 -2.83 -0.02 0.00 -0.52 0.00 0.00 37.83 34.22 1xsc s LYS 47 CO 0.27 0.45 0.15 0.20 -0.92 0.00 0.00 175.35 175.50 1xsc s GLY 48 N -2.27 2.63 -0.50 -3.33 0.00 0.11 -4.83 107.32 99.12 1xsc s GLY 48 Ca 0.41 -1.28 0.04 0.00 0.00 0.00 0.00 44.72 43.89 1xsc s GLY 48 CO 0.22 -1.80 0.24 0.30 0.00 0.00 0.00 173.10 172.07 1xsc s HIS 49 N -3.22 3.07 0.15 1.90 0.09 -1.26 -1.74 115.29 114.28 1xsc s HIS 49 Ca 0.25 -3.07 -0.30 0.00 -0.00 0.00 0.00 55.06 51.93 1xsc s HIS 49 Cb 0.02 -2.71 -0.08 0.00 -0.00 0.00 0.00 32.58 29.81 1xsc s HIS 49 CO 0.16 -0.76 1.27 0.54 -0.00 0.00 0.00 174.74 175.95 1xsc s VAL 50 N -0.14 3.48 0.15 -0.90 0.11 -1.08 -4.92 120.40 117.10 1xsc s VAL 50 Ca 0.17 1.17 -0.02 0.00 -2.93 0.00 0.00 61.98 60.36 1xsc s VAL 50 Cb -0.25 -3.74 -0.05 0.00 -1.53 0.00 0.00 36.38 30.80 1xsc s VAL 50 CO -0.01 0.15 0.35 -0.70 -3.33 0.00 0.00 175.10 171.56 1xsc s GLU 51 N 0.29 3.55 0.54 1.54 2.12 -1.26 -4.48 118.70 120.99 1xsc s GLU 51 Ca 0.57 -0.25 0.36 0.00 0.36 0.00 0.00 54.97 56.02 1xsc s GLU 51 Cb -0.34 -2.88 1.54 0.00 0.26 0.00 0.00 34.13 32.71 1xsc s GLU 51 CO 0.35 0.47 1.79 -1.00 -0.54 0.00 0.00 175.26 176.33 1xsc h PRO 52 N 2.55 0.02 -0.00 4.30 0.13 -1.98 0.71 132.00 137.73 1xsc h PRO 52 Ca -0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xsc h PRO 52 Cb 1.17 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1xsc h PRO 52 CO 0.71 0.01 -0.81 0.41 -0.23 0.00 0.00 178.00 178.09 1xsc n GLY 53 N -1.76 -1.03 3.92 1.56 0.00 -1.26 -4.95 105.19 101.67 1xsc n GLY 53 Ca 0.26 -0.52 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 1xsc n GLY 53 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsc s GLU 54 N -2.97 3.27 0.67 1.61 2.12 0.25 -5.08 118.70 118.57 1xsc s GLU 54 Ca 0.10 0.05 -0.11 0.00 0.36 0.00 0.00 54.97 55.36 1xsc s GLU 54 Cb 0.17 -2.36 -0.01 0.00 0.26 0.00 0.00 34.13 32.19 1xsc s GLU 54 CO 0.80 -0.38 1.06 0.34 -0.54 0.00 0.00 175.26 176.53 1xsc s ASP 55 N -4.19 5.73 -0.03 -1.70 3.68 -1.26 -4.63 116.67 114.27 1xsc s ASP 55 Ca 0.50 1.39 -0.06 0.00 2.13 0.00 0.00 52.55 56.51 1xsc s ASP 55 Cb -0.10 -2.33 -0.03 0.00 -1.45 0.00 0.00 42.92 39.01 1xsc s ASP 55 CO 0.44 -1.19 0.37 0.44 0.13 0.00 0.00 175.17 175.37 1xsc h ASP 56 N -0.54 -0.18 -0.90 -0.34 3.32 -1.98 -3.10 116.42 112.70 1xsc h ASP 56 Ca -0.44 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.60 1xsc h ASP 56 Cb 1.21 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.77 1xsc h ASP 56 CO 0.61 0.06 0.50 0.25 -1.72 0.00 0.00 179.24 178.94 1xsc h LEU 57 N -0.59 1.12 -0.45 1.55 5.85 -1.96 -2.81 115.31 118.02 1xsc h LEU 57 Ca -0.02 -0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.69 1xsc h LEU 57 Cb 0.16 -0.29 -0.09 0.00 0.37 0.00 0.00 40.66 40.82 1xsc h LEU 57 CO 0.04 0.90 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.58 1xsc h GLU 58 N 1.26 -0.01 -0.96 1.25 5.08 -1.98 1.02 114.58 120.24 1xsc h GLU 58 Ca 0.32 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.79 1xsc h GLU 58 Cb 0.02 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.19 1xsc h GLU 58 CO -0.05 -0.00 0.62 1.15 -1.00 0.00 0.00 179.01 179.72 1xsc h THR 59 N -0.01 0.95 -0.18 1.13 2.02 -1.42 1.07 112.91 116.48 1xsc h THR 59 Ca 0.22 -0.33 -0.20 0.00 0.77 0.00 0.00 66.41 66.86 1xsc h THR 59 Cb 0.33 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1xsc h THR 59 CO -0.47 0.18 -0.70 0.00 0.37 0.00 0.00 175.52 174.90 1xsc h ALA 60 N 1.54 0.42 0.23 6.16 0.00 -0.70 -0.72 119.26 126.19 1xsc h ALA 60 Ca 0.46 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1xsc h ALA 60 Cb 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1xsc