#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsc n PRO 2 N 0.00 2.08 -0.88 1.61 -0.04 -1.26 -4.87 135.00 131.64 1xsc n PRO 2 Ca 0.00 -1.72 0.12 0.00 -0.04 0.00 0.00 63.50 61.86 1xsc n PRO 2 Cb 0.00 -2.68 -0.03 0.00 -0.04 0.00 0.00 33.50 30.75 1xsc n PRO 2 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xsc n LEU 3 N 5.32 0.00 -4.60 1.53 4.32 -1.26 -4.79 117.00 117.52 1xsc n LEU 3 Ca 0.49 0.95 -0.30 0.00 -0.02 0.00 0.00 56.01 57.13 1xsc n LEU 3 Cb 0.24 -2.70 0.20 0.00 -1.62 0.00 0.00 43.42 39.55 1xsc n LEU 3 CO 0.84 -2.21 0.61 -0.83 -1.22 0.00 0.00 177.39 174.58 1xsc s GLY 4 N -6.26 1.63 0.00 -0.72 0.00 -1.26 -5.03 107.32 95.68 1xsc s GLY 4 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 44.72 45.00 1xsc s GLY 4 CO 0.00 0.83 0.00 1.44 0.00 0.00 0.00 173.10 175.37 1xsc n SER 5 N -4.52 0.00 -3.52 1.64 7.64 -1.26 -5.16 113.62 108.44 1xsc n SER 5 Ca 0.08 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.70 1xsc n SER 5 Cb 0.53 0.00 0.23 0.00 -1.01 0.00 0.00 64.21 63.96 1xsc n SER 5 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1xsc n MET 6 N -0.03 -3.63 -0.56 1.43 1.56 -1.26 -4.84 117.12 109.79 1xsc n MET 6 Ca 0.00 -1.07 0.07 0.00 -0.27 0.00 0.00 57.70 56.43 1xsc n MET 6 Cb 0.00 -1.77 -0.03 0.00 2.15 0.00 0.00 33.22 33.57 1xsc n MET 6 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1xsc n ALA 7 N -5.20 -1.47 -2.80 -5.12 0.00 -1.26 -4.88 120.51 99.77 1xsc n ALA 7 Ca 0.09 0.29 -0.35 0.00 0.00 0.00 0.00 53.44 53.47 1xsc n ALA 7 Cb 0.50 -0.57 -0.09 0.00 0.00 0.00 0.00 19.45 19.29 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 -5.81 3.97 -0.19 0.00 1.02 0.23 -4.97 118.68 112.93 1xsc s LEU 8 Ca 0.00 0.19 -0.26 0.00 0.02 0.00 0.00 54.13 54.08 1xsc s LEU 8 Cb 0.00 -1.99 -0.01 0.00 0.02 0.00 0.00 46.19 44.21 1xsc s LEU 8 CO 0.00 0.24 0.87 -0.60 0.02 0.00 0.00 176.35 176.88 1xsc s ARG 9 N -0.03 4.28 0.18 1.70 3.52 -1.26 0.68 118.95 128.02 1xsc s ARG 9 Ca 0.07 1.07 0.01 0.00 -0.13 0.00 0.00 55.73 56.76 1xsc s ARG 9 Cb -0.12 -3.59 -0.05 0.00 -1.56 0.00 0.00 34.95 29.63 1xsc s ARG 9 CO 0.01 -0.40 0.03 0.00 -0.81 0.00 0.00 175.30 174.13 1xsc s ALA 10 N 2.40 1.33 -0.22 6.12 0.00 0.43 0.12 121.76 131.93 1xsc s ALA 10 Ca 0.39 -1.62 -0.09 0.00 0.00 0.00 0.00 51.96 50.64 1xsc s ALA 10 Cb -0.16 0.70 0.09 0.00 0.00 0.00 0.00 23.12 23.75 1xsc s ALA 10 CO 0.11 -0.38 0.49 0.00 0.00 0.00 0.00 175.76 175.99 1xsc s GLY 12 N 2.31 2.44 -0.16 0.00 0.00 0.49 -1.81 107.32 110.59 1xsc s GLY 12 Ca -0.05 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 42.90 1xsc s GLY 12 CO -0.15 -1.97 -0.09 1.08 0.00 0.00 0.00 173.10 171.97 1xsc s LEU 13 N -3.95 1.74 -0.96 0.66 1.43 -1.15 -3.01 118.68 113.45 1xsc s LEU 13 Ca 0.35 -0.61 -0.22 0.00 -1.03 0.00 0.00 54.13 52.62 1xsc s LEU 13 Cb 0.03 -1.06 0.08 0.00 0.03 0.00 0.00 46.19 45.27 1xsc s LEU 13 CO 0.20 -0.13 1.30 -0.63 0.23 0.00 0.00 176.35 177.32 1xsc s ILE 14 N 1.54 4.24 0.33 -0.59 1.01 0.39 -4.42 121.20 123.70 1xsc s ILE 14 Ca 0.02 -1.00 -0.24 0.00 0.00 0.00 0.00 60.65 59.42 1xsc s ILE 14 Cb -0.14 -4.93 -0.10 0.00 0.01 0.00 0.00 42.46 37.30 1xsc s ILE 14 CO -0.09 -1.75 0.92 -0.63 0.00 0.00 0.00 174.94 173.39 1xsc s ILE 15 N 4.10 4.29 -0.16 2.92 1.01 -1.26 0.27 121.20 132.37 1xsc s ILE 15 Ca 0.39 1.70 -0.06 0.00 0.00 0.00 0.00 60.65 62.68 1xsc s ILE 15 Cb -0.03 -3.92 0.07 0.00 0.01 0.00 0.00 42.46 38.60 1xsc s ILE 15 CO -0.08 0.06 0.35 0.72 0.00 0.00 0.00 174.94 176.00 1xsc s PHE 16 N -1.71 -0.61 -0.40 3.97 -0.12 1.10 -1.26 117.98 118.94 1xsc s PHE 16 Ca 0.52 1.25 -0.28 0.00 -0.05 0.00 0.00 56.93 58.36 1xsc s PHE 16 Cb -0.17 0.16 0.02 0.00 -0.63 0.00 0.00 43.02 42.41 1xsc s PHE 16 CO 0.21 -0.40 1.05 0.50 -0.05 0.00 0.00 175.22 176.53 1xsc s ARG 17 N 2.28 3.83 -0.57 1.99 6.06 0.30 -3.86 118.95 128.97 1xsc s ARG 17 Ca -0.02 0.67 -0.21 0.00 -2.50 0.00 0.00 55.73 53.67 1xsc s ARG 17 Cb -0.11 -3.84 0.07 0.00 0.06 0.00 0.00 34.95 31.13 1xsc s ARG 17 CO -0.11 -1.12 0.78 0.50 -2.50 0.00 0.00 175.30 172.84 1xsc s ARG 18 N 3.92 3.13 0.51 5.12 3.52 -1.26 -2.31 118.95 131.58 1xsc s ARG 18 Ca 0.44 -0.89 -0.08 0.00 -0.13 0.00 0.00 55.73 55.07 1xsc s ARG 18 Cb -0.10 -4.17 -0.04 0.00 -1.56 0.00 0.00 34.95 29.08 1xsc s ARG 18 CO 0.23 -1.49 0.85 0.00 -0.81 0.00 0.00 175.30 174.09 1xsc n LEU 20 N -2.25 0.08 -4.10 0.00 7.94 -1.26 -4.92 117.00 112.49 1xsc n LEU 20 Ca 0.02 0.43 -0.11 0.00 -1.11 0.00 0.00 56.01 55.25 1xsc n LEU 20 Cb 0.55 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.39 1xsc n LEU 20 CO 0.54 0.00 -0.38 0.27 -1.11 0.00 0.00 177.39 176.70 1xsc s ILE 21 N -0.87 0.50 0.84 1.96 -5.25 -1.26 -5.08 121.20 112.04 1xsc s ILE 21 Ca 0.00 -1.48 -0.12 0.00 -0.99 0.00 0.00 60.65 58.05 1xsc s ILE 21 Cb 0.00 -1.10 0.09 0.00 2.95 0.00 0.00 42.46 44.41 1xsc s ILE 21 CO 0.00 -0.67 1.11 -2.65 -1.79 0.00 0.00 174.94 170.94 1xsc n PRO 22 N 0.73 -0.02 0.00 0.37 -0.02 -1.26 -5.01 135.00 129.78 1xsc n PRO 22 Ca -0.18 