#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsc h PRO 2 N 0.00 0.28 -4.91 1.61 0.13 -2.12 -3.49 132.00 123.51 1xsc h PRO 2 Ca 0.00 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1xsc h PRO 2 Cb 0.00 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.14 1xsc h PRO 2 CO 0.00 0.82 -1.01 -0.11 -0.23 0.00 0.00 178.00 177.47 1xsc n LEU 3 N -3.86 -7.16 -0.09 1.56 7.94 -1.26 -5.00 117.00 109.14 1xsc n LEU 3 Ca -0.03 1.46 -0.20 0.00 -1.11 0.00 0.00 56.01 56.13 1xsc n LEU 3 Cb 0.64 -3.13 -0.12 0.00 0.53 0.00 0.00 43.42 41.34 1xsc n LEU 3 CO 0.45 -3.08 -1.17 0.61 -1.11 0.00 0.00 177.39 173.10 1xsc n GLY 4 N 0.81 -0.44 3.59 -3.96 0.00 -1.26 -4.85 105.19 99.08 1xsc n GLY 4 Ca -0.07 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 1xsc n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xsc s SER 5 N -6.75 6.59 -0.27 1.61 1.04 -1.26 -4.95 113.70 109.70 1xsc s SER 5 Ca -0.31 0.37 -0.34 0.00 0.48 0.00 0.00 55.95 56.14 1xsc s SER 5 Cb 0.09 -2.53 0.17 0.00 0.10 0.00 0.00 66.02 63.85 1xsc s SER 5 CO 0.65 -1.22 1.34 -0.32 0.98 0.00 0.00 173.24 174.67 1xsc s MET 6 N 4.32 0.09 0.35 4.02 0.00 -1.26 -5.17 119.30 121.65 1xsc s MET 6 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 55.69 56.13 1xsc s MET 6 Cb -0.08 0.04 0.00 0.00 0.00 0.00 0.00 34.83 34.79 1xsc s MET 6 CO 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 175.02 175.29 1xsc n ALA 7 N 0.22 -2.63 -2.62 4.11 0.00 -1.26 -4.91 120.51 113.42 1xsc n ALA 7 Ca 0.02 0.51 -0.34 0.00 0.00 0.00 0.00 53.44 53.63 1xsc n ALA 7 Cb 0.58 -1.02 -0.12 0.00 0.00 0.00 0.00 19.45 18.89 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 -6.54 3.08 -0.40 0.00 1.02 0.46 -4.94 118.68 111.36 1xsc s LEU 8 Ca 0.00 -0.07 -0.26 0.00 0.02 0.00 0.00 54.13 53.82 1xsc s LEU 8 Cb 0.00 -1.67 0.02 0.00 0.02 0.00 0.00 46.19 44.56 1xsc s LEU 8 CO 0.00 0.33 0.93 -0.13 0.02 0.00 0.00 176.35 177.51 1xsc s ARG 9 N -0.64 3.74 0.37 1.70 0.52 -1.26 0.91 118.95 124.28 1xsc s ARG 9 Ca 0.10 0.45 0.05 0.00 -0.52 0.00 0.00 55.73 55.80 1xsc s ARG 9 Cb -0.11 -3.85 -0.07 0.00 0.52 0.00 0.00 34.95 31.44 1xsc s ARG 9 CO 0.02 -1.05 0.04 0.00 0.02 0.00 0.00 175.30 174.33 1xsc s ALA 10 N 3.60 2.77 -0.29 2.13 0.00 0.34 0.12 121.76 130.43 1xsc s ALA 10 Ca 0.38 -2.04 -0.14 0.00 0.00 0.00 0.00 51.96 50.16 1xsc s ALA 10 Cb -0.11 0.45 0.12 0.00 0.00 0.00 0.00 23.12 23.58 1xsc s ALA 10 CO 0.22 -0.23 0.77 0.00 0.00 0.00 0.00 175.76 176.52 1xsc s GLY 12 N 2.21 2.89 -0.12 0.00 0.00 0.25 -0.36 107.32 112.18 1xsc s GLY 12 Ca -0.07 -0.67 -0.01 0.00 0.00 0.00 0.00 44.72 43.97 1xsc s GLY 12 CO -0.18 -2.15 -0.04 -2.27 0.00 0.00 0.00 173.10 168.45 1xsc s LEU 13 N -3.92 1.15 -0.94 0.66 0.20 -1.25 -3.39 118.68 111.20 1xsc s LEU 13 Ca 0.12 -0.38 -0.23 0.00 0.69 0.00 0.00 54.13 54.34 1xsc s LEU 13 Cb 0.02 -0.75 0.07 0.00 -0.43 0.00 0.00 46.19 45.10 1xsc s LEU 13 CO 0.07 -0.17 1.32 -0.63 -0.29 0.00 0.00 176.35 176.65 1xsc s ILE 14 N 1.76 4.10 0.27 6.68 1.01 0.18 -4.46 121.20 130.75 1xsc s ILE 14 Ca 0.04 -0.76 -0.21 0.00 0.00 0.00 0.00 60.65 59.72 1xsc s ILE 14 Cb -0.13 -4.95 -0.09 0.00 0.01 0.00 0.00 42.46 37.30 1xsc s ILE 14 CO -0.07 -1.80 0.80 -0.63 0.00 0.00 0.00 174.94 173.24 1xsc s ILE 15 N 4.50 4.46 -0.19 2.92 1.01 -1.25 0.45 121.20 133.10 1xsc s ILE 15 Ca 0.40 1.43 -0.08 0.00 0.00 0.00 0.00 60.65 62.40 1xsc s ILE 15 Cb -0.03 -3.87 0.08 0.00 0.01 0.00 0.00 42.46 38.65 1xsc s ILE 15 CO -0.05 0.13 0.42 0.72 0.00 0.00 0.00 174.94 176.16 1xsc s PHE 16 N -1.62 -0.76 -0.41 3.97 -0.71 0.59 -1.26 117.98 117.78 1xsc s PHE 16 Ca 0.47 1.49 -0.29 0.00 -1.04 0.00 0.00 56.93 57.56 1xsc s PHE 16 Cb -0.16 0.30 0.02 0.00 -1.21 0.00 0.00 43.02 41.97 1xsc s PHE 16 CO 0.21 -0.45 1.08 0.50 -1.34 0.00 0.00 175.22 175.22 1xsc s ARG 17 N 2.32 3.86 -0.50 1.99 3.00 0.17 -3.60 118.95 126.20 1xsc s ARG 17 Ca -0.04 0.74 -0.18 0.00 -1.00 0.00 0.00 55.73 55.25 1xsc s ARG 17 Cb -0.11 -3.83 0.06 0.00 0.00 0.00 0.00 34.95 31.07 1xsc s ARG 17 CO -0.13 -1.15 0.57 0.50 0.00 0.00 0.00 175.30 175.09 1xsc s ARG 18 N 4.02 3.09 0.88 5.12 3.52 -1.26 -2.89 118.95 131.42 1xsc s ARG 18 Ca 0.45 -1.00 -0.10 0.00 -0.13 0.00 0.00 55.73 54.95 1xsc s ARG 18 Cb -0.10 -4.11 0.12 0.00 -1.56 0.00 0.00 34.95 29.31 1xsc s ARG 18 CO 0.24 -1.18 1.12 0.00 -0.81 0.00 0.00 175.30 174.67 1xsc n LEU 20 N -4.00 0.00 -4.47 0.00 4.77 -1.26 -4.87 