h ALA 60 CO -0.22 0.70 -0.11 -0.07 0.00 0.00 0.00 179.25 179.54 1xsc h LEU 61 N 0.52 -0.26 -0.60 0.00 3.38 0.28 -1.07 115.31 117.56 1xsc h LEU 61 Ca -0.03 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1xsc h LEU 61 Cb 1.31 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.10 1xsc h LEU 61 CO 0.14 0.00 0.37 0.03 0.09 0.00 0.00 178.44 179.07 1xsc h ARG 62 N -0.53 0.81 -0.41 1.13 2.47 0.10 -1.55 114.38 116.40 1xsc h ARG 62 Ca -0.03 -0.07 0.02 0.00 -1.26 0.00 0.00 59.98 58.64 1xsc h ARG 62 Cb 0.40 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.52 1xsc h ARG 62 CO 0.05 0.57 0.27 0.00 0.56 0.00 0.00 179.97 181.43 1xsc h ALA 63 N 1.19 1.77 0.10 0.04 0.00 -1.06 0.86 119.26 122.16 1xsc h ALA 63 Ca 0.22 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1xsc h ALA 63 Cb -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1xsc h ALA 63 CO -0.04 0.19 -0.05 1.15 0.00 0.00 0.00 179.25 180.50 1xsc h THR 64 N 0.49 0.92 0.00 0.00 2.02 -0.17 0.51 112.91 116.68 1xsc h THR 64 Ca 0.16 -0.06 -0.10 0.00 0.77 0.00 0.00 66.41 67.18 1xsc h THR 64 Cb 0.03 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1xsc h THR 64 CO -0.04 0.01 -0.45 0.06 0.37 0.00 0.00 175.52 175.47 1xsc h GLN 65 N -0.16 0.00 0.01 6.66 3.07 0.25 1.00 115.11 125.93 1xsc h GLN 65 Ca -0.01 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.52 1xsc h GLN 65 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.68 1xsc h GLN 65 CO 0.02 0.45 -0.90 0.93 0.09 0.00 0.00 178.83 179.42 1xsc h GLU 66 N 0.00 0.18 -0.01 0.06 4.39 0.10 0.17 114.58 119.47 1xsc h GLU 66 Ca -0.00 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1xsc h GLU 66 Cb 1.24 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 1xsc h GLU 66 CO 0.06 0.97 -0.00 0.39 -1.16 0.00 0.00 179.01 179.26 1xsc n GLU 67 N -3.63 -0.06 0.00 2.33 1.02 0.18 -4.35 120.64 116.12 1xsc n GLU 67 Ca -0.04 -0.85 0.00 0.00 -0.02 0.00 0.00 57.16 56.26 1xsc n GLU 67 Cb 0.83 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 31.14 1xsc n GLU 67 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xsc n ALA 68 N 0.32 0.00 -0.74 0.62 0.00 0.34 -3.72 120.51 117.33 1xsc n ALA 68 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1xsc n ALA 68 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 1xsc n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xsc n GLY 69 N 0.00 0.89 3.60 0.00 0.00 0.58 0.23 105.19 110.50 1xsc n GLY 69 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1xsc n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xsc s ILE 70 N -3.03 4.86 0.40 -0.61 1.01 -1.17 -4.72 121.20 117.96 1xsc s ILE 70 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 60.65 60.73 1xsc s ILE 70 Cb 0.00 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 1xsc s ILE 70 CO 0.00 0.39 0.28 -1.83 0.00 0.00 0.00 174.94 173.78 1xsc s GLU 71 N 0.88 2.41 0.39 2.79 -1.05 -1.26 0.01 118.70 122.86 1xsc s GLU 71 Ca 0.05 -1.65 0.17 0.00 -0.15 0.00 0.00 54.97 53.39 1xsc s GLU 71 Cb -0.13 -2.21 1.05 0.00 -0.44 0.00 0.00 34.13 32.40 1xsc s GLU 71 CO 0.03 -0.13 1.78 0.00 0.95 0.00 0.00 175.26 177.89 1xsc h ALA 72 N 1.23 2.15 0.00 -0.84 0.00 -1.88 0.94 119.26 120.85 1xsc h ALA 72 Ca -0.42 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1xsc h ALA 72 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xsc h ALA 72 CO 0.63 -0.54 0.00 0.78 0.00 0.00 0.00 179.25 180.12 1xsc h GLY 73 N 0.44 0.00 0.00 0.00 0.00 -1.99 -2.38 103.07 99.15 1xsc h GLY 73 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.91 1xsc h GLY 73 CO -0.30 0.00 -1.11 -0.18 0.00 0.00 0.00 176.54 