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1xsc n PRO 22 Cb 0.58 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1xsc n PRO 22 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1xsc n LYS 23 N -3.35 0.00 0.00 -0.52 4.76 -1.26 -5.05 118.16 112.74 1xsc n LYS 23 Ca 0.13 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 1xsc n LYS 23 Cb 0.51 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.70 1xsc n LYS 23 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1xsc n VAL 24 N -1.37 0.00 -2.73 -0.18 0.31 -1.26 -4.99 118.33 108.11 1xsc n VAL 24 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 1xsc n VAL 24 Cb 0.00 -0.15 0.09 0.00 -0.91 0.00 0.00 33.84 32.87 1xsc n VAL 24 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1xsc n ASP 25 N -1.68 -2.30 -3.52 4.52 2.03 -1.26 -5.11 116.55 109.23 1xsc n ASP 25 Ca 0.00 -3.53 -0.11 0.00 0.52 0.00 0.00 54.79 51.67 1xsc n ASP 25 Cb 0.14 1.87 -0.10 0.00 -0.72 0.00 0.00 41.12 42.30 1xsc n ASP 25 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1xsc s ASN 26 N -1.21 0.22 0.99 1.67 2.20 -1.26 -5.15 114.94 112.39 1xsc s ASN 26 Ca 0.23 0.49 -0.14 0.00 -0.94 0.00 0.00 52.86 52.50 1xsc s ASN 26 Cb 0.29 1.04 0.07 0.00 -2.00 0.00 0.00 41.25 40.64 1xsc s ASN 26 CO -0.08 -0.27 0.41 -3.20 -2.94 0.00 0.00 177.10 171.02 1xsc n ASN 27 N 5.37 -1.95 0.09 3.54 2.85 -1.26 -4.49 115.26 119.41 1xsc n ASN 27 Ca -0.06 0.24 -0.06 0.00 -0.11 0.00 0.00 54.58 54.59 1xsc n ASN 27 Cb 0.50 -1.18 -0.03 0.00 1.24 0.00 0.00 39.78 40.30 1xsc n ASN 27 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xsc h ALA 28 N -1.72 -0.33 -3.38 5.20 0.00 -1.93 -3.46 119.26 113.64 1xsc h ALA 28 Ca -0.46 -0.10 -0.67 0.00 0.00 0.00 0.00 54.91 53.68 1xsc h ALA 28 Cb 1.30 0.13 -0.14 0.00 0.00 0.00 0.00 17.79 19.07 1xsc h ALA 28 CO 0.36 -0.32 -0.64 0.42 0.00 0.00 0.00 179.25 179.07 1xsc s ILE 29 N -2.78 4.16 -0.06 0.00 1.01 -1.26 -1.90 121.20 120.38 1xsc s ILE 29 Ca -0.06 -0.50 -0.00 0.00 0.00 0.00 0.00 60.65 60.09 1xsc s ILE 29 Cb 0.00 -2.82 0.02 0.00 0.01 0.00 0.00 42.46 39.68 1xsc s ILE 29 CO 0.20 0.45 -0.03 -1.61 0.00 0.00 0.00 174.94 173.96 1xsc s GLU 30 N -1.32 0.76 0.15 2.79 2.02 -0.98 -4.30 118.70 117.82 1xsc s GLU 30 Ca 0.17 -0.02 -0.15 0.00 0.02 0.00 0.00 54.97 55.00 1xsc s GLU 30 Cb -0.11 -0.93 -0.07 0.00 0.10 0.00 0.00 34.13 33.12 1xsc s GLU 30 CO 0.07 -0.19 0.57 -0.06 0.02 0.00 0.00 175.26 175.68 1xsc s PHE 31 N 1.42 3.62 -0.04 1.61 0.08 0.32 0.11 117.98 125.10 1xsc s PHE 31 Ca -0.03 1.11 -0.24 0.00 0.12 0.00 0.00 56.93 57.89 1xsc s PHE 31 Cb -0.13 -2.41 -0.04 0.00 -0.57 0.00 0.00 43.02 39.87 1xsc s PHE 31 CO -0.03 0.43 0.72 -1.17 -0.10 0.00 0.00 175.22 175.07 1xsc s LEU 32 N -1.91 4.35 -0.01 -0.37 2.96 -0.39 -2.13 118.68 121.18 1xsc s LEU 32 Ca 0.38 1.25 0.04 0.00 -0.22 0.00 0.00 54.13 55.58 1xsc s LEU 32 Cb -0.15 -3.12 -0.01 0.00 0.50 0.00 0.00 46.19 43.40 1xsc s LEU 32 CO 0.19 -0.08 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.24 1xsc s LEU 33 N 0.59 2.03 -0.31 -0.68 1.43 -0.02 -4.46 118.68 117.26 1xsc s LEU 33 Ca 0.38 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.26 1xsc s LEU 33 Cb -0.18 -0.69 0.08 0.00 0.03 0.00 0.00 46.19 45.43 1xsc s LEU 33 CO 0.19 0.16 -0.01 -0.76 0.23 0.00 0.00 176.35 176.17 1xsc s LEU 34 N -0.34 4.26 -0.02 1.79 1.43 -1.07 -0.47 118.68 124.27 1xsc s LEU 34 Ca 0.05 -1.85 -0.32 0.00 -1.03 0.00 0.00 54.13 50.98 1xsc s LEU 34 Cb -0.05 -1.61 -0.10 0.00 0.03 0.00 0.00 46.19 44.46 1xsc s LEU 34 CO -0.00 -0.31 1.95 1.67 0.23 0.00 0.00 176.35 179.88 1xsc n GLN 35 N 4.33 2.56 -1.77 1.70 7.27 0.22 -1.82 117.38 129.87 1xsc n GLN 35 Ca -0.03 0.94 -0.41 0.00 0.07 0.00 0.00 57.00 57.56 1xsc n GLN 35 Cb 0.42 -2.86 0.00 0.00 2.41 0.00 0.00 30.24 30.21 1xsc n GLN 35 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xsc n ALA 36 N 7.27 2.26 0.26 1.69 0.00 0.13 -1.11 120.51 131.01 1xsc n ALA 36 Ca 0.21 0.33 0.05 0.00 0.00 0.00 0.00 53.44 54.03 1xsc n ALA 36 Cb 0.36 -2.41 0.21 0.00 0.00 0.00 0.00 19.45 17.61 1xsc n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xsc n SER 37 N 0.35 3.02 -0.76 0.00 3.41 -0.55 -4.49 113.62 114.61 1xsc n SER 37 Ca 0.02 -2.30 0.00 0.00 -0.26 0.00 0.00 58.87 56.33 1xsc n SER 37 Cb 0.39 -0.47 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 0.47 -0.16 0.00 0.00 175.04 175.35 1xsc n ASP 38 N 0.49 0.00 0.00 4.04 10.43 -1.26 -4.95 116.55 125.30 1xsc n ASP 38 Ca 0.15 -0.76 0.00 0.00 2.57 0.00 0.00 54.79 56.75 1xsc n ASP 38 Cb 0.60 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.56 1xsc n ASP 38 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1xsc n GLY 39 N 0.00 3.08 0.47 0.44 0.00 -1.26 -1.01 105.19 106.92 1xsc n GLY 39 Ca 0.00 -0.21 0.08 0.00 0.00 0.00 0.00 46.02 45.89 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 0.25 -2.57 -0.61 -5.35 -1.26 -4.90 119.36 104.92 1xsc n ILE 40 Ca 0.00 -0.32 -0.13 0.00 -0.27 0.00 0.00 62.75 62.03 1xsc n ILE 