117.00 107.17 1xsc n LEU 20 Ca 0.10 0.59 -0.25 0.00 -0.03 0.00 0.00 56.01 56.42 1xsc n LEU 20 Cb 0.53 -0.09 -0.11 0.00 -2.33 0.00 0.00 43.42 41.42 1xsc n LEU 20 CO 0.52 -0.09 -0.49 0.27 -1.33 0.00 0.00 177.39 176.26 1xsc s ILE 21 N -1.37 2.53 0.44 -0.08 -5.25 -1.26 -5.11 121.20 111.10 1xsc s ILE 21 Ca 0.00 -2.17 -0.24 0.00 -0.99 0.00 0.00 60.65 57.25 1xsc s ILE 21 Cb 0.00 -2.28 -0.09 0.00 2.95 0.00 0.00 42.46 43.04 1xsc s ILE 21 CO 0.00 -0.26 1.12 -2.65 -1.79 0.00 0.00 174.94 171.37 1xsc n PRO 22 N -0.20 1.55 0.00 0.37 -0.02 -1.26 -4.99 135.00 130.45 1xsc n PRO 22 Ca -0.09 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1xsc n PRO 22 Cb 0.58 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 -0.05 0.00 -0.20 -0.52 4.01 -1.26 -4.84 118.16 115.30 1xsc n LYS 23 Ca 0.09 0.00 0.10 0.00 -0.51 0.00 0.00 58.31 57.99 1xsc n LYS 23 Cb 0.40 0.00 0.20 0.00 -0.51 0.00 0.00 35.03 35.13 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 -1.13 0.63 -2.74 -0.18 0.31 -1.26 -4.95 118.33 109.00 1xsc n VAL 24 Ca 0.00 -0.81 -0.17 0.00 -0.01 0.00 0.00 64.34 63.35 1xsc n VAL 24 Cb 0.00 0.84 0.02 0.00 -0.91 0.00 0.00 33.84 33.79 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 1.24 -4.98 -0.08 4.52 8.00 -1.26 -4.92 116.55 119.07 1xsc n ASP 25 Ca 0.17 -0.18 -0.11 0.00 0.71 0.00 0.00 54.79 55.38 1xsc n ASP 25 Cb 0.54 -3.88 -0.04 0.00 -0.02 0.00 0.00 41.12 37.72 1xsc n ASP 25 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1xsc n ASN 26 N -1.40 1.79 -3.27 -2.24 5.15 -1.26 -5.00 115.26 109.03 1xsc n ASN 26 Ca -0.10 0.30 -0.05 0.00 -0.60 0.00 0.00 54.58 54.13 1xsc n ASN 26 Cb 0.60 -0.68 -0.05 0.00 -0.53 0.00 0.00 39.78 39.12 1xsc n ASN 26 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1xsc s ASN 27 N -6.13 -0.24 0.14 1.20 0.01 -1.26 -5.02 114.94 103.65 1xsc s ASN 27 Ca -0.26 0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.02 1xsc s ASN 27 Cb 0.05 1.42 -0.07 0.00 0.41 0.00 0.00 41.25 43.06 1xsc s ASN 27 CO 0.38 -0.31 1.33 0.00 -1.51 0.00 0.00 177.10 176.98 1xsc h ALA 28 N 8.12 0.43 -3.83 0.60 0.00 -1.94 -3.45 119.26 119.18 1xsc h ALA 28 Ca -0.14 -0.74 -0.68 0.00 0.00 0.00 0.00 54.91 53.35 1xsc h ALA 28 Cb 1.15 -0.05 -0.20 0.00 0.00 0.00 0.00 17.79 18.68 1xsc h ALA 28 CO 0.25 0.91 -0.78 0.42 0.00 0.00 0.00 179.25 180.05 1xsc s ILE 29 N -3.15 2.98 -0.04 0.00 1.01 -1.26 -3.04 121.20 117.70 1xsc s ILE 29 Ca -0.04 -1.20 0.01 0.00 0.00 0.00 0.00 60.65 59.42 1xsc s ILE 29 Cb 0.09 -2.30 0.02 0.00 0.01 0.00 0.00 42.46 40.29 1xsc s ILE 29 CO 0.84 0.28 -0.02 -1.61 0.00 0.00 0.00 174.94 174.43 1xsc s GLU 30 N -1.65 0.52 0.21 2.79 2.02 -1.14 -4.24 118.70 117.21 1xsc s GLU 30 Ca 0.16 -0.00 -0.09 0.00 0.02 0.00 0.00 54.97 55.07 1xsc s GLU 30 Cb -0.11 -0.63 -0.07 0.00 0.10 0.00 0.00 34.13 33.42 1xsc s GLU 30 CO 0.07 -0.11 0.52 -0.06 0.02 0.00 0.00 175.26 175.70 1xsc s PHE 31 N 0.98 3.43 0.03 1.61 0.08 0.33 0.46 117.98 124.90 1xsc s PHE 31 Ca -0.10 0.82 -0.25 0.00 0.12 0.00 0.00 56.93 57.52 1xsc s PHE 31 Cb -0.14 -2.22 -0.05 0.00 -0.57 0.00 0.00 43.02 40.05 1xsc s PHE 31 CO -0.01 0.30 0.76 -1.17 -0.10 0.00 0.00 175.22 175.00 1xsc s LEU 32 N -2.79 4.43 0.00 -0.37 2.96 -0.39 -2.69 118.68 119.83 1xsc s LEU 32 Ca 0.46 1.42 0.02 0.00 -0.22 0.00 0.00 54.13 55.81 1xsc s LEU 32 Cb -0.11 -3.22 -0.01 0.00 0.50 0.00 0.00 46.19 43.35 1xsc s LEU 32 CO 0.22 -0.01 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.41 1xsc s LEU 33 N 0.11 2.04 -0.17 -0.68 1.43 -1.09 -4.45 118.68 115.87 1xsc s LEU 33 Ca 0.39 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.33 1xsc s LEU 33 Cb -0.20 -0.32 0.01 0.00 0.03 0.00 0.00 46.19 45.71 1xsc s LEU 33 CO 0.22 0.05 -0.19 -0.76 0.23 0.00 0.00 176.35 175.91 1xsc s LEU 34 N -0.32 2.21 0.97 1.79 1.43 -1.14 -1.68 118.68 121.94 1xsc s LEU 34 Ca 0.01 -0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 52.40 1xsc s LEU 34 Cb -0.03 -1.50 0.18 0.00 0.03 0.00 0.00 46.19 44.86 1xsc s LEU 34 CO -0.00 0.02 1.11 -1.58 0.23 0.00 0.00 176.35 176.13 1xsc s GLN 35 N 1.17 0.60 0.02 1.70 0.74 0.18 -1.51 119.66 122.56 1xsc s GLN 35 Ca 0.02 1.33 0.24 0.00 0.05 0.00 0.00 55.36 57.00 1xsc s GLN 35 Cb -0.14 -1.70 0.40 0.00 1.10 0.00 0.00 33.01 32.68 1xsc s GLN 35 CO -0.09 -2.84 1.34 0.00 -0.55 0.00 0.00 175.29 173.15 1xsc n ALA 36 N -4.36 3.53 0.00 1.58 0.00 -0.47 -3.72 120.51 117.07 