174.95 1xsc n GLN 74 N -2.39 0.54 -2.39 4.80 -0.06 0.32 -5.00 117.38 113.19 1xsc n GLN 74 Ca 0.01 -0.03 -0.04 0.00 -2.00 0.00 0.00 57.00 54.94 1xsc n GLN 74 Cb 0.21 -1.44 -0.01 0.00 -4.06 0.00 0.00 30.24 24.95 1xsc n GLN 74 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 1xsc n LEU 75 N -1.60 0.00 -3.72 1.69 -0.00 -0.71 -1.65 117.00 111.02 1xsc n LEU 75 Ca 0.02 -0.50 -0.30 0.00 -0.00 0.00 0.00 56.01 55.24 1xsc n LEU 75 Cb 0.35 0.13 -0.15 0.00 -0.00 0.00 0.00 43.42 43.75 1xsc n LEU 75 CO 0.40 -0.07 -0.33 -0.89 -0.00 0.00 0.00 177.39 176.50 1xsc s THR 76 N -1.62 0.80 -0.11 1.47 2.01 0.18 -4.81 115.64 113.57 1xsc s THR 76 Ca 0.02 -1.37 -0.29 0.00 0.31 0.00 0.00 61.69 60.36 1xsc s THR 76 Cb 0.00 -1.62 -0.03 0.00 0.01 0.00 0.00 72.50 70.86 1xsc s THR 76 CO 0.02 -0.69 1.43 -0.63 -0.69 0.00 0.00 174.62 174.05 1xsc s ILE 77 N 1.63 3.96 0.15 1.82 -1.09 -1.26 -1.48 121.20 124.93 1xsc s ILE 77 Ca 0.10 1.18 -0.29 0.00 -2.23 0.00 0.00 60.65 59.41 1xsc s ILE 77 Cb -0.17 -3.76 -0.07 0.00 -1.58 0.00 0.00 42.46 36.88 1xsc s ILE 77 CO -0.26 -0.09 0.93 -0.63 -1.23 0.00 0.00 174.94 173.66 1xsc s ILE 78 N 3.60 4.39 0.17 2.92 1.09 0.35 -4.98 121.20 128.74 1xsc s ILE 78 Ca 0.63 2.02 -0.05 0.00 -1.10 0.00 0.00 60.65 62.14 1xsc s ILE 78 Cb -0.27 -4.30 -0.06 0.00 -1.06 0.00 0.00 42.46 36.78 1xsc s ILE 78 CO 0.22 0.39 0.41 -1.61 -0.10 0.00 0.00 174.94 174.24 1xsc s GLU 79 N -0.42 3.63 0.00 2.79 2.02 -1.26 -4.30 118.70 121.16 1xsc s GLU 79 Ca 0.44 -0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.37 1xsc s GLU 79 Cb -0.24 -2.81 0.00 0.00 0.10 0.00 0.00 34.13 31.18 1xsc s GLU 79 CO 0.30 0.43 0.00 0.41 0.02 0.00 0.00 175.26 176.41 1xsc n GLY 80 N -0.06 2.96 3.46 -1.39 0.00 -1.26 -5.05 105.19 103.85 1xsc n GLY 80 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1xsc n GLY 80 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xsc s PHE 81 N -2.83 3.00 -0.25 1.61 2.19 -1.26 -5.09 117.98 115.35 1xsc s PHE 81 Ca 0.00 -0.42 -0.15 0.00 0.33 0.00 0.00 56.93 56.69 1xsc s PHE 81 Cb 0.00 -1.98 0.07 0.00 -1.31 0.00 0.00 43.02 39.80 1xsc s PHE 81 CO 0.00 -0.14 0.62 0.21 1.83 0.00 0.00 175.22 177.74 1xsc s LYS 82 N 0.58 0.64 -0.17 10.12 2.20 -1.26 -4.68 119.74 127.17 1xsc s LYS 82 Ca -0.03 1.09 -0.17 0.00 -0.36 0.00 0.00 55.97 56.50 1xsc s LYS 82 Cb -0.14 0.12 0.05 0.00 -1.51 0.00 0.00 37.83 36.34 1xsc s LYS 82 CO 0.03 -0.15 0.49 1.03 -0.36 0.00 0.00 175.35 176.39 1xsc s ARG 83 N 1.46 0.59 -0.15 4.03 1.81 -1.22 -5.00 118.95 120.47 1xsc s ARG 83 Ca -0.09 0.63 0.02 0.00 -1.72 0.00 0.00 55.73 54.57 1xsc s ARG 83 Cb -0.06 0.28 0.01 0.00 -0.45 0.00 0.00 34.95 34.74 1xsc s ARG 83 CO -0.16 -0.08 -0.21 -1.83 -0.68 0.00 0.00 175.30 172.34 1xsc s GLU 84 N 0.15 3.04 -0.18 3.54 1.03 -1.25 0.55 118.70 125.58 1xsc s GLU 84 Ca -0.01 -0.84 -0.19 0.00 0.03 0.00 0.00 54.97 53.97 1xsc s GLU 84 Cb -0.03 -2.49 -0.03 0.00 -0.80 0.00 0.00 34.13 30.78 1xsc s GLU 84 CO 0.01 -0.04 0.53 -0.51 -1.33 0.00 0.00 175.26 173.92 1xsc s LEU 85 N 0.90 4.18 -0.18 1.83 1.43 0.33 -4.73 118.68 122.43 1xsc s LEU 85 Ca -0.05 0.74 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 1xsc s LEU 85 Cb -0.15 -2.75 0.01 0.00 0.03 0.00 0.00 46.19 43.33 1xsc s LEU 85 CO -0.03 -0.16 -0.17 0.20 0.23 0.00 0.00 176.35 176.42 1xsc s ASN 86 N 1.05 3.41 -0.24 2.29 0.01 -1.25 0.79 114.94 121.00 1xsc s ASN 86 Ca 0.26 -0.57 -0.26 0.00 -0.71 0.00 0.00 52.86 51.57 1xsc s ASN 86 Cb -0.15 -1.53 0.12 0.00 0.41 0.00 0.00 41.25 40.09 1xsc s ASN 86 CO 0.10 0.02 0.98 -0.72 -1.51 0.00 0.00 177.10 175.97 1xsc s TYR 87 N 1.20 -0.49 -0.38 2.20 -0.85 -1.21 -4.93 