40 Cb 0.00 0.22 0.01 0.00 -1.74 0.00 0.00 39.64 38.13 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 0.19 -1.01 -1.15 4.28 8.25 -0.18 -5.01 115.22 120.59 1xsc n HIS 41 Ca 0.13 0.22 -0.29 0.00 -0.26 0.00 0.00 57.72 57.52 1xsc n HIS 41 Cb 0.26 -3.05 0.20 0.00 1.12 0.00 0.00 29.99 28.52 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 -2.83 1.60 -0.35 4.41 -3.43 -1.26 -4.48 115.29 108.95 1xsc s HIS 42 Ca 0.13 0.81 -0.08 0.00 -0.80 0.00 0.00 55.06 55.12 1xsc s HIS 42 Cb -0.06 -3.34 0.04 0.00 -1.43 0.00 0.00 32.58 27.79 1xsc s HIS 42 CO 0.16 -3.23 0.13 -1.58 -2.00 0.00 0.00 174.74 168.22 1xsc s TRP 43 N -2.99 3.25 -0.06 0.38 0.52 -1.26 0.19 118.94 118.97 1xsc s TRP 43 Ca 0.67 -1.28 0.02 0.00 0.02 0.00 0.00 56.10 55.53 1xsc s TRP 43 Cb -0.16 -2.32 0.01 0.00 -1.15 0.00 0.00 33.47 29.85 1xsc s TRP 43 CO 0.57 -0.70 -0.12 0.95 0.02 0.00 0.00 176.95 177.67 1xsc s THR 44 N 1.45 1.12 1.27 2.01 -4.23 -0.76 -4.33 115.64 112.17 1xsc s THR 44 Ca -0.01 -0.48 -0.19 0.00 -1.18 0.00 0.00 61.69 59.84 1xsc s THR 44 Cb -0.19 -1.02 0.30 0.00 1.34 0.00 0.00 72.50 72.93 1xsc s THR 44 CO 0.04 0.35 0.67 -2.65 -0.54 0.00 0.00 174.62 172.49 1xsc n PRO 45 N 3.75 -3.80 -1.54 3.99 -0.02 -1.26 -2.58 135.00 133.54 1xsc n PRO 45 Ca -0.22 -1.13 -0.37 0.00 -2.02 0.00 0.00 63.50 59.75 1xsc n PRO 45 Cb 0.52 -1.73 -0.06 0.00 -0.02 0.00 0.00 33.50 32.20 1xsc n PRO 45 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1xsc n PRO 46 N -4.11 0.74 -3.85 0.52 -0.02 -1.26 -4.72 135.00 122.29 1xsc n PRO 46 Ca 0.10 -0.01 -0.37 0.00 -2.02 0.00 0.00 63.50 61.21 1xsc n PRO 46 Cb 0.48 -2.89 -0.06 0.00 -0.02 0.00 0.00 33.50 31.01 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 8.50 3.48 0.12 -0.52 3.01 -1.26 -2.91 119.74 130.17 1xsc s LYS 47 Ca 1.09 -0.10 -0.02 0.00 -1.01 0.00 0.00 55.97 55.92 1xsc s LYS 47 Cb -0.48 -3.18 -0.03 0.00 -1.01 0.00 0.00 37.83 33.12 1xsc s LYS 47 CO 0.33 0.76 0.08 0.20 0.51 0.00 0.00 175.35 177.23 1xsc s GLY 48 N -1.16 0.83 -0.37 -3.33 0.00 -0.75 -4.89 107.32 97.65 1xsc s GLY 48 Ca 0.18 -1.33 -0.12 0.00 0.00 0.00 0.00 44.72 43.44 1xsc s GLY 48 CO 0.07 -1.26 0.23 -1.58 0.00 0.00 0.00 173.10 170.56 1xsc s HIS 49 N -4.02 3.23 0.02 1.90 2.46 -1.26 0.20 115.29 117.83 1xsc s HIS 49 Ca 0.20 -0.68 -0.23 0.00 0.47 0.00 0.00 55.06 54.82 1xsc s HIS 49 Cb 0.07 -2.48 -0.05 0.00 -0.13 0.00 0.00 32.58 29.99 1xsc s HIS 49 CO -0.00 -0.56 0.70 0.54 -2.47 0.00 0.00 174.74 172.94 1xsc s VAL 50 N 1.63 4.82 0.24 0.89 0.11 0.12 -4.90 120.40 123.31 1xsc s VAL 50 Ca 0.04 1.47 -0.09 0.00 -2.93 0.00 0.00 61.98 60.46 1xsc s VAL 50 Cb -0.19 -4.04 -0.07 0.00 -1.53 0.00 0.00 36.38 30.55 1xsc s VAL 50 CO 0.08 0.38 0.56 -0.70 -3.33 0.00 0.00 175.10 172.09 1xsc s GLU 51 N -0.04 3.80 0.62 1.54 2.12 -1.26 -4.36 118.70 121.12 1xsc s GLU 51 Ca 0.36 0.27 0.29 0.00 0.36 0.00 0.00 54.97 56.25 1xsc s GLU 51 Cb -0.19 -2.63 1.55 0.00 0.26 0.00 0.00 34.13 33.12 1xsc s GLU 51 CO 0.20 0.29 1.92 -1.00 -0.54 0.00 0.00 175.26 176.14 1xsc h PRO 52 N 2.44 0.00 0.00 4.30 0.13 -1.97 0.22 132.00 137.11 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 0.69 0.00 -1.04 0.41 -0.23 0.00 0.00 178.00 177.82 1xsc n GLY 53 N -1.38 -0.84 3.91 1.56 0.00 -1.26 -4.98 105.19 102.21 1xsc n GLY 53 Ca 0.03 -0.54 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.90 2.65 0.59 1.61 2.12 0.76 -5.07 118.70 118.47 1xsc s GLU 54 Ca 0.06 0.01 -0.12 0.00 0.36 0.00 0.00 54.97 55.27 1xsc s GLU 54 Cb 0.14 -2.18 -0.05 0.00 0.26 0.00 0.00 34.13 32.30 1xsc s GLU 54 CO 0.80 -0.96 1.01 0.34 -0.54 0.00 0.00 175.26 175.92 1xsc s ASP 55 N -4.39 6.30 -0.01 -1.70 -1.08 -1.26 -4.73 116.67 109.80 1xsc s ASP 55 Ca 0.57 1.42 -0.06 0.00 -0.52 0.00 0.00 52.55 53.96 1xsc s ASP 55 Cb -0.11 -2.47 -0.03 0.00 -1.46 0.00 0.00 42.92 38.85 1xsc s ASP 55 CO 0.46 -0.81 0.51 0.44 0.52 0.00 0.00 175.17 176.30 1xsc h ASP 56 N -0.07 -0.18 -0.62 -0.34 3.45 -1.97 -3.14 116.42 113.55 1xsc h ASP 56 Ca -0.45 0.01 -0.04 0.00 0.43 0.00 0.00 57.03 56.98 1xsc h ASP 56 Cb 1.19 0.05 -0.03 0.00 -0.56 0.00 0.00 39.33 39.98 1xsc h ASP 56 CO 0.62 -0.02 0.24 0.25 -1.57 0.00 0.00 179.24 178.76 1xsc h LEU 57 N -0.42 0.90 -0.48 1.55 5.85 -1.97 -2.93 115.31 117.80 1xsc h LEU 57 Ca -0.02 -0.14 0.10 0.00 0.84 0.00 0.00 57.88 58.66 1xsc h LEU 57 Cb 0.16 -0.23 -0.09 0.00 0.37 0.00 0.00 40.66 40.86 1xsc h LEU 57 CO 0.04 0.82 -0.15 -0.33 -0.34 0.00 0.00 178.44 178.48 1xsc h GLU 58 N 0.95 -0.03 -0.57 1.25 5.08 -1.98 0.95 114.58 120.23 1xsc h GLU 58 Ca 0.22 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.66 1xsc h GLU 58 Cb 0.22 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.41 1xsc h GLU 58 CO -0.02 -0.02 0.22 1.15 -1.00 0.00 0.00 179.01 179.35 1xsc h THR 59 N -0.03 0.81 0.00 1.13 2.02 -1.46 1.12 112.91 116.50 1xsc h THR 59 Ca 0.23 -0.14 -0.06 0.00 0.77 0.00 0.00 66.41 67.21 1xsc h THR 59 Cb 0.39 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1xsc h THR 59 CO -0.52 