1xsc n ALA 36 Ca 0.09 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1xsc n ALA 36 Cb 0.53 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.61 0.00 -4.69 0.00 3.41 -1.20 -4.53 113.62 105.00 1xsc n SER 37 Ca 0.05 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.38 1xsc n SER 37 Cb 0.36 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.22 1xsc n SER 37 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xsc s ASP 38 N 0.00 4.12 1.13 4.04 -0.00 -1.26 -4.81 116.67 119.89 1xsc s ASP 38 Ca 0.00 -1.30 0.00 0.00 -0.00 0.00 0.00 52.55 51.25 1xsc s ASP 38 Cb 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 42.92 42.64 1xsc s ASP 38 CO 0.00 -0.56 0.00 0.61 -0.00 0.00 0.00 175.17 175.22 1xsc n GLY 39 N -1.13 1.50 0.31 0.21 0.00 -1.26 -2.88 105.19 101.93 1xsc n GLY 39 Ca -0.05 -0.52 0.14 0.00 0.00 0.00 0.00 46.02 45.58 1xsc n GLY 39 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1xsc n ILE 40 N 0.00 0.00 -2.76 -0.61 3.06 -1.26 -4.93 119.36 112.86 1xsc n ILE 40 Ca 0.00 -0.16 -0.21 0.00 -2.50 0.00 0.00 62.75 59.88 1xsc n ILE 40 Cb 0.00 0.33 0.02 0.00 0.54 0.00 0.00 39.64 40.53 1xsc n ILE 40 CO 0.00 0.00 0.00 1.41 -2.50 0.00 0.00 176.55 175.46 1xsc n HIS 41 N -0.37 -1.55 -1.86 9.51 8.25 -1.14 -4.92 115.22 123.14 1xsc n HIS 41 Ca 0.16 0.31 -0.41 0.00 -0.26 0.00 0.00 57.72 57.53 1xsc n HIS 41 Cb 0.33 -4.21 -0.00 0.00 1.12 0.00 0.00 29.99 27.22 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 -3.11 2.64 -0.27 4.41 -3.43 -1.26 -3.89 115.29 110.38 1xsc s HIS 42 Ca 0.18 1.23 -0.10 0.00 -0.80 0.00 0.00 55.06 55.57 1xsc s HIS 42 Cb -0.08 -3.95 -0.04 0.00 -1.43 0.00 0.00 32.58 27.08 1xsc s HIS 42 CO 0.22 -2.79 0.16 -1.58 -2.00 0.00 0.00 174.74 168.75 1xsc s TRP 43 N -1.14 3.18 0.00 0.38 0.52 -1.26 -1.37 118.94 119.25 1xsc s TRP 43 Ca 0.54 -0.04 0.00 0.00 0.02 0.00 0.00 56.10 56.62 1xsc s TRP 43 Cb -0.45 -2.35 -0.00 0.00 -1.15 0.00 0.00 33.47 29.52 1xsc s TRP 43 CO 0.60 -0.22 -0.01 0.95 0.02 0.00 0.00 176.95 178.29 1xsc s THR 44 N 1.72 0.06 1.09 2.01 -4.23 -0.57 -4.22 115.64 111.49 1xsc s THR 44 Ca 0.07 -0.17 -0.14 0.00 -1.18 0.00 0.00 61.69 60.27 1xsc s THR 44 Cb -0.16 -0.08 0.17 0.00 1.34 0.00 0.00 72.50 73.76 1xsc s THR 44 CO 0.09 -0.07 0.58 -2.65 -0.54 0.00 0.00 174.62 172.03 1xsc n PRO 45 N 2.83 -1.54 -1.74 3.99 -0.02 -1.26 -2.90 135.00 134.36 1xsc n PRO 45 Ca -0.14 -0.42 -0.19 0.00 -2.02 0.00 0.00 63.50 60.74 1xsc n PRO 45 Cb 0.59 -1.98 -0.09 0.00 -0.02 0.00 0.00 33.50 32.00 1xsc n PRO 45 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1xsc s PRO 46 N -3.97 1.64 0.42 0.52 0.02 -1.26 -4.84 135.00 127.53 1xsc s PRO 46 Ca 0.62 -0.44 -0.08 0.00 0.02 0.00 0.00 61.00 61.12 1xsc s PRO 46 Cb -0.20 -5.01 -0.05 0.00 0.02 0.00 0.00 34.50 29.25 1xsc s PRO 46 CO 0.65 -4.84 0.75 -1.59 -0.33 0.00 0.00 177.00 171.65 1xsc s LYS 47 N 7.97 3.70 0.31 5.54 -2.85 -1.26 -3.48 119.74 129.66 1xsc s LYS 47 Ca 0.79 0.35 0.04 0.00 -1.00 0.00 0.00 55.97 56.15 1xsc s LYS 47 Cb -0.05 -2.41 -0.01 0.00 -2.06 0.00 0.00 37.83 33.29 1xsc s LYS 47 CO 0.14 -0.06 0.33 0.41 0.10 0.00 0.00 175.35 176.27 1xsc n GLY 48 N -1.53 2.70 3.38 0.59 0.00 0.51 -4.88 105.19 105.95 1xsc n GLY 48 Ca 0.01 -1.77 -0.36 0.00 0.00 0.00 0.00 46.02 43.90 1xsc n GLY 48 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xsc s HIS 49 N -3.17 3.06 -0.07 1.61 2.46 -1.26 -0.51 115.29 117.41 1xsc s HIS 49 Ca 0.33 -0.72 -0.16 0.00 0.47 0.00 0.00 55.06 54.97 1xsc s HIS 49 Cb 0.01 -2.20 -0.05 0.00 -0.13 0.00 0.00 32.58 30.21 1xsc s HIS 49 CO 0.23 -0.47 0.42 0.54 -2.47 0.00 0.00 174.74 172.99 1xsc s VAL 50 N 1.54 5.12 0.22 0.89 0.11 0.32 -4.91 120.40 123.68 1xsc s VAL 50 Ca 0.05 0.85 -0.05 0.00 -2.93 0.00 0.00 61.98 59.90 1xsc s VAL 50 Cb -0.15 -3.74 -0.06 0.00 -1.53 0.00 0.00 36.38 30.90 1xsc s VAL 50 CO 0.01 0.46 0.48 -0.70 -3.33 0.00 0.00 175.10 172.01 1xsc s GLU 51 N -0.21 3.65 0.64 1.54 2.12 -1.26 -4.35 118.70 120.83 1xsc s GLU 51 Ca 0.24 -0.00 0.31 0.00 0.36 0.00 0.00 54.97 55.87 1xsc s GLU 51 Cb -0.16 -2.73 1.68 0.00 0.26 0.00 0.00 34.13 33.18 1xsc s GLU 51 CO 0.11 0.34 1.98 -1.00 -0.54 0.00 0.00 175.26 176.15 1xsc h PRO 52 N 2.29 0.00 0.00 4.30 0.13 -1.98 0.37 132.00 137.11 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 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1xsc h PRO 52 CO 0.69 0.00 -1.37 0.41 -0.23 0.00 0.00 178.00 177.50 1xsc n GLY 53 N -1.29 -1.03 3.91 1.56 0.00 -1.26 -4.96 105.19 102.11 1xsc n GLY 53 Ca 0.01 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.22 2.37 0.54 1.61 2.12 0.13 -5.08 118.70 117.17 1xsc s GLU 54 Ca 0.01 0.02 -0.06 0.00 0.36 0.00 0.00 54.97 55.30 1xsc s GLU 54 Cb 0.15 -2.10 -0.02 0.00 0.26 0.00 0.00 34.13 32.42 1xsc s GLU 54 CO 0.87 -1.22 0.87 0.34 -0.54 0.00 0.00 175.26 175.59 1xsc s ASP 55 N -4.47 6.02 -0.02 -1.70 2.15 -1.26 -4.72 116.67 112.66 1xsc s ASP 55 Ca 0.59 0.94 -0.10 0.00 0.43 0.00 0.00 52.55 54.41 1xsc s ASP 55 Cb -0.11 -2.10 -0.05 0.00 -0.30 0.00 0.00 42.92 40.36 1xsc s ASP 55 CO 0.47 -0.80 0.54 0.44 -0.17 0.00 0.00 175.17 175.65 1xsc h ASP 56 N -0.01 -0.29 -0.53 -0.34 3.32 -1.98 -3.08 116.42 113.51 1xsc h ASP 56 Ca -0.46 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.50 1xsc h ASP 56 Cb 1.22 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.83 1xsc h ASP 56 CO 0.61 -0.02 -0.07 0.25 -1.72 0.00 0.00 179.24 178.30 1xsc h LEU 57 N -0.72 1.00 -0.67 1.55 5.85 -1.98 -3.05 115.31 117.28 1xsc h LEU 57 Ca -0.04 -0.31 0.14 0.00 0.84 0.00 0.00 57.88 58.52 1xsc h LEU 57 Cb 0.26 -0.27 -0.10 0.00 0.37 0.00 0.00 40.66 40.92 1xsc h LEU 57 CO 0.06 1.09 0.11 -0.08 -0.34 0.00 0.00 178.44 179.27 1xsc h GLU 58 N 0.91 0.21 -0.29 1.25 4.81 -1.98 1.06 114.58 120.54 1xsc h GLU 58 Ca 0.15 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1xsc h GLU 58 Cb 0.62 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 1xsc h GLU 58 CO 0.04 0.14 0.15 1.15 -0.73 0.00 0.00 179.01 179.76 1xsc h THR 59 N 0.21 1.00 0.00 0.32 2.02 -1.44 0.79 112.91 115.82 1xsc h THR 59 Ca 0.37 -0.11 -0.06 0.00 0.77 0.00 0.00 66.41 67.38 1xsc h THR 59 Cb 0.60 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1xsc h THR 59 CO -0.50 0.06 -0.28 0.00 0.37 0.00 0.00 175.52 175.16 1xsc h ALA 60 N 1.14 1.52 0.14 6.16 0.00 -0.95 0.70 119.26 127.97 1xsc h ALA 60 Ca 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1xsc h ALA 60 Cb 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1xsc h ALA 60 CO -0.07 0.35 -0.07 -0.07 0.00 0.00 0.00 179.25 179.39 1xsc h LEU 61 N 0.00 -0.16 -1.34 0.00 3.38 0.25 -2.27 115.31 115.16 1xsc h LEU 61 Ca -0.00 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 1xsc h LEU 61 Cb 0.50 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1xsc h LEU 61 CO 0.04 0.39 -0.07 -0.09 0.09 0.00 0.00 178.44 178.80 1xsc h ARG 62 N -0.80 0.36 -0.11 1.13 2.43 0.63 -1.55 114.38 116.46 1xsc h ARG 62 Ca -0.02 -0.08 -0.09 0.00 -0.81 0.00 0.00 59.98 58.98 1xsc h ARG 62 Cb 0.54 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1xsc h ARG 62 CO 0.03 0.44 -0.35 0.00 -1.51 0.00 0.00 179.97 178.58 1xsc h ALA 63 N 1.59 1.21 0.12 2.80 0.00 -0.90 0.44 119.26 124.52 1xsc h ALA 63 Ca 0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1xsc h ALA 63 Cb 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1xsc h ALA 63 CO 0.02 0.54 -0.06 1.15 0.00 0.00 0.00 179.25 180.90 1xsc h THR 64 N 0.19 0.90 0.00 0.00 2.02 -0.66 0.30 112.91 115.66 1xsc h THR 64 Ca 0.02 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1xsc h THR 64 Cb 0.72 0.93 -0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1xsc h THR 64 CO 0.05 0.01 -0.05 0.06 0.37 0.00 0.00 175.52 175.97 1xsc h GLN 65 N -0.18 0.00 0.13 6.66 -0.00 -0.21 0.97 115.11 122.48 1xsc h GLN 65 Ca -0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.34 1xsc h GLN 65 Cb 0.14 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 27.64 1xsc h GLN 65 CO 0.03 0.05 -1.24 1.49 -0.00 0.00 0.00 178.83 179.15 1xsc h GLU 66 N 0.00 0.51 -0.01 0.06 4.22 -0.40 0.11 114.58 119.07 1xsc h GLU 66 Ca -0.00 -0.72 0.00 0.00 0.08 0.00 0.00 59.36 58.72 1xsc h GLU 66 Cb 0.81 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1xsc h GLU 66 CO 0.01 1.32 -0.03 0.39 -2.18 0.00 0.00 179.01 178.51 1xsc n GLU 67 N -3.72 0.82 0.00 1.92 1.02 0.10 -4.35 120.64 116.43 1xsc n GLU 67 Ca -0.12 -1.12 0.00 0.00 -0.02 0.00 0.00 57.16 55.90 1xsc n GLU 67 Cb 0.99 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 31.20 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 0.53 0.00 -0.48 0.62 0.00 0.33 -3.85 120.51 117.66 1xsc n ALA 68 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1xsc n ALA 68 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 1.45 