117.35 112.88 1xsc s TYR 87 Ca 0.02 1.11 -0.29 0.00 -0.52 0.00 0.00 57.07 57.39 1xsc s TYR 87 Cb -0.14 0.38 0.01 0.00 0.38 0.00 0.00 41.96 42.59 1xsc s TYR 87 CO -0.08 -0.28 1.24 0.54 -1.52 0.00 0.00 175.55 175.44 1xsc s VAL 88 N -0.12 4.17 0.00 -3.49 0.11 -1.26 -1.40 120.40 118.41 1xsc s VAL 88 Ca 0.01 1.26 0.00 0.00 -2.93 0.00 0.00 61.98 60.32 1xsc s VAL 88 Cb -0.04 -4.35 0.00 0.00 -1.53 0.00 0.00 36.38 30.46 1xsc s VAL 88 CO -0.03 -0.71 0.00 0.00 -3.33 0.00 0.00 175.10 171.03 1xsc n ALA 89 N 7.85 0.00 -0.19 1.54 0.00 -1.07 -4.74 120.51 123.90 1xsc n ALA 89 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.50 1xsc n ALA 89 Cb 0.48 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.95 1xsc n ALA 89 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1xsc h ARG 90 N 0.00 0.81 0.00 0.00 0.11 -2.03 -3.42 114.38 109.85 1xsc h ARG 90 Ca 0.00 -0.15 0.00 0.00 0.10 0.00 0.00 59.98 59.93 1xsc h ARG 90 Cb 0.00 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 30.95 1xsc h ARG 90 CO 0.00 0.72 0.00 0.09 0.10 0.00 0.00 179.97 180.88 1xsc n ASN 91 N -4.51 0.00 -3.64 0.08 4.13 -1.26 -5.14 115.26 104.92 1xsc n ASN 91 Ca 0.02 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.23 1xsc n ASN 91 Cb 0.17 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.34 1xsc n ASN 91 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1xsc s LYS 92 N 0.00 0.58 -0.07 3.52 2.47 -1.26 -5.09 119.74 119.89 1xsc s LYS 92 Ca 0.00 1.03 -0.30 0.00 -1.56 0.00 0.00 55.97 55.14 1xsc s LYS 92 Cb 0.00 0.14 -0.05 0.00 -1.46 0.00 0.00 37.83 36.46 1xsc s LYS 92 CO 0.00 -0.13 1.67 -1.25 0.16 0.00 0.00 175.35 175.81 1xsc s PRO 93 N 1.59 4.13 -0.26 4.03 0.04 -1.26 -2.60 135.00 140.67 1xsc s PRO 93 Ca -0.09 2.16 -0.09 0.00 0.04 0.00 0.00 61.00 63.02 1xsc s PRO 93 Cb -0.05 -4.00 -0.04 0.00 0.04 0.00 0.00 34.50 30.45 1xsc s PRO 93 CO -0.18 -0.91 0.12 0.15 0.04 0.00 0.00 177.00 176.22 1xsc s LYS 94 N 4.14 3.80 -0.54 4.56 -0.14 -0.49 0.78 119.74 131.85 1xsc s LYS 94 Ca 0.74 -0.40 -0.25 0.00 -1.36 0.00 0.00 55.97 54.70 1xsc s LYS 94 Cb -0.33 -3.45 0.04 0.00 -1.68 0.00 0.00 37.83 32.41 1xsc s LYS 94 CO 0.30 -0.15 0.96 0.99 -0.76 0.00 0.00 175.35 176.69 1xsc s THR 95 N 1.58 4.37 -0.39 2.17 2.01 0.93 -3.36 115.64 122.95 1xsc s THR 95 Ca 0.06 0.40 -0.10 0.00 0.31 0.00 0.00 61.69 62.36 1xsc s THR 95 Cb -0.15 -4.54 0.04 0.00 0.01 0.00 0.00 72.50 67.86 1xsc s THR 95 CO 0.06 -1.09 0.22 -0.69 -0.69 0.00 0.00 174.62 172.43 1xsc s VAL 96 N 4.01 4.47 -0.08 3.82 1.01 0.24 0.63 120.40 134.49 1xsc s VAL 96 Ca 0.32 -1.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.04 1xsc s VAL 96 Cb -0.12 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1xsc s VAL 96 CO 0.21 -0.32 0.71 -0.63 0.00 0.00 0.00 175.10 175.07 1xsc s ILE 97 N 1.52 5.03 0.25 2.22 -1.09 -0.90 0.12 121.20 128.35 1xsc s ILE 97 Ca 0.02 1.45 0.11 0.00 -2.23 0.00 0.00 60.65 60.00 1xsc s ILE 97 Cb -0.20 -4.05 -0.05 0.00 -1.58 0.00 0.00 42.46 36.58 1xsc s ILE 97 CO 0.05 0.22 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.53 1xsc s TYR 98 N 0.99 2.43 0.01 3.97 2.02 0.19 0.49 117.35 127.45 1xsc s TYR 98 Ca 0.37 -0.29 -0.06 0.00 -0.37 0.00 0.00 57.07 56.72 1xsc s TYR 98 Cb -0.18 -1.10 -0.00 0.00 -0.40 0.00 0.00 41.96 40.28 1xsc s TYR 98 CO 0.17 0.63 0.10 -1.58 -1.57 0.00 0.00 175.55 173.31 1xsc s TRP 99 N -2.23 0.10 -0.22 2.71 0.51 -1.24 -3.42 118.94 115.16 1xsc s TRP 99 Ca 0.28 -0.26 -0.23 0.00 -2.12 0.00 0.00 56.10 53.77 1xsc s TRP 99 Cb -0.06 -0.09 -0.01 0.00 -0.81 0.00 0.00 33.47 32.50 1xsc s TRP 99 CO 0.15 -0.28 0.77 -0.51 -0.51 0.00 0.00 176.95 176.57 1xsc s LEU 100 N -1.50 4.11 0.05 2.99 1.43 -1.25 0.75 118.68 125.26 1xsc s LEU 100 Ca -0.14 0.98 0.05 0.00 -1.03 0.00 0.00 54.13 54.00 1xsc s LEU 100 Cb -0.07 -3.