0.08 -0.30 0.00 0.37 0.00 0.00 175.52 175.15 1xsc h ALA 60 N 1.38 1.43 0.06 6.16 0.00 -0.81 -0.18 119.26 127.30 1xsc h ALA 60 Ca 0.28 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xsc h ALA 60 Cb 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1xsc h ALA 60 CO -0.27 0.37 -0.03 -0.07 0.00 0.00 0.00 179.25 179.25 1xsc h LEU 61 N 0.00 -0.07 -0.66 0.00 3.38 0.42 -2.62 115.31 115.76 1xsc h LEU 61 Ca -0.00 -0.56 0.03 0.00 0.09 0.00 0.00 57.88 57.43 1xsc h LEU 61 Cb 0.55 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1xsc h LEU 61 CO 0.04 0.59 0.41 -0.09 0.09 0.00 0.00 178.44 179.48 1xsc h ARG 62 N -0.82 0.78 -0.27 1.13 2.43 0.12 -1.08 114.38 116.68 1xsc h ARG 62 Ca -0.01 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1xsc h ARG 62 Cb 0.63 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1xsc h ARG 62 CO 0.01 0.52 0.12 0.00 -1.51 0.00 0.00 179.97 179.11 1xsc h ALA 63 N 1.28 1.71 0.26 2.80 0.00 -1.11 0.54 119.26 124.74 1xsc h ALA 63 Ca 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1xsc h ALA 63 Cb 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1xsc h ALA 63 CO -0.10 0.24 -0.13 1.15 0.00 0.00 0.00 179.25 180.41 1xsc h THR 64 N 0.37 0.77 0.00 0.00 2.02 -0.81 1.11 112.91 116.37 1xsc h THR 64 Ca 0.10 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 1xsc h THR 64 Cb 0.06 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1xsc h THR 64 CO -0.01 0.03 -0.23 -0.61 0.37 0.00 0.00 175.52 175.08 1xsc h GLN 65 N -0.43 0.00 0.23 6.66 4.15 -0.21 0.82 115.11 126.33 1xsc h GLN 65 Ca -0.04 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.05 1xsc h GLN 65 Cb 0.32 0.00 0.04 0.00 0.21 0.00 0.00 27.48 28.05 1xsc h GLN 65 CO 0.06 0.23 -1.43 0.93 -1.93 0.00 0.00 178.83 176.69 1xsc h GLU 66 N 0.00 0.57 -0.10 1.69 4.39 0.43 0.20 114.58 121.76 1xsc h GLU 66 Ca -0.00 -0.91 0.00 0.00 0.34 0.00 0.00 59.36 58.78 1xsc h GLU 66 Cb 0.93 0.33 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1xsc h GLU 66 CO 0.03 1.43 0.00 0.39 -1.16 0.00 0.00 179.01 179.70 1xsc n GLU 67 N -3.74 1.80 0.00 2.33 -0.58 0.38 -4.14 120.64 116.69 1xsc n GLU 67 Ca -0.16 -1.75 0.00 0.00 -0.42 0.00 0.00 57.16 54.83 1xsc n GLU 67 Cb 1.08 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 30.57 1xsc n GLU 67 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xsc n ALA 68 N 1.09 0.00 -0.20 0.62 0.00 0.28 -4.25 120.51 118.05 1xsc n ALA 68 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1xsc n ALA 68 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 2.43 3.63 0.00 0.00 0.70 0.90 105.19 112.86 1xsc n GLY 69 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.08 5.22 0.37 -0.61 1.01 -1.19 -4.70 121.20 118.22 1xsc s ILE 70 Ca 0.00 0.52 0.07 0.00 0.00 0.00 0.00 60.65 61.24 1xsc s ILE 70 Cb 0.00 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.79 1xsc s ILE 70 CO 0.00 0.23 0.39 -1.83 0.00 0.00 0.00 174.94 173.73 1xsc s GLU 71 N 1.64 2.74 0.42 2.79 -1.05 -1.26 -0.25 118.70 123.73 1xsc s GLU 71 Ca 0.14 -1.32 0.23 0.00 -0.15 0.00 0.00 54.97 53.87 1xsc s GLU 71 Cb -0.15 -2.54 1.22 0.00 -0.44 0.00 0.00 34.13 32.22 1xsc s GLU 71 CO 0.08 -0.06 1.74 0.00 0.95 0.00 0.00 175.26 177.97 1xsc h ALA 72 N 1.03 2.43 0.00 -0.84 0.00 -1.88 1.21 119.26 121.20 1xsc h ALA 72 Ca -0.43 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1xsc h ALA 72 Cb 1.26 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1xsc h ALA 72 CO 0.55 -0.88 -0.17 0.78 0.00 0.00 0.00 179.25 179.53 1xsc h GLY 73 N 0.29 0.00 -0.23 0.00 0.00 -1.99 -2.39 103.07 98.74 1xsc h GLY 73 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.98 1xsc h GLY 73 CO -0.30 0.00 -0.42 -0.18 0.00 0.00 0.00 176.54 175.63 1xsc n GLN 74 N -3.43 0.87 -2.25 4.80 -0.06 0.40 -4.93 117.38 112.78 1xsc n GLN 74 Ca -0.01 -0.63 -0.03 0.00 -2.00 0.00 0.00 57.00 54.34 1xsc n GLN 74 Cb 0.35 -1.49 -0.01 0.00 -4.06 0.00 0.00 30.24 25.04 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 -0.52 0.00 -3.60 1.69 -0.00 -0.53 -0.22 117.00 113.82 1xsc n LEU 75 Ca 0.10 -0.33 -0.29 0.00 -0.00 0.00 0.00 56.01 55.49 1xsc n LEU 75 Cb 0.40 0.12 -0.15 0.00 -0.00 0.00 0.00 43.42 43.78 1xsc n LEU 75 CO 0.29 -0.05 -0.33 -0.89 -0.00 0.00 0.00 177.39 176.41 1xsc s THR 76 N -1.78 0.19 -0.40 1.47 2.01 0.20 -4.77 115.64 112.56 1xsc s THR 76 Ca 0.03 -0.89 -0.29 0.00 0.31 0.00 0.00 61.69 60.85 1xsc s THR 76 Cb 0.00 -1.14 0.00 0.00 0.01 0.00 0.00 72.50 71.38 1xsc s THR 76 CO 0.02 -0.68 1.52 -0.63 -0.69 0.00 0.00 174.62 174.16 1xsc s ILE 77 N 1.97 3.78 0.22 1.82 -1.09 -1.25 -1.26 121.20 125.39 1xsc s ILE 77 Ca 0.08 0.79 -0.30 0.00 -2.23 0.00 0.00 60.65 59.00 1xsc s ILE 77 Cb -0.16 -4.06 -0.09 0.00 -1.58 0.00 0.00 42.46 36.57 1xsc s ILE 77 CO -0.32 -0.68 1.22 -0.63 -1.23 0.00 0.00 174.94 173.30 1xsc s ILE 78 N 5.86 3.38 0.17 2.92 1.09 0.31 -4.97 121.20 129.97 1xsc s ILE 78 Ca 0.66 1.21 -0.07 0.00 -1.10 0.00 0.00 60.65 61.35 1xsc s ILE 78 Cb -0.16 -3.77 -0.06 0.00 -1.06 0.00 0.00 42.46 37.41 1xsc s ILE 78 CO 0.33 0.22 0.44 -1.61 -0.10 0.00 0.00 174.94 174.21 1xsc s GLU 79 N -0.57 3.69 0.00 2.79 2.02 -1.26 -4.27 118.70 121.10 1xsc s GLU 79 Ca 0.52 0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.57 1xsc s GLU 79 Cb -0.34 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.11 1xsc s GLU 79 CO 0.39 0.42 0.00 0.41 0.02 0.00 0.00 175.26 176.50 1xsc n GLY 80 N 0.04 2.06 3.68 -1.39 0.00 -1.26 -5.06 105.19 103.27 1xsc n GLY 80 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.51 3.26 -0.24 1.61 2.19 -1.26 -5.10 117.98 115.93 1xsc s PHE 81 Ca 0.00 0.17 -0.21 0.00 0.33 0.00 0.00 56.93 57.22 1xsc s PHE 81 Cb 0.00 -1.93 0.07 0.00 -1.31 0.00 0.00 43.02 39.85 1xsc s PHE 81 CO 0.00 0.36 0.64 0.21 1.83 0.00 0.00 175.22 178.27 1xsc s LYS 82 N -0.37 0.73 -0.23 10.12 2.47 -1.26 -4.74 119.74 126.46 1xsc s LYS 82 Ca 0.08 0.94 -0.27 0.00 -1.56 0.00 0.00 55.97 55.17 1xsc s LYS 82 Cb -0.12 0.32 0.11 0.00 -1.46 0.00 0.00 37.83 36.67 1xsc s LYS 82 CO 0.02 -0.10 0.93 1.03 0.16 0.00 0.00 175.35 177.38 1xsc s ARG 83 N 0.58 0.64 -0.06 4.03 0.52 -1.22 -5.00 118.95 118.43 1xsc s ARG 83 Ca -0.02 0.57 0.01 0.00 -0.52 0.00 0.00 55.73 55.77 1xsc s ARG 83 Cb -0.05 0.31 0.02 0.00 0.52 0.00 0.00 34.95 35.75 1xsc s ARG 83 CO -0.03 -0.12 -0.06 -1.83 0.02 0.00 0.00 175.30 173.28 1xsc s GLU 84 N -0.12 1.10 -0.31 3.54 1.03 -1.25 0.14 118.70 122.84 1xsc s GLU 84 Ca 0.00 -0.17 -0.20 0.00 0.03 0.00 0.00 54.97 54.63 1xsc s GLU 84 Cb -0.04 -1.09 -0.01 0.00 -0.80 0.00 0.00 34.13 32.20 1xsc s GLU 84 CO -0.02 -0.10 0.62 -0.51 -1.33 0.00 0.00 175.26 173.92 1xsc s LEU 85 N 1.08 4.15 -0.16 1.83 1.43 0.28 -4.73 118.68 122.56 1xsc s LEU 85 Ca -0.08 0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 53.41 1xsc s LEU 85 Cb -0.14 -2.80 -0.01 0.00 0.03 0.00 0.00 46.19 43.27 1xsc s LEU 85 CO -0.01 -0.47 -0.11 0.20 0.23 0.00 0.00 176.35 176.19 1xsc s ASN 86 N 1.65 4.02 -0.26 2.29 0.01 -1.25 -0.38 114.94 121.02 1xsc s ASN 86 Ca 0.25 -0.37 -0.26 0.00 -0.71 0.00 0.00 52.86 51.77 1xsc s ASN 86 Cb -0.15 -1.64 0.12 0.00 0.41 0.00 0.00 41.25 40.00 1xsc s ASN 86 CO 0.12 0.10 1.01 -0.72 -1.51 0.00 0.00 177.10 176.10 1xsc s TYR 87 N 0.72 -0.47 -0.42 2.20 -0.85 -1.16 -4.93 117.35 112.43 1xsc s TYR 87 Ca -0.05 1.11 -0.25 0.00 -0.52 0.00 0.00 57.07 57.35 1xsc s TYR 87 Cb -0.15 0.37 0.02 0.00 0.38 0.00 0.00 41.96 42.58 1xsc s TYR 87 CO 0.02 -0.26 0.91 0.54 -1.52 0.00 0.00 175.55 175.24 1xsc s VAL 88 N 0.02 4.53 0.00 -3.49 0.11 -1.26 -0.70 120.40 119.62 1xsc s VAL 88 Ca 0.02 0.91 0.00 0.00 -2.93 0.00 0.00 61.98 59.98 1xsc s VAL 88 Cb -0.04 -4.38 0.00 0.00 -1.53 0.00 0.00 36.38 30.43 1xsc s VAL 88 CO -0.05 -0.70 0.00 0.00 -3.33 0.00 0.00 175.10 171.03 1xsc n ALA 89 N 6.97 0.00 0.13 1.54 0.00 -1.04 -4.69 120.51 123.42 1xsc n ALA 89 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.29 1xsc n ALA 89 Cb 0.48 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.78 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 0.42 0.00 0.00 0.11 -2.04 -3.44 114.38 109.43 1xsc h ARG 90 Ca 0.00 -0.72 -0.01 0.00 0.10 0.00 0.00 59.98 59.35 1xsc h ARG 90 Cb 0.00 0.27 -0.01 0.00 1.11 0.00 0.00 29.97 31.34 1xsc h ARG 90 CO 0.00 1.35 -0.02 0.09 0.10 0.00 0.00 179.97 181.48 1xsc n ASN 91 N -3.63 -0.08 -3.66 0.08 3.02 -1.26 -5.13 115.26 104.59 1xsc n ASN 91 Ca -0.13 -0.20 -0.06 0.00 -0.03 0.00 0.00 54.58 54.16 1xsc n ASN 91 Cb 1.07 0.02 -0.07 0.00 -0.61 0.00 0.00 39.78 40.19 1xsc n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1xsc s LYS 92 N 0.00 0.46 -0.16 3.52 2.47 -1.26 -5.09 119.74 119.67 1xsc s LYS 92 Ca 0.00 1.18 -0.29 0.00 -1.56 0.00 0.00 55.97 55.29 1xsc s LYS 92 Cb 0.00 0.47 -0.03 0.00 -1.46 0.00 0.00 37.83 36.81 1xsc s LYS 92 CO 0.00 -0.21 1.46 -1.25 0.16 0.00 0.00 175.35 175.51 1xsc s PRO 93 N 2.48 4.08 -0.23 4.03 0.04 -1.26 -2.50 135.00 141.65 1xsc s PRO 93 Ca -0.05 1.76 -0.14 0.00 0.04 0.00 0.00 61.00 62.62 1xsc s PRO 93 Cb -0.11 -3.90 -0.04 0.00 0.04 0.00 0.00 34.50 30.48 1xsc s PRO 93 CO -0.16 -0.93 0.30 0.15 0.04 0.00 0.00 177.00 176.40 1xsc s LYS 94 N 4.01 4.11 -0.43 4.56 -0.14 0.13 0.77 119.74 132.75 1xsc s LYS 94 Ca 0.64 -0.01 -0.19 0.00 -1.36 0.00 0.00 55.97 55.05 1xsc s LYS 94 Cb -0.25 -3.56 0.02 0.00 -1.68 0.00 0.00 37.83 32.36 1xsc s LYS 94 CO 0.23 -0.04 0.54 0.99 -0.76 0.00 0.00 175.35 176.32 1xsc s THR 95 N 1.33 4.95 -0.36 2.17 2.01 0.22 -3.00 115.64 122.95 1xsc s THR 95 Ca 0.14 -0.09 -0.06 0.00 0.31 0.00 0.00 61.69 61.99 1xsc s THR 95 Cb -0.14 -4.12 0.06 0.00 0.01 0.00 0.00 72.50 68.30 1xsc s THR 95 CO 0.07 -0.50 0.14 -0.69 -0.69 0.00 0.00 174.62 172.95 1xsc s VAL 96 N 2.49 3.74 -0.09 3.82 1.01 0.49 0.16 120.40 132.03 1xsc s VAL 96 Ca 0.18 -1.33 -0.23 0.00 0.00 0.00 0.00 61.98 60.59 1xsc s VAL 96 Cb -0.15 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 1xsc s VAL 96 CO 0.16 -0.31 0.71 -0.63 0.00 0.00 0.00 175.10 175.03 1xsc s ILE 97 N 