3.67 0.00 0.00 0.39 0.14 105.19 110.85 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 -2.94 5.26 0.42 -0.61 1.01 -1.19 -4.68 121.20 118.46 1xsc s ILE 70 Ca 0.00 0.14 0.07 0.00 0.00 0.00 0.00 60.65 60.87 1xsc s ILE 70 Cb 0.00 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 1xsc s ILE 70 CO 0.00 0.39 0.30 -1.83 0.00 0.00 0.00 174.94 173.79 1xsc s GLU 71 N 0.78 2.39 0.35 2.79 -1.05 -1.26 0.02 118.70 122.72 1xsc s GLU 71 Ca 0.07 -1.69 0.15 0.00 -0.15 0.00 0.00 54.97 53.34 1xsc s GLU 71 Cb -0.13 -2.20 1.04 0.00 -0.44 0.00 0.00 34.13 32.40 1xsc s GLU 71 CO 0.02 -0.18 1.71 0.00 0.95 0.00 0.00 175.26 177.76 1xsc h ALA 72 N 1.18 2.01 0.00 -0.84 0.00 -1.88 1.23 119.26 120.96 1xsc h ALA 72 Ca -0.42 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1xsc h ALA 72 Cb 1.26 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1xsc h ALA 72 CO 0.63 -0.53 -0.08 0.78 0.00 0.00 0.00 179.25 180.05 1xsc h GLY 73 N 0.43 0.00 -1.38 0.00 0.00 -1.99 -1.86 103.07 98.27 1xsc h GLY 73 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.01 1xsc h GLY 73 CO -0.47 0.00 -0.18 -0.18 0.00 0.00 0.00 176.54 175.71 1xsc n GLN 74 N -3.39 1.82 -1.93 4.80 -0.06 0.41 -4.95 117.38 114.08 1xsc n GLN 74 Ca -0.01 -1.46 0.00 0.00 -2.00 0.00 0.00 57.00 53.53 1xsc n GLN 74 Cb 0.24 -1.47 0.00 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 0.68 0.00 -3.63 1.69 -0.00 -0.53 -1.69 117.00 113.53 1xsc n LEU 75 Ca 0.13 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.84 1xsc n LEU 75 Cb 0.52 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.79 1xsc n LEU 75 CO 0.20 0.00 -0.33 -0.89 -0.00 0.00 0.00 177.39 176.37 1xsc s THR 76 N -1.80 0.37 -0.05 1.47 2.01 0.28 -4.76 115.64 113.16 1xsc s THR 76 Ca 0.00 -1.08 -0.30 0.00 0.31 0.00 0.00 61.69 60.62 1xsc s THR 76 Cb 0.00 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.17 1xsc s THR 76 CO 0.00 -0.71 1.37 -0.63 -0.69 0.00 0.00 174.62 173.95 1xsc s ILE 77 N 1.85 3.91 0.10 1.82 -1.09 -1.26 -1.19 121.20 125.34 1xsc s ILE 77 Ca 0.10 1.23 -0.22 0.00 -2.23 0.00 0.00 60.65 59.52 1xsc s ILE 77 Cb -0.17 -3.79 -0.07 0.00 -1.58 0.00 0.00 42.46 36.85 1xsc s ILE 77 CO -0.31 -0.04 0.67 -0.63 -1.23 0.00 0.00 174.94 173.41 1xsc s ILE 78 N 2.77 4.60 0.11 2.92 1.09 0.43 -4.96 121.20 128.16 1xsc s ILE 78 Ca 0.62 1.44 -0.00 0.00 -1.10 0.00 0.00 60.65 61.61 1xsc s ILE 78 Cb -0.28 -4.01 -0.04 0.00 -1.06 0.00 0.00 42.46 37.06 1xsc s ILE 78 CO 0.24 0.52 0.28 -1.61 -0.10 0.00 0.00 174.94 174.27 1xsc s GLU 79 N -0.98 3.48 0.00 2.79 2.02 -1.26 -4.38 118.70 120.37 1xsc s GLU 79 Ca 0.32 -0.40 0.00 0.00 0.02 0.00 0.00 54.97 54.92 1xsc s GLU 79 Cb -0.21 -2.96 0.00 0.00 0.10 0.00 0.00 34.13 31.06 1xsc s GLU 79 CO 0.22 0.54 0.00 0.41 0.02 0.00 0.00 175.26 176.45 1xsc n GLY 80 N -0.06 3.13 3.47 -1.39 0.00 -1.26 -5.04 105.19 104.04 1xsc n GLY 80 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.86 3.03 -0.27 1.61 2.19 -1.26 -5.08 117.98 115.34 1xsc s PHE 81 Ca 0.00 -0.39 -0.14 0.00 0.33 0.00 0.00 56.93 56.73 1xsc s PHE 81 Cb 0.00 -2.02 0.09 0.00 -1.31 0.00 0.00 43.02 39.78 1xsc s PHE 81 CO 0.00 -0.14 0.65 0.21 1.83 0.00 0.00 175.22 177.77 1xsc s LYS 82 N 0.68 0.65 -0.16 10.12 2.20 -1.26 -4.68 119.74 127.29 1xsc s LYS 82 Ca -0.01 1.23 -0.18 0.00 -0.36 0.00 0.00 55.97 56.65 1xsc s LYS 82 Cb -0.14 0.27 0.05 0.00 -1.51 0.00 0.00 37.83 36.50 1xsc s LYS 82 CO 0.02 -0.16 0.49 0.50 -0.36 0.00 0.00 175.35 175.84 1xsc s ARG 83 N 1.89 0.62 -0.07 4.03 6.06 -1.25 -5.02 118.95 125.21 1xsc s ARG 83 Ca -0.09 0.58 0.05 0.00 -2.50 0.00 0.00 55.73 53.77 1xsc s ARG 83 Cb -0.07 0.30 -0.00 0.00 0.06 0.00 0.00 34.95 35.24 1xsc s ARG 83 CO -0.19 -0.10 -0.22 -1.83 -2.50 0.00 0.00 175.30 170.46 1xsc s GLU 84 N 0.03 2.55 -0.29 5.12 1.03 -1.25 -0.11 118.70 125.78 1xsc s GLU 84 Ca -0.02 -0.80 -0.16 0.00 0.03 0.00 0.00 54.97 54.02 1xsc s GLU 84 Cb -0.03 -2.04 -0.03 0.00 -0.80 0.00 0.00 34.13 31.23 1xsc s GLU 84 CO 0.02 0.24 0.44 -0.51 -1.33 0.00 0.00 175.26 174.11 1xsc s LEU 85 N 0.17 4.13 -0.20 1.83 1.43 0.29 -4.72 118.68 121.59 1xsc s LEU 85 Ca -0.11 0.26 -0.07 0.00 -1.03 0.00 0.00 54.13 53.18 1xsc s LEU 85 Cb -0.15 -2.51 -0.03 0.00 0.03 0.00 0.00 46.19 43.52 1xsc s LEU 85 CO 0.06 -0.28 0.05 0.20 0.23 0.00 0.00 176.35 176.61 1xsc s ASN 86 N 1.64 5.27 -0.26 2.29 -0.87 -1.26 -0.67 114.94 121.08 1xsc s ASN 86 Ca 0.17 -0.07 -0.26 0.00 -1.57 0.00 0.00 52.86 51.13 1xsc s ASN 86 Cb -0.16 -1.91 0.11 0.00 -0.02 0.00 0.00 41.25 39.27 1xsc s ASN 86 CO 0.10 0.09 0.97 -0.72 -2.57 0.00 0.00 177.10 174.97 1xsc s TYR 87 N 0.86 -0.52 -0.40 2.20 -0.85 -1.23 -4.95 117.35 112.46 1xsc s TYR 87 Ca 0.03 1.24 -0.28 0.00 -0.52 0.00 0.00 57.07 57.53 1xsc s TYR 87 Cb -0.14 0.36 0.02 0.00 0.38 0.00 0.00 41.96 42.58 1xsc s TYR 87 CO 0.02 -0.27 1.08 0.54 -1.52 0.00 0.00 175.55 175.40 1xsc s VAL 88 N 0.10 4.39 0.00 -3.49 0.11 -1.26 -1.19 120.40 119.06 1xsc s VAL 88 Ca 0.02 1.42 0.00 0.00 -2.93 0.00 0.00 61.98 60.49 1xsc s VAL 88 Cb -0.04 -4.48 0.00 0.00 -1.53 0.00 0.00 36.38 30.32 1xsc s VAL 88 CO -0.04 -0.72 0.00 0.00 -3.33 0.00 0.00 175.10 171.01 1xsc n ALA 89 N 7.27 0.00 -0.25 1.54 0.00 -0.77 -4.72 120.51 123.58 1xsc n ALA 89 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.49 1xsc n ALA 89 Cb 0.48 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.98 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 0.97 0.00 0.00 0.11 -2.04 -3.41 114.38 110.01 1xsc h ARG 90 Ca 0.00 -0.12 -0.01 0.00 0.10 0.00 0.00 59.98 59.95 1xsc h ARG 90 Cb 0.00 -0.19 -0.01 0.00 1.11 0.00 0.00 29.97 30.88 1xsc h ARG 90 CO 0.00 0.73 -0.03 -1.71 0.10 0.00 0.00 179.97 179.06 1xsc n ASN 91 N -4.50 -0.11 -3.67 0.08 4.05 -1.26 -5.14 115.26 104.71 1xsc n ASN 91 Ca 0.06 -0.28 -0.08 0.00 0.45 0.00 0.00 54.58 54.73 1xsc n ASN 91 Cb 0.09 0.03 -0.09 0.00 1.23 0.00 0.00 39.78 41.05 1xsc n ASN 91 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1xsc s LYS 92 N 0.00 0.52 -0.23 1.20 2.47 -1.26 -5.09 119.74 117.36 1xsc s LYS 92 Ca 0.00 1.04 -0.29 0.00 -1.56 0.00 0.00 55.97 55.15 1xsc s LYS 92 Cb 0.00 0.15 -0.02 0.00 -1.46 0.00 0.00 37.83 36.50 1xsc s LYS 92 CO 0.00 -0.17 1.47 -1.25 0.16 0.00 0.00 175.35 175.56 1xsc s PRO 93 N 1.74 3.92 -0.23 4.03 0.04 -1.26 -1.84 135.00 141.39 1xsc s PRO 93 Ca -0.09 1.56 -0.07 0.00 0.04 0.00 0.00 61.00 62.45 1xsc s PRO 93 Cb -0.08 -3.94 -0.03 0.00 0.04 0.00 0.00 34.50 30.49 1xsc s PRO 93 CO -0.16 -1.13 0.06 -1.59 0.04 0.00 0.00 177.00 174.23 1xsc s LYS 94 N 4.31 3.71 -0.22 4.56 -2.85 -0.34 0.17 119.74 129.08 1xsc s LYS 94 Ca 0.64 -0.46 -0.29 0.00 -1.00 0.00 0.00 55.97 54.86 1xsc s LYS 94 Cb -0.22 -3.28 0.01 0.00 -2.06 0.00 0.00 37.83 32.27 1xsc s LYS 94 CO 0.25 -0.09 1.06 0.99 0.10 0.00 0.00 175.35 177.67 1xsc s THR 95 N 1.34 4.64 -0.31 3.79 2.01 0.26 -3.48 115.64 123.89 1xsc s THR 95 Ca 0.05 1.98 -0.01 0.00 0.31 0.00 0.00 61.69 64.01 1xsc s THR 95 Cb -0.15 -4.28 0.06 0.00 0.01 0.00 0.00 72.50 68.14 1xsc s THR 95 CO 0.03 -0.17 0.01 -0.69 -0.69 0.00 0.00 174.62 173.12 1xsc s VAL 96 N 3.17 2.95 0.00 3.82 1.01 0.15 0.13 120.40 131.64 1xsc s VAL 96 Ca 0.45 -1.49 -0.23 0.00 0.00 0.00 0.00 61.98 60.71 1xsc s VAL 96 Cb -0.16 -2.75 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 1xsc s VAL 96 CO 0.08 -0.17 0.70 -0.63 0.00 0.00 0.00 175.10 175.07 1xsc s ILE 97 N 1.22 4.86 -0.11 2.22 -1.09 -1.17 0.10 121.20 127.23 1xsc s ILE 97 Ca -0.04 1.47 0.03 0.00 -2.23 0.00 0.00 60.65 59.88 1xsc s ILE 97 Cb -0.20 -4.04 -0.00 0.00 -1.58 0.00 0.00 42.46 36.63 1xsc s ILE 97 CO -0.02 0.35 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.53 1xsc s TYR 98 N 0.11 2.64 -0.04 3.97 1.51 0.84 0.84 117.35 127.22 1xsc s TYR 98 Ca 0.36 -0.93 0.06 0.00 -1.01 0.00 0.00 57.07 55.55 1xsc s TYR 98 Cb -0.19 -1.76 -0.02 0.00 -0.11 0.00 0.00 41.96 39.88 1xsc s TYR 98 CO 0.20 -0.36 -0.21 -1.58 -1.11 0.00 0.00 175.55 172.49 1xsc s TRP 99 N 0.36 2.50 -0.28 2.71 0.51 -1.22 -3.74 118.94 119.77 1xsc s TRP 99 Ca -0.16 -0.34 -0.29 0.00 -2.12 0.00 0.00 56.10 53.19 1xsc s TRP 99 Cb -0.17 -1.56 0.00 0.00 -0.81 0.00 0.00 33.47 30.92 1xsc s TRP 99 CO 0.08 0.04 1.25 -0.51 -0.51 0.00 0.00 176.95 177.30 1xsc s LEU 100 N -0.62 3.94 0.05 2.99 1.43 -1.26 0.50 118.68 125.72 1xsc s LEU 100 Ca 0.10 1.26 0.06 0.00 -1.03 0.00 0.00 54.13 54.52 1xsc s LEU 100 Cb -0.11 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 1xsc s LEU 100 CO -0.00 -0.98 -0.18 0.00 0.23 0.00 0.00 176.35 175.42 1xsc s ALA 101 N 4.08 1.53 -0.19 4.21 0.00 0.17 0.16 121.76 131.72 1xsc s ALA 101 Ca 0.54 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.50 1xsc s ALA 101 Cb -0.17 -0.26 0.03 0.00 0.00 0.00 0.00 23.12 22.73 1xsc s ALA 101 CO 0.20 0.31 -0.14 -2.00 0.00 0.00 0.00 175.76 174.14 