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.02 1xsc s LEU 100 CO 0.00 -0.43 -0.15 0.00 0.23 0.00 0.00 176.35 176.01 1xsc s ALA 101 N 2.49 1.22 -0.20 4.21 0.00 0.63 0.13 121.76 130.25 1xsc s ALA 101 Ca 0.33 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1xsc s ALA 101 Cb -0.16 -0.16 0.04 0.00 0.00 0.00 0.00 23.12 22.83 1xsc s ALA 101 CO 0.09 0.22 -0.14 -2.00 0.00 0.00 0.00 175.76 173.92 1xsc s GLU 102 N -1.36 2.45 -0.27 0.00 2.12 -0.55 0.27 118.70 121.37 1xsc s GLU 102 Ca 0.01 -0.92 -0.29 0.00 0.36 0.00 0.00 54.97 54.13 1xsc s GLU 102 Cb -0.09 -2.54 -0.00 0.00 0.26 0.00 0.00 34.13 31.76 1xsc s GLU 102 CO 0.02 -0.36 1.28 0.14 -0.54 0.00 0.00 175.26 175.79 1xsc s VAL 103 N 1.30 4.20 0.60 3.70 -7.23 -1.25 0.47 120.40 122.19 1xsc s VAL 103 Ca 0.00 1.38 0.30 0.00 -1.81 0.00 0.00 61.98 61.86 1xsc s VAL 103 Cb -0.15 -4.14 0.36 0.00 0.56 0.00 0.00 36.38 33.01 1xsc s VAL 103 CO -0.10 -0.40 2.23 0.07 -0.31 0.00 0.00 175.10 176.60 1xsc h LYS 104 N 8.96 0.00 -4.68 4.82 2.10 -1.63 -3.39 116.57 122.74 1xsc h LYS 104 Ca -0.26 0.00 -0.69 0.00 -2.00 0.00 0.00 60.65 57.70 1xsc h LYS 104 Cb 1.10 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 32.23 1xsc h LYS 104 CO 1.02 0.00 -0.41 -0.51 -2.00 0.00 0.00 179.45 177.55 1xsc s ASP 105 N -6.02 6.11 0.18 7.07 1.11 -1.26 -4.95 116.67 118.90 1xsc s ASP 105 Ca -0.05 -0.61 -0.13 0.00 0.18 0.00 0.00 52.55 51.94 1xsc s ASP 105 Cb 0.15 -2.16 0.13 0.00 1.07 0.00 0.00 42.92 42.11 1xsc s ASP 105 CO 0.54 -0.37 1.79 0.22 1.18 0.00 0.00 175.17 178.53 1xsc h TYR 106 N 8.56 0.49 -0.69 4.23 3.20 -1.99 -0.19 116.97 130.59 1xsc h TYR 106 Ca -0.29 0.02 -0.23 0.00 3.14 0.00 0.00 58.73 61.37 1xsc h TYR 106 Cb 1.14 -0.15 -0.14 0.00 1.54 0.00 0.00 36.73 39.12 1xsc h TYR 106 CO 0.62 0.25 0.30 -3.47 -1.64 0.00 0.00 178.16 174.21 1xsc n ASP 107 N -4.87 4.36 -4.41 -2.11 2.03 -1.26 -5.00 116.55 105.30 1xsc n ASP 107 Ca 0.04 -3.11 -0.42 0.00 0.52 0.00 0.00 54.79 51.82 1xsc n ASP 107 Cb 0.13 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 39.79 1xsc n ASP 107 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1xsc n VAL 108 N -0.22 1.46 -2.09 5.18 3.14 -0.08 -4.86 118.33 120.87 1xsc n VAL 108 Ca 0.38 -0.50 -0.40 0.00 -2.96 0.00 0.00 64.34 60.87 1xsc n VAL 108 Cb 1.31 -0.34 -0.01 0.00 -1.06 0.00 0.00 33.84 33.74 1xsc n VAL 108 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1xsc s GLU 109 N -1.35 4.07 -0.37 1.45 1.03 -1.26 -5.00 118.70 117.27 1xsc s GLU 109 Ca 0.62 2.15 0.03 0.00 0.03 0.00 0.00 54.97 57.80 1xsc s GLU 109 Cb -0.65 -2.83 0.11 0.00 -0.80 0.00 0.00 34.13 29.96 1xsc s GLU 109 CO 0.59 -0.40 0.09 0.42 -1.33 0.00 0.00 175.26 174.63 1xsc s ILE 110 N -1.24 2.13 -0.51 1.83 -1.09 -1.25 -4.34 121.20 116.74 1xsc s ILE 110 Ca 0.55 -2.39 -0.15 0.00 -2.23 0.00 0.00 60.65 56.43 1xsc s ILE 110 Cb -0.38 -2.56 0.11 0.00 -1.58 0.00 0.00 42.46 38.05 1xsc s ILE 110 CO 0.49 -0.65 0.44 -0.13 -1.23 0.00 0.00 174.94 173.86 1xsc s ARG 111 N 0.79 2.91 0.71 2.79 0.52 0.14 -4.86 118.95 121.94 1xsc s ARG 111 Ca 0.12 -1.60 -0.05 0.00 -0.52 0.00 0.00 55.73 53.69 1xsc s ARG 111 Cb -0.20 -4.18 0.09 0.00 0.52 0.00 0.00 34.95 31.18 1xsc s ARG 111 CO -0.09 -1.20 1.01 -0.51 0.02 0.00 0.00 175.30 174.53 1xsc s LEU 112 N 1.58 2.93 0.00 2.53 1.43 -1.24 0.09 118.68 125.99 1xsc s LEU 112 Ca 0.04 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1xsc s LEU 112 Cb -0.27 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 