1.36 5.03 -0.08 2.22 -1.09 -0.92 0.10 121.20 127.82 1xsc s ILE 97 Ca 0.00 1.44 0.02 0.00 -2.23 0.00 0.00 60.65 59.88 1xsc s ILE 97 Cb -0.21 -4.04 -0.02 0.00 -1.58 0.00 0.00 42.46 36.61 1xsc s ILE 97 CO 0.01 0.22 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.49 1xsc s TYR 98 N 1.04 2.74 0.06 3.97 2.02 0.37 0.18 117.35 127.74 1xsc s TYR 98 Ca 0.37 -0.33 0.08 0.00 -0.37 0.00 0.00 57.07 56.82 1xsc s TYR 98 Cb -0.17 -1.71 -0.03 0.00 -0.40 0.00 0.00 41.96 39.65 1xsc s TYR 98 CO 0.17 0.05 -0.22 -1.58 -1.57 0.00 0.00 175.55 172.39 1xsc s TRP 99 N -0.34 1.95 -0.08 2.71 0.51 -1.16 -3.46 118.94 119.07 1xsc s TRP 99 Ca 0.03 -0.39 -0.30 0.00 -2.12 0.00 0.00 56.10 53.33 1xsc s TRP 99 Cb -0.13 -1.14 -0.02 0.00 -0.81 0.00 0.00 33.47 31.37 1xsc s TRP 99 CO 0.02 0.14 1.06 -0.51 -0.51 0.00 0.00 176.95 177.15 1xsc s LEU 100 N -1.39 4.27 0.04 2.99 1.43 -1.25 0.15 118.68 124.92 1xsc s LEU 100 Ca 0.09 1.63 0.04 0.00 -1.03 0.00 0.00 54.13 54.86 1xsc s LEU 100 Cb -0.09 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 1xsc s LEU 100 CO 0.03 -0.47 -0.11 0.00 0.23 0.00 0.00 176.35 176.03 1xsc s ALA 101 N 1.93 0.91 -0.21 4.21 0.00 0.14 0.12 121.76 128.86 1xsc s ALA 101 Ca 0.51 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1xsc s ALA 101 Cb -0.21 -0.08 0.05 0.00 0.00 0.00 0.00 23.12 22.89 1xsc s ALA 101 CO 0.20 0.12 -0.06 -2.00 0.00 0.00 0.00 175.76 174.02 1xsc s GLU 102 N -1.35 1.64 0.09 0.00 2.12 -0.39 0.35 118.70 121.16 1xsc s GLU 102 Ca -0.03 -0.85 -0.31 0.00 0.36 0.00 0.00 54.97 54.14 1xsc s GLU 102 Cb -0.09 -2.43 -0.07 0.00 0.26 0.00 0.00 34.13 31.81 1xsc s GLU 102 CO 0.01 -0.53 1.28 0.14 -0.54 0.00 0.00 175.26 175.61 1xsc s VAL 103 N 1.46 3.73 0.42 3.70 -7.23 -1.25 0.59 120.40 121.82 1xsc s VAL 103 Ca -0.03 1.24 0.30 0.00 -1.81 0.00 0.00 61.98 61.68 1xsc s VAL 103 Cb -0.18 -3.80 0.32 0.00 0.56 0.00 0.00 36.38 33.29 1xsc s VAL 103 CO -0.07 0.10 2.11 0.11 -0.31 0.00 0.00 175.10 177.04 1xsc h LYS 104 N 6.75 0.00 -5.31 4.82 1.79 -0.91 -3.42 116.57 120.29 1xsc h LYS 104 Ca -0.42 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.42 1xsc h LYS 104 Cb 1.21 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 31.67 1xsc h LYS 104 CO 0.83 0.09 -0.63 0.34 -1.08 0.00 0.00 179.45 179.00 1xsc s ASP 105 N -6.01 5.10 0.24 0.86 -1.08 -1.26 -4.99 116.67 109.53 1xsc s ASP 105 Ca -0.03 -0.05 -0.03 0.00 -0.52 0.00 0.00 52.55 51.93 1xsc s ASP 105 Cb 0.13 -1.84 0.26 0.00 -1.46 0.00 0.00 42.92 40.01 1xsc s ASP 105 CO 0.56 0.18 1.69 0.22 0.52 0.00 0.00 175.17 178.34 1xsc h TYR 106 N 6.65 0.84 -0.57 -5.34 3.20 -2.00 -2.54 116.97 117.20 1xsc h TYR 106 Ca -0.34 -0.16 -0.22 0.00 3.14 0.00 0.00 58.73 61.15 1xsc h TYR 106 Cb 1.18 -0.21 -0.13 0.00 1.54 0.00 0.00 36.73 39.11 1xsc h TYR 106 CO 0.54 0.85 0.18 -3.47 -1.64 0.00 0.00 178.16 174.62 1xsc n ASP 107 N -4.15 3.64 -4.38 -2.11 -0.08 -1.26 -5.04 116.55 103.17 1xsc n ASP 107 Ca 0.01 -3.45 -0.41 0.00 -1.51 0.00 0.00 54.79 49.43 1xsc n ASP 107 Cb 0.38 -0.69 0.01 0.00 2.34 0.00 0.00 41.12 43.15 1xsc n ASP 107 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1xsc n VAL 108 N -0.75 1.28 -2.33 5.18 3.14 -0.96 -4.87 118.33 119.01 1xsc n VAL 108 Ca 0.38 -0.50 -0.39 0.00 -2.96 0.00 0.00 64.34 60.87 1xsc n VAL 108 Cb 1.23 -0.31 -0.03 0.00 -1.06 0.00 0.00 33.84 33.67 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 -1.38 4.26 -0.37 1.45 1.03 -1.26 -5.01 118.70 117.42 1xsc s GLU 109 Ca 0.62 1.86 0.04 0.00 0.03 0.00 0.00 54.97 57.52 1xsc s GLU 109 Cb -0.59 -2.86 0.10 0.00 -0.80 0.00 0.00 34.13 29.98 1xsc s GLU 109 CO 0.60 -0.15 0.09 0.42 -1.33 0.00 0.00 175.26 174.89 1xsc s ILE 110 N -1.33 2.37 -0.54 1.83 -1.09 -1.24 -4.32 121.20 116.89 1xsc s ILE 110 Ca 0.53 -2.46 -0.18 0.00 -2.23 0.00 0.00 60.65 56.30 1xsc s ILE 110 Cb -0.32 -2.73 0.08 0.00 -1.58 0.00 0.00 42.46 37.91 1xsc s ILE 110 CO 0.41 -0.63 0.62 -0.13 -1.23 0.00 0.00 174.94 173.97 1xsc s ARG 111 N 0.76 3.06 -0.12 2.79 0.52 0.26 -4.87 118.95 121.35 1xsc s ARG 111 Ca 0.12 -1.20 -0.07 0.00 -0.52 0.00 0.00 55.73 54.06 1xsc s ARG 111 Cb -0.20 -4.19 -0.04 0.00 0.52 0.00 0.00 34.95 31.04 1xsc s ARG 111 CO -0.07 -1.34 0.14 -0.51 0.02 0.00 0.00 175.30 173.54 1xsc s LEU 112 N 2.43 4.36 0.00 2.53 1.43 -1.26 -1.35 118.68 126.82 1xsc s LEU 112 Ca 0.11 0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 1xsc s LEU 112 Cb -0.23 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 43.93 1xsc s LEU 112 CO 0.08 0.41 0.00 -1.54 0.23 0.00 0.00 176.35 175.53 1xsc n SER 113 N 2.01 0.00 -0.56 2.29 3.41 -1.26 -4.94 113.62 114.57 1xsc n SER 113 Ca -0.20 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.42 1xsc n SER 113 Cb 0.55 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.53 1xsc n SER 113 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1xsc n HIS 114 N 0.00 0.16 -0.09 7.33 8.25 -1.26 -3.40 115.22 126.20 1xsc n HIS 114 Ca 0.00 -0.05 -0.11 0.00 -0.26 0.00 0.00 57.72 57.29 1xsc