1xsc s GLU 102 N -1.32 2.37 -0.12 0.00 -6.30 -0.33 0.22 118.70 113.21 1xsc s GLU 102 Ca 0.05 -0.82 -0.29 0.00 -2.50 0.00 0.00 54.97 51.40 1xsc s GLU 102 Cb -0.09 -2.43 -0.03 0.00 0.00 0.00 0.00 34.13 31.59 1xsc s GLU 102 CO 0.02 -0.34 1.36 0.14 0.02 0.00 0.00 175.26 176.46 1xsc s VAL 103 N 1.36 4.09 0.50 3.70 -7.23 -1.24 0.10 120.40 121.69 1xsc s VAL 103 Ca 0.01 1.33 0.18 0.00 -1.81 0.00 0.00 61.98 61.70 1xsc s VAL 103 Cb -0.15 -3.86 0.26 0.00 0.56 0.00 0.00 36.38 33.19 1xsc s VAL 103 CO -0.10 -0.10 2.12 0.07 -0.31 0.00 0.00 175.10 176.77 1xsc h LYS 104 N 8.43 0.00 -5.28 4.82 2.10 -1.63 -3.41 116.57 121.61 1xsc h LYS 104 Ca -0.30 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 57.74 1xsc h LYS 104 Cb 1.13 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 32.34 1xsc h LYS 104 CO 0.96 0.06 -0.43 0.34 -2.00 0.00 0.00 179.45 178.37 1xsc s ASP 105 N -6.86 6.25 0.06 7.07 3.68 -1.26 -4.97 116.67 120.64 1xsc s ASP 105 Ca -0.05 0.28 -0.16 0.00 2.13 0.00 0.00 52.55 54.75 1xsc s ASP 105 Cb 0.16 -2.13 -0.17 0.00 -1.45 0.00 0.00 42.92 39.33 1xsc s ASP 105 CO 0.65 0.11 1.25 0.22 0.13 0.00 0.00 175.17 177.53 1xsc h TYR 106 N 6.97 0.84 -0.33 -5.34 5.03 -1.99 -2.85 116.97 119.30 1xsc h TYR 106 Ca -0.40 -0.38 0.00 0.00 2.58 0.00 0.00 58.73 60.54 1xsc h TYR 106 Cb 1.16 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 39.31 1xsc h TYR 106 CO 0.62 1.18 0.00 -0.40 -1.32 0.00 0.00 178.16 178.24 1xsc n ASP 107 N -4.12 3.65 -4.51 -2.11 5.75 -1.26 -4.97 116.55 108.99 1xsc n ASP 107 Ca -0.08 -2.51 -0.43 0.00 -0.01 0.00 0.00 54.79 51.76 1xsc n ASP 107 Cb 0.66 -0.60 -0.00 0.00 -1.03 0.00 0.00 41.12 40.15 1xsc n ASP 107 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 1xsc n VAL 108 N 0.37 1.97 -2.08 2.12 3.14 -1.08 -4.88 118.33 117.89 1xsc n VAL 108 Ca 0.16 -0.50 -0.39 0.00 -2.96 0.00 0.00 64.34 60.64 1xsc n VAL 108 Cb 0.78 -0.70 -0.01 0.00 -1.06 0.00 0.00 33.84 32.85 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 -1.60 4.01 -0.40 1.45 1.03 -1.26 -5.00 118.70 116.92 1xsc s GLU 109 Ca 0.62 2.13 0.03 0.00 0.03 0.00 0.00 54.97 57.78 1xsc s GLU 109 Cb -0.65 -2.78 0.11 0.00 -0.80 0.00 0.00 34.13 30.02 1xsc s GLU 109 CO 0.58 -0.45 0.15 0.42 -1.33 0.00 0.00 175.26 174.64 1xsc s ILE 110 N -1.27 1.95 -0.57 1.83 -1.09 -1.23 -4.25 121.20 116.58 1xsc s ILE 110 Ca 0.56 -2.49 -0.19 0.00 -2.23 0.00 0.00 60.65 56.31 1xsc s ILE 110 Cb -0.37 -2.40 0.09 0.00 -1.58 0.00 0.00 42.46 38.20 1xsc s ILE 110 CO 0.48 -0.72 0.66 -0.13 -1.23 0.00 0.00 174.94 174.00 1xsc s ARG 111 N 0.60 3.05 0.18 2.79 0.52 0.12 -4.85 118.95 121.36 1xsc s ARG 111 Ca 0.14 -1.26 -0.04 0.00 -0.52 0.00 0.00 55.73 54.05 1xsc s ARG 111 Cb -0.22 -4.23 -0.05 0.00 0.52 0.00 0.00 34.95 30.97 1xsc s ARG 111 CO -0.07 -1.44 0.40 -0.51 0.02 0.00 0.00 175.30 173.70 1xsc s LEU 112 N 2.56 4.23 0.00 2.53 1.43 -1.25 -0.74 118.68 127.43 1xsc s LEU 112 Ca 0.11 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.77 1xsc s LEU 112 Cb -0.24 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 42.68 1xsc s LEU 112 CO 0.07 -0.01 0.00 -1.20 0.23 0.00 0.00 176.35 175.44 1xsc n SER 113 N -0.26 0.00 0.00 2.29 7.64 -1.26 -4.91 113.62 117.11 1xsc n SER 113 Ca -0.03 -0.90 0.05 0.00 1.01 0.00 0.00 58.87 59.00 1xsc n SER 113 Cb 0.53 0.00 0.32 0.00 -1.01 0.00 0.00 64.21 64.04 1xsc n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xsc n HIS 114 N -1.74 0.00 -0.09 1.43 1.44 -1.26 -3.11 115.22 111.88 1xsc n HIS 114 Ca 0.00 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.61 1xsc n HIS 114 Cb 0.00 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 29.98 1xsc n HIS 114 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1xsc n GLU 115 N -0.69 0.96 -3.38 -1.40 2.13 -1.26 -4.88 120.64 112.11 1xsc n GLU 115 Ca 0.08 0.02 -0.42 0.00 0.66 0.00 0.00 57.16 57.51 1xsc n GLU 115 Cb 0.04 -1.46 -0.09 0.00 0.27 0.00 0.00 31.44 30.19 1xsc n GLU 115 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1xsc s HIS 116 N -2.44 3.20 -0.27 4.31 3.76 -1.18 -3.27 115.29 119.40 1xsc s HIS 116 Ca -0.14 -0.16 0.27 0.00 -0.15 0.00 0.00 55.06 54.89 1xsc s HIS 116 Cb 0.06 -2.73 0.76 0.00 1.11 0.00 0.00 32.58 31.77 1xsc s HIS 116 CO 0.69 -0.52 1.76 0.37 -0.85 0.00 0.00 174.74 176.19 1xsc h GLN 117 N 8.55 0.00 0.00 1.40 5.75 -1.82 -3.42 115.11 125.58 1xsc h GLN 117 Ca -0.29 0.00 0.18 