43.29 1xsc s LEU 112 CO 0.04 -1.74 0.00 -1.20 0.23 0.00 0.00 176.35 173.68 1xsc n SER 113 N -2.90 1.77 0.12 2.29 7.64 -1.25 -4.87 113.62 116.41 1xsc n SER 113 Ca 0.11 -0.71 0.11 0.00 1.01 0.00 0.00 58.87 59.39 1xsc n SER 113 Cb 0.60 0.00 0.47 0.00 -1.01 0.00 0.00 64.21 64.27 1xsc n SER 113 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1xsc n HIS 114 N 0.00 0.70 0.32 1.43 8.25 -1.26 -2.02 115.22 122.64 1xsc n HIS 114 Ca 0.00 0.28 0.12 0.00 -0.26 0.00 0.00 57.72 57.86 1xsc n HIS 114 Cb 0.00 -0.96 0.12 0.00 1.12 0.00 0.00 29.99 30.27 1xsc n HIS 114 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1xsc h GLU 115 N 0.00 0.00 -4.41 -0.41 3.07 -1.95 -3.43 114.58 107.45 1xsc h GLU 115 Ca 0.00 0.00 -0.49 0.00 -0.50 0.00 0.00 59.36 58.37 1xsc h GLU 115 Cb 0.31 0.00 -0.34 0.00 -0.84 0.00 0.00 28.75 27.88 1xsc h GLU 115 CO 0.00 0.00 -0.80 -1.01 -1.40 0.00 0.00 179.01 175.80 1xsc s HIS 116 N -3.25 1.28 -0.12 4.33 3.76 -0.86 -2.11 115.29 118.33 1xsc s HIS 116 Ca 0.04 -0.46 0.21 0.00 -0.15 0.00 0.00 55.06 54.70 1xsc s HIS 116 Cb 0.10 -0.97 -0.20 0.00 1.11 0.00 0.00 32.58 32.62 1xsc s HIS 116 CO 0.73 -0.26 0.66 0.00 -0.85 0.00 0.00 174.74 175.02 1xsc n GLN 117 N 3.90 0.64 -3.24 1.40 10.64 -0.59 -3.94 117.38 126.19 1xsc n GLN 117 Ca -0.23 -0.04 -0.08 0.00 -1.83 0.00 0.00 57.00 54.81 1xsc n GLN 117 Cb 0.51 -1.65 0.01 0.00 -0.86 0.00 0.00 30.24 28.26 1xsc n GLN 117 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1xsc n ALA 118 N -2.28 -1.07 -3.54 2.61 0.00 -1.24 -5.02 120.51 109.98 1xsc n ALA 118 Ca -0.05 -1.07 -0.08 0.00 0.00 0.00 0.00 53.44 52.24 1xsc n ALA 118 Cb 0.63 0.85 -0.03 0.00 0.00 0.00 0.00 19.45 20.90 1xsc n ALA 118 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1xsc s TYR 119 N -3.61 0.02 0.03 0.00 1.13 -1.26 -0.86 117.35 112.81 1xsc s TYR 119 Ca 0.15 -0.42 -0.28 0.00 -1.41 0.00 0.00 57.07 55.12 1xsc s TYR 119 Cb -0.03 0.48 0.07 0.00 -1.10 0.00 0.00 41.96 41.38 1xsc s TYR 119 CO 0.11 -1.10 0.68 1.03 -2.51 0.00 0.00 175.55 173.75 1xsc s ARG 120 N -3.95 1.11 -0.35 -3.49 0.52 -0.63 -4.94 118.95 107.22 1xsc s ARG 120 Ca 0.15 -0.08 -0.05 0.00 -0.52 0.00 0.00 55.73 55.23 1xsc s ARG 120 Cb -0.03 0.52 0.06 0.00 0.52 0.00 0.00 34.95 36.02 1xsc s ARG 120 CO 0.06 -0.42 0.12 -1.58 0.02 0.00 0.00 175.30 173.50 1xsc s TRP 121 N -2.34 3.33 0.24 -0.53 0.52 -1.26 -1.97 118.94 116.92 1xsc s TRP 121 Ca -0.05 -1.73 0.02 0.00 0.02 0.00 0.00 56.10 54.36 1xsc s TRP 121 Cb -0.00 -2.50 -0.05 0.00 -1.15 0.00 0.00 33.47 29.76 1xsc s TRP 121 CO -0.01 -0.81 0.07 -0.51 0.02 0.00 0.00 176.95 175.71 1xsc s LEU 122 N 1.32 1.80 0.00 2.99 1.02 -1.00 -4.86 118.68 119.96 1xsc s LEU 122 Ca -0.00 -1.32 0.00 0.00 0.02 0.00 0.00 54.13 52.83 1xsc s LEU 122 Cb -0.21 -0.03 0.00 0.00 0.02 0.00 0.00 46.19 45.98 1xsc s LEU 122 CO 0.00 -0.67 0.00 0.61 0.02 0.00 0.00 176.35 176.31 1xsc n GLY 123 N -0.41 0.15 0.12 -3.19 0.00 -1.26 0.12 105.19 100.71 1xsc n GLY 123 Ca -0.02 -1.48 -0.17 0.00 0.00 0.00 0.00 46.02 44.35 1xsc n GLY 123 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xsc h LEU 124 N 0.00 0.38 -0.19 0.99 5.85 -1.93 -1.44 115.31 118.96 1xsc h LEU 124 Ca 0.00 -0.83 0.02 0.00 0.84 0.00 0.00 57.88 57.91 1xsc h LEU 124 Cb 0.00 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1xsc h LEU 124 CO 0.00 1.16 0.05 1.05 -0.34 0.00 0.00 178.44 180.36 1xsc h GLU 125 N -0.36 0.12 -0.02 1.25 4.11 -1.97 0.19 114.58 117.90 1xsc h GLU 125 Ca -0.07 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.33 1xsc h GLU 125 Cb 1.27 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1xsc h