n HIS 114 Cb 0.00 -0.12 -0.11 0.00 1.12 0.00 0.00 29.99 30.88 1xsc n HIS 114 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1xsc n GLU 115 N 0.02 0.91 -5.15 -0.41 4.07 -1.26 -4.91 120.64 113.90 1xsc n GLU 115 Ca 0.02 0.06 -0.32 0.00 -0.06 0.00 0.00 57.16 56.86 1xsc n GLU 115 Cb 0.30 -1.42 -0.15 0.00 -0.06 0.00 0.00 31.44 30.11 1xsc n GLU 115 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 1xsc s HIS 116 N -2.41 2.48 -0.49 4.31 3.76 -1.22 -1.48 115.29 120.24 1xsc s HIS 116 Ca -0.19 -0.34 0.23 0.00 -0.15 0.00 0.00 55.06 54.61 1xsc s HIS 116 Cb 0.06 -1.55 0.05 0.00 1.11 0.00 0.00 32.58 32.25 1xsc s HIS 116 CO 0.57 0.04 1.03 0.00 -0.85 0.00 0.00 174.74 175.53 1xsc n GLN 117 N 2.41 0.38 -3.88 1.40 10.64 -0.26 -4.55 117.38 123.52 1xsc n GLN 117 Ca -0.16 0.02 -0.00 0.00 -1.83 0.00 0.00 57.00 55.02 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 s ALA 118 N -3.25 -2.02 0.23 2.61 0.00 -1.23 -5.01 121.76 113.08 1xsc s ALA 118 Ca 0.02 -0.02 -0.09 0.00 0.00 0.00 0.00 51.96 51.87 1xsc s ALA 118 Cb 0.13 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.99 1xsc s ALA 118 CO 0.80 -1.10 0.37 1.52 0.00 0.00 0.00 175.76 177.35 1xsc s TYR 119 N -2.22 0.59 0.02 0.00 1.13 -1.26 0.71 117.35 116.33 1xsc s TYR 119 Ca 0.23 -0.91 -0.27 0.00 -1.41 0.00 0.00 57.07 54.71 1xsc s TYR 119 Cb -0.01 -0.04 0.07 0.00 -1.10 0.00 0.00 41.96 40.88 1xsc s TYR 119 CO 0.02 -0.88 0.62 1.03 -2.51 0.00 0.00 175.55 173.83 1xsc s ARG 120 N -4.06 1.11 -0.33 -3.49 0.52 0.38 -4.91 118.95 108.17 1xsc s ARG 120 Ca 0.27 -0.03 -0.02 0.00 -0.52 0.00 0.00 55.73 55.43 1xsc s ARG 120 Cb 0.02 0.52 0.07 0.00 0.52 0.00 0.00 34.95 36.07 1xsc s ARG 120 CO 0.09 -0.40 0.05 -1.58 0.02 0.00 0.00 175.30 173.49 1xsc s TRP 121 N -2.09 3.37 0.19 -0.53 0.52 -1.26 -0.84 118.94 118.30 1xsc s TRP 121 Ca -0.07 -2.05 0.00 0.00 0.02 0.00 0.00 56.10 54.00 1xsc s TRP 121 Cb -0.00 -2.42 -0.04 0.00 -1.15 0.00 0.00 33.47 29.85 1xsc s TRP 121 CO 0.02 -0.85 0.07 -0.51 0.02 0.00 0.00 176.95 175.70 1xsc s LEU 122 N 1.21 1.66 0.00 2.99 1.02 -0.91 -4.85 118.68 119.81 1xsc s LEU 122 Ca -0.01 -1.29 0.00 0.00 0.02 0.00 0.00 54.13 52.85 1xsc s LEU 122 Cb -0.20 0.16 0.00 0.00 0.02 0.00 0.00 46.19 46.16 1xsc s LEU 122 CO -0.02 -0.72 0.00 0.61 0.02 0.00 0.00 176.35 176.24 1xsc n GLY 123 N -0.27 -0.32 0.12 -3.19 0.00 -1.26 0.12 105.19 100.39 1xsc n GLY 123 Ca -0.02 -1.42 -0.17 0.00 0.00 0.00 0.00 46.02 44.40 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 0.41 -0.03 0.99 5.85 -1.91 -1.58 115.31 119.04 1xsc h LEU 124 Ca 0.00 -0.82 0.02 0.00 0.84 0.00 0.00 57.88 57.92 1xsc h LEU 124 Cb 0.00 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1xsc h LEU 124 CO 0.00 1.18 -0.10 1.05 -0.34 0.00 0.00 178.44 180.23 1xsc h GLU 125 N -0.31 -0.15 -0.11 1.25 4.11 -1.97 0.34 114.58 117.74 1xsc h GLU 125 Ca -0.07 0.01 -0.06 0.00 0.07 0.00 0.00 59.36 59.31 1xsc h GLU 125 Cb 1.29 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 1xsc h GLU 125 CO 0.10 -0.10 -0.16 0.93 0.07 0.00 0.00 179.01 179.85 1xsc h GLU 126 N -0.16 0.30 -0.47 1.06 3.07 -1.92 0.32 114.58 116.78 1xsc h GLU 126 Ca 0.05 -0.18 0.12 0.00 -0.50 0.00 0.00 59.36 58.86 1xsc h GLU 126 Cb 0.22 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 1xsc h GLU 126 CO -0.13 0.75 0.33 0.00 -1.40 0.00 0.00 179.01 178.56 1xsc h ALA 127 N 0.55 2.35 0.00 3.43 0.00 -1.16 0.23 119.26 124.66 1xsc h ALA 127 Ca 0.01 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 1xsc h ALA 127 Cb 0.72 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1xsc h ALA 127 CO 0.04 -0.48 -1.27 0.00 0.00 0.00 0.00 179.25 177.53 1xsc h GLN 129 N 0.00 0.80 0.05 0.00 -0.00 0.29 -3.18 115.11 113.06 1xsc h GLN 129 Ca -0.12 -0.25 -0.15 0.00 -0.00 0.00 0.00 58.65 58.13 1xsc h GLN 129 Cb 1.85 -0.07 0.01 0.00 -0.00 0.00 0.00 27.48 29.27 1xsc h GLN 129 CO 0.11 0.86 -0.60 -0.07 -0.00 0.00 0.00 178.83 179.12 1xsc h LEU 130 N 0.65 0.44 -4.69 0.06 3.38 -1.24 -3.31 115.31 110.60 1xsc h LEU 130 Ca 0.13 -0.85 -0.50 0.00 0.09 0.00 0.00 57.88 56.75 1xsc h LEU 130 Cb 0.50 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1xsc h LEU 130 CO 0.02 1.24 2.42 0.00 0.09 0.00 0.00 178.44 182.21 1xsc n ALA 131 N -2.61 7.06 -0.52 1.53 0.00 -0.85 -3.99 120.51 121.13 1xsc n ALA 131 Ca -0.12 -2.91 0.43 0.00 0.00 0.00 0.00 53.44 50.84 1xsc n ALA 131 Cb 0.70 -3.02 0.69 0.00 0.00 0.00 0.00 19.45 17.82 1xsc n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsc n GLN 132 N 3.24 -0.02 -1.68 0.00 10.64 -1.21 -3.76 117.38 124.59 1xsc n GLN 132 Ca 0.66 1.15 -0.43 0.00 -1.83 0.00 0.00 57.00 56.55 1xsc n GLN 132 Cb 0.45 -2.38 -0.03 0.00 -0.86 0.00 0.00 30.24 27.41 1xsc n GLN 132 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1xsc n PHE 133 N -4.39 2.54 -0.21 2.61 3.01 -1.26 -4.87 117.46 114.89 1xsc n PHE 133 Ca 0.40 -0.15 -0.06 0.00 1.01 0.00 0.00 57.45 58.65 1xsc n PHE 133 Cb 1.64 -2.73 -0.00 0.00 -0.01 0.00 0.00 39.48 38.38 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 8.87 -0.17 -0.57 -1.08 3.64 -1.97 -0.39 116.57 124.90 1xsc h LYS 134 Ca -0.47 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.00 1xsc h LYS 134 Cb 1.23 0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 32.99 1xsc h LYS 134 CO 0.94 -0.11 -0.49 1.05 -2.27 0.00 0.00 179.45 178.57 1xsc h GLU 135 N -0.18 -0.25 -0.68 1.90 -0.00 -1.90 0.32 114.58 113.80 1xsc h GLU 135 Ca 0.22 0.02 0.02 0.00 -0.00 0.00 0.00 59.36 59.62 1xsc h GLU 135 Cb 0.56 0.06 -0.04 0.00 -0.00 0.00 0.00 28.75 29.33 1xsc h GLU 135 CO -0.68 -0.17 0.45 0.52 -0.00 0.00 0.00 179.01 179.13 1xsc h MET 136 N -0.26 0.83 -0.66 1.06 2.86 -1.55 0.19 114.93 117.40 1xsc h MET 136 Ca 0.15 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.70 1xsc h MET 136 Cb 0.56 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 1xsc h MET 136 CO -0.69 0.55 0.27 0.87 1.06 0.00 0.00 176.91 178.97 1xsc h LYS 137 N 0.86 0.96 -0.17 1.72 6.56 0.86 -1.87 116.57 125.49 1xsc h LYS 137 Ca 0.26 -0.15 -0.07 0.00 -1.06 0.00 0.00 60.65 59.63 1xsc h LYS 137 Cb 0.00 -0.17 -0.00 0.00 -0.57 0.00 0.00 32.23 31.49 1xsc h LYS 137 CO -0.07 0.78 -0.17 0.00 -2.06 0.00 0.00 179.45 177.93 1xsc h ALA 138 N 1.35 0.25 -0.70 3.86 0.00 0.14 0.32 119.26 124.47 1xsc h ALA 138 Ca 0.22 -0.34 0.12 0.00 0.00 0.00 0.00 54.91 54.92 1xsc h ALA 138 Cb 0.17 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.82 1xsc h ALA 138 CO -0.02 0.16 0.27 0.00 0.00 0.00 0.00 179.25 179.65 1xsc h ALA 139 N 0.62 0.95 0.00 0.00 0.00 -0.35 0.31 119.26 120.79 1xsc h ALA 139 Ca 0.03 0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 1xsc h ALA 139 Cb 0.71 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1xsc h ALA 139 CO 0.04 -0.20 -0.88 -0.07 0.00 0.00 0.00 179.25 178.14 1xsc h LEU 140 N 0.43 0.00 0.15 0.00 3.38 -1.31 -2.70 115.31 115.26 1xsc h LEU 140 Ca 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.34 1xsc h LEU 140 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1xsc h LEU 140 CO -0.37 0.88 -0.07 1.56 0.09 0.00 0.00 178.44 180.52 1xsc h GLN 141 N 0.00 -0.19 -0.00 1.13 1.08 0.21 -2.88 115.11 114.46 1xsc h GLN 141 Ca -0.01 0.01 -0.11 0.00 -1.45 0.00 0.00 58.65 57.09 1xsc h GLN 141 Cb 1.59 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 29.05 1xsc h GLN 141 CO 0.11 -0.03 -0.52 0.93 -0.95 0.00 0.00 178.83 178.37 1xsc h GLU 142 N -0.32 0.00 -0.26 1.46 4.39 -0.61 -2.50 114.58 116.75 1xsc h GLU 142 Ca -0.02 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.74 1xsc h GLU 142 Cb 0.25 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.84 1xsc h GLU 142 CO 0.03 0.53 -0.16 0.78 -1.16 0.00 0.00 179.01 179.03 1xsc h GLY 143 N 1.57 0.02 2.00 -3.84 0.00 -1.26 0.42 103.07 101.98 1xsc h GLY 143 Ca -0.01 0.20 -0.17 0.00 0.00 0.00 0.00 47.33 47.36 1xsc h GLY 143 CO 0.07 -0.17 -0.80 0.84 0.00 0.00 0.00 176.54 176.48 1xsc h HIS 144 N -0.14 0.00 0.19 5.60 -0.00 -1.54 -2.94 115.15 116.31 1xsc h HIS 144 Ca 0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.50 1xsc h HIS 144 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.77 1xsc h HIS 144 CO -0.34 0.80 -0.09 0.37 -0.00 0.00 0.00 177.93 178.67 1xsc h GLN 145 N 0.00 -0.24 0.47 5.26 5.75 -0.88 -0.96 115.11 124.50 1xsc h GLN 145 Ca -0.01 0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.49 1xsc h GLN 145 Cb 1.48 0.06 0.00 0.00 1.07 0.00 0.00 27.48 30.09 1xsc h GLN 145 CO 0.10 0.03 -0.23 0.35 -2.65 0.00 0.00 178.83 176.44 1xsc h PHE 146 N -0.52 -0.58 -0.86 3.99 3.04 -0.29 -2.78 116.94 118.95 1xsc h PHE 146 Ca -0.03 -0.01 0.13 0.00 3.98 0.00 0.00 57.97 62.04 1xsc h PHE 146 Cb 0.39 0.19 -0.06 0.00 2.56 0.00 0.00 35.95 39.03 1xsc h PHE 146 CO 0.01 -0.35 0.55 -0.07 -2.02 0.00 0.00 178.31 176.44 1xsc h LEU 147 N -0.66 0.64 -0.66 0.59 3.38 -1.58 0.31 115.31 117.34 1xsc h LEU 147 Ca -0.06 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1xsc h LEU 147 Cb 0.50 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1xsc h LEU 147 CO 0.11 0.34 0.00 0.00 0.09 0.00 0.00 178.44 178.98 1xsc n SER 149 N -2.00 0.27 0.00 0.00 2.88 0.11 -4.91 113.62 109.97 1xsc n SER 149 Ca 0.01 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1xsc n SER 149 Cb 0.14 1.57 0.00 0.00 -0.75 0.00 0.00 64.21 65.17 1xsc n SER 149 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1xsc n ILE 150 N -2.23 0.00 0.10 2.46 5.41 -0.70 -5.08 119.36 119.32 1xsc n ILE 150 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1xsc n ILE 150 Cb 0.53 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.46 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 -5.02 120.64 116.87 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 -3.03 0.60 0.22 4.31 0.00 -1.26 -5.14 120.51 116.22 1xsc n ALA 152 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1xsc n ALA 152 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 1xsc n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78