GLU 125 CO 0.10 0.08 -0.07 0.93 0.07 0.00 0.00 179.01 180.12 1xsc h GLU 126 N 0.13 0.09 -0.69 1.06 3.07 -1.92 0.20 114.58 116.51 1xsc h GLU 126 Ca 0.09 -0.06 0.20 0.00 -0.50 0.00 0.00 59.36 59.08 1xsc h GLU 126 Cb 0.07 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 1xsc h GLU 126 CO -0.11 0.69 0.49 0.00 -1.40 0.00 0.00 179.01 178.68 1xsc h ALA 127 N 0.40 2.64 0.06 3.43 0.00 -1.18 0.40 119.26 125.01 1xsc h ALA 127 Ca -0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.61 1xsc h ALA 127 Cb 0.69 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1xsc h ALA 127 CO 0.01 -0.84 -1.37 0.00 0.00 0.00 0.00 179.25 177.06 1xsc h GLN 129 N 0.03 0.92 0.13 0.00 -0.00 0.29 -3.09 115.11 113.40 1xsc h GLN 129 Ca -0.17 -0.20 -0.26 0.00 -0.00 0.00 0.00 58.65 58.03 1xsc h GLN 129 Cb 1.93 -0.13 0.03 0.00 -0.00 0.00 0.00 27.48 29.31 1xsc h GLN 129 CO 0.14 0.82 -1.09 -0.07 -0.00 0.00 0.00 178.83 178.64 1xsc h LEU 130 N 0.84 0.74 -4.76 0.06 3.38 -1.19 -3.33 115.31 111.05 1xsc h LEU 130 Ca 0.19 -0.86 -0.40 0.00 0.09 0.00 0.00 57.88 56.91 1xsc h LEU 130 Cb 0.28 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1xsc h LEU 130 CO -0.01 1.52 1.93 0.00 0.09 0.00 0.00 178.44 181.97 1xsc n ALA 131 N -2.67 6.10 -0.54 1.53 0.00 -0.76 -3.52 120.51 120.64 1xsc n ALA 131 Ca -0.14 -2.37 0.43 0.00 0.00 0.00 0.00 53.44 51.36 1xsc n ALA 131 Cb 0.92 -2.86 0.69 0.00 0.00 0.00 0.00 19.45 18.20 1xsc n ALA 131 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1xsc n GLN 132 N 3.32 -0.02 -1.60 0.00 1.13 -1.24 -3.96 117.38 115.01 1xsc n GLN 132 Ca 0.54 1.08 -0.45 0.00 -1.94 0.00 0.00 57.00 56.23 1xsc n GLN 132 Cb 0.42 -2.30 -0.04 0.00 0.11 0.00 0.00 30.24 28.44 1xsc n GLN 132 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1xsc n PHE 133 N -4.18 2.06 -0.33 1.08 3.01 -1.26 -4.83 117.46 113.02 1xsc n PHE 133 Ca 0.39 -0.09 0.18 0.00 1.01 0.00 0.00 57.45 58.95 1xsc n PHE 133 Cb 1.65 -2.70 0.39 0.00 -0.01 0.00 0.00 39.48 38.81 1xsc n PHE 133 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1xsc h LYS 134 N 12.96 0.39 -0.13 -1.08 3.64 -1.97 0.05 116.57 130.42 1xsc h LYS 134 Ca -0.41 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 58.98 1xsc h LYS 134 Cb 1.26 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.95 1xsc h LYS 134 CO 0.96 0.26 -0.13 0.93 -2.27 0.00 0.00 179.45 179.20 1xsc h GLU 135 N 0.40 -0.15 -0.43 1.90 3.07 -1.89 -2.03 114.58 115.44 1xsc h GLU 135 Ca 0.65 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.50 1xsc h GLU 135 Cb 1.34 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 29.26 1xsc h GLU 135 CO -0.56 -0.10 0.19 0.52 -1.40 0.00 0.00 179.01 177.66 1xsc h MET 136 N -0.16 0.64 -1.01 2.33 2.86 -1.29 -0.55 114.93 117.75 1xsc h MET 136 Ca 0.09 -0.11 0.23 0.00 -2.06 0.00 0.00 59.70 57.85 1xsc h MET 136 Cb 0.29 -0.11 -0.11 0.00 0.06 0.00 0.00 31.60 31.73 1xsc h MET 136 CO -0.23 0.57 0.61 0.87 1.06 0.00 0.00 176.91 179.79 1xsc h LYS 137 N 0.56 0.61 -0.04 1.72 6.56 -0.92 0.13 116.57 125.19 1xsc h LYS 137 Ca 0.15 -0.04 -0.11 0.00 -1.06 0.00 0.00 60.65 59.59 1xsc h LYS 137 Cb 0.16 -0.14 0.01 0.00 -0.57 0.00 0.00 32.23 31.69 1xsc h LYS 137 CO -0.02 0.40 -0.40 0.00 -2.06 0.00 0.00 179.45 177.38 1xsc h ALA 138 N 1.69 0.10 -0.75 3.86 0.00 -0.87 0.59 119.26 123.88 1xsc h ALA 138 Ca 0.61 -0.48 0.14 0.00 0.00 0.00 0.00 54.91 55.17 1xsc h ALA 138 Cb 1.13 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.83 1xsc h ALA 138 CO -0.42 0.23 0.31 0.00 0.00 0.00 0.00 179.25 179.37 1xsc h ALA 139 N 0.37 1.05 0.00 0.00 0.00 0.64 0.51 119.26 121.83 1xsc h ALA 139 Ca -0.04 0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1xsc h ALA 139 Cb 1.08 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1xsc h ALA 139 CO 0.08 -0.19 -0.78 -0.07 0.00 0.00 0.00 179.25 178.29 1xsc h LEU 140 N 0.46 0.00 0.14 0.00 3.38 -0.87 -2.52 115.31 115.89 1xsc h LEU 140 Ca 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 1xsc h LEU 140 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1xsc h LEU 140 CO -0.39 0.78 -0.07 1.56 0.09 0.00 0.00 178.44 180.41 1xsc h GLN 141 N 0.00 -0.18 0.00 1.13 1.08 0.16 -2.80 115.11 114.50 1xsc h GLN 141 Ca -0.01 0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.11 1xsc h GLN 141 Cb 1.55 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 29.01 1xsc h GLN 141 CO 0.10 0.12 -0.44 0.93 -0.95 0.00 0.00 178.83 178.59 1xsc h GLU 142 N -0.49 0.00 0.39 1.46 5.08 -0.22 -1.97 114.58 118.83 1xsc h GLU 142 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1xsc h GLU 142 Cb 0.39 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1xsc h GLU 142 CO 0.03 0.44 -0.37 0.78 -1.00 0.00 0.00 179.01 178.89 1xsc h GLY 143 N 1.32 -0.88 1.72 -3.84 0.00 -1.34 0.51 103.07 100.57 1xsc h GLY 143 Ca -0.00 0.43 -0.10 0.00 0.00 0.00 0.00 47.33 47.66 1xsc h GLY 143 CO 0.06 -0.31 -0.33 0.84 0.00 0.00 0.00 176.54 176.80 1xsc h HIS 144 N -0.78 0.36 0.22 5.60 -0.00 -1.49 -1.30 115.15 117.76 1xsc h HIS 144 Ca -0.03 -0.08 -0.01 0.00 -0.00 0.00 0.00 60.37 60.24 1xsc h HIS 144 Cb 0.69 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 28.02 1xsc h HIS 144 CO -0.20 0.61 -0.11 0.37 -0.00 0.00 0.00 177.93 178.61 1xsc h GLN 145 N 0.28 -0.29 -0.17 5.26 5.75 -0.88 -0.95 115.11 124.11 1xsc h GLN 145 Ca 0.04 0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.54 1xsc h GLN 145 Cb 0.72 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.32 1xsc h GLN 145 CO 0.05 -0.08 0.05 0.35 -2.65 0.00 0.00 178.83 176.55 1xsc h PHE 146 N -0.45 0.28 -0.23 3.99 3.04 0.06 -2.58 116.94 121.06 1xsc h PHE 146 Ca -0.03 -0.03 0.07 0.00 3.98 0.00 0.00 57.97 61.96 1xsc h PHE 146 Cb 0.34 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.76 1xsc h PHE 146 CO -0.02 0.39 0.19 -0.07 -2.02 0.00 0.00 178.31 176.78 1xsc h LEU 147 N 0.09 0.00 0.00 0.59 3.38 -1.22 0.38 115.31 118.53 1xsc h LEU 147 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xsc h LEU 147 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1xsc h LEU 147 CO -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 178.44 178.50 1xsc n SER 149 N -2.16 0.62 0.00 0.00 7.64 0.13 -4.87 113.62 114.98 1xsc n SER 149 Ca 0.06 -0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.64 1xsc n SER 149 Cb 0.42 0.48 0.00 0.00 -1.01 0.00 0.00 64.21 64.10 1xsc n SER 149 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1xsc n ILE 150 N -1.70 0.00 0.00 0.44 5.41 -0.95 -5.10 119.36 117.47 1xsc n ILE 150 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.79 1xsc n ILE 150 Cb 0.37 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.30 1xsc n ILE 150 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1xsc n GLU 151 N 0.00 0.00 0.00 0.38 2.13 -1.26 -5.09 120.64 116.79 1xsc n GLU 151 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1xsc n GLU 151 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1xsc n GLU 151 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xsc n ALA 152 N -2.22 0.00 -0.50 4.31 0.00 -1.26 -5.13 120.51 115.71 1xsc n ALA 152 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xsc n ALA 152 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1xsc n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78