0.00 -0.15 0.00 0.00 58.65 58.40 1xsc h GLN 117 Cb 1.13 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.65 1xsc h GLN 117 CO 0.73 0.00 0.54 0.00 -2.65 0.00 0.00 178.83 177.45 1xsc n ALA 118 N -2.06 -2.27 -2.90 3.38 0.00 -1.26 -5.00 120.51 110.39 1xsc n ALA 118 Ca 0.03 -0.66 -0.10 0.00 0.00 0.00 0.00 53.44 52.72 1xsc n ALA 118 Cb 0.43 0.26 -0.06 0.00 0.00 0.00 0.00 19.45 20.09 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 -2.75 0.07 -0.12 0.00 1.13 -1.26 0.51 117.35 114.92 1xsc s TYR 119 Ca 0.19 -0.43 -0.14 0.00 -1.41 0.00 0.00 57.07 55.28 1xsc s TYR 119 Cb -0.01 0.13 0.04 0.00 -1.10 0.00 0.00 41.96 41.02 1xsc s TYR 119 CO 0.02 -0.73 0.38 1.03 -2.51 0.00 0.00 175.55 173.74 1xsc s ARG 120 N -3.88 0.49 -0.45 -3.49 0.52 -0.67 -4.97 118.95 106.50 1xsc s ARG 120 Ca 0.09 0.42 -0.16 0.00 -0.52 0.00 0.00 55.73 55.56 1xsc s ARG 120 Cb 0.02 0.23 0.05 0.00 0.52 0.00 0.00 34.95 35.77 1xsc s ARG 120 CO -0.06 -0.08 0.40 -1.58 0.02 0.00 0.00 175.30 174.00 1xsc s TRP 121 N -0.05 3.21 0.23 -0.53 0.52 -1.26 -2.65 118.94 118.41 1xsc s TRP 121 Ca -0.02 -0.68 0.01 0.00 0.02 0.00 0.00 56.10 55.43 1xsc s TRP 121 Cb -0.03 -2.97 -0.05 0.00 -1.15 0.00 0.00 33.47 29.27 1xsc s TRP 121 CO 0.01 -0.74 0.07 -0.51 0.02 0.00 0.00 176.95 175.81 1xsc s LEU 122 N 1.85 1.73 0.00 2.99 1.02 -1.10 -4.88 118.68 120.30 1xsc s LEU 122 Ca 0.07 -1.32 0.00 0.00 0.02 0.00 0.00 54.13 52.90 1xsc s LEU 122 Cb -0.21 0.03 0.00 0.00 0.02 0.00 0.00 46.19 46.04 1xsc s LEU 122 CO 0.10 -0.69 0.00 0.61 0.02 0.00 0.00 176.35 176.38 1xsc n GLY 123 N -0.38 -0.08 0.17 -3.19 0.00 -1.26 0.12 105.19 100.58 1xsc n GLY 123 Ca -0.02 -1.43 -0.21 0.00 0.00 0.00 0.00 46.02 44.36 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 0.82 0.11 0.99 5.85 -1.93 -1.87 115.31 119.29 1xsc h LEU 124 Ca 0.00 -0.79 -0.01 0.00 0.84 0.00 0.00 57.88 57.92 1xsc h LEU 124 Cb 0.00 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.78 1xsc h LEU 124 CO 0.00 1.52 -0.05 1.05 -0.34 0.00 0.00 178.44 180.61 1xsc h GLU 125 N 0.22 -0.15 -0.06 1.25 4.11 -1.97 0.34 114.58 118.32 1xsc h GLU 125 Ca -0.15 0.01 -0.16 0.00 0.07 0.00 0.00 59.36 59.13 1xsc h GLU 125 Cb 1.74 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.01 1xsc h GLU 125 CO 0.20 -0.05 -0.65 0.93 0.07 0.00 0.00 179.01 179.51 1xsc h GLU 126 N -0.20 0.25 0.00 1.06 3.07 -1.92 0.32 114.58 117.16 1xsc h GLU 126 Ca -0.02 -0.19 -0.10 0.00 -0.50 0.00 0.00 59.36 58.56 1xsc h GLU 126 Cb 0.16 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1xsc h GLU 126 CO 0.03 0.82 -0.48 0.00 -1.40 0.00 0.00 179.01 177.97 1xsc h ALA 127 N 1.14 1.18 0.03 3.43 0.00 -1.18 -1.94 119.26 121.91 1xsc h ALA 127 Ca -0.01 -0.44 -0.26 0.00 0.00 0.00 0.00 54.91 54.20 1xsc h ALA 127 Cb 1.18 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1xsc h ALA 127 CO 0.10 0.60 -1.36 0.00 0.00 0.00 0.00 179.25 178.59 1xsc h GLN 129 N 0.02 0.48 -0.06 0.00 -0.00 -0.10 -3.12 115.11 112.32 1xsc h GLN 129 Ca -0.16 -0.16 -0.12 0.00 -0.00 0.00 0.00 58.65 58.21 1xsc h GLN 129 Cb 1.91 -0.04 0.01 0.00 -0.00 0.00 0.00 27.48 29.36 1xsc h GLN 129 CO 0.12 0.66 -0.44 -0.07 -0.00 0.00 0.00 178.83 179.10 1xsc h LEU 130 N 0.25 0.49 -4.21 0.06 3.38 -1.49 -3.26 115.31 110.53 1xsc h LEU 130 Ca 0.07 -0.68 -0.28 0.00 0.09 0.00 0.00 57.88 57.08 1xsc h LEU 130 Cb 0.46 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 1xsc h LEU 130 CO 0.02 1.10 0.46 0.00 0.09 0.00 0.00 178.44 180.10 1xsc n ALA 131 N -2.54 6.53 -0.52 1.53 0.00 -0.89 -3.99 120.51 120.62 1xsc n ALA 131 Ca -0.09 -2.13 0.43 0.00 0.00 0.00 0.00 53.44 51.65 1xsc n ALA 131 Cb 0.57 -2.53 0.66 0.00 0.00 0.00 0.00 19.45 18.16 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 2.73 0.00 -1.64 0.00 10.64 -1.18 -3.83 117.38 124.10 1xsc n GLN 132 Ca 0.49 1.02 -0.44 0.00 -1.83 0.00 0.00 57.00 56.24 1xsc n GLN 132 Cb 0.77 -2.42 -0.04 0.00 -0.86 0.00 0.00 30.24 27.70 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 -3.61 2.30 -0.29 2.61 3.01 -1.26 -4.85 117.46 115.38 1xsc n PHE 133 Ca 0.36 -0.19 0.11 0.00 1.01 0.00 0.00 57.45 58.74 1xsc n PHE 133 Cb 1.79 -2.74 0.26 0.00 -0.01 0.00 0.00 39.48 38.78 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 11.27 0.20 -0.10 -1.08 3.64 -1.97 -1.03 116.57 127.51 1xsc h LYS 134 Ca -0.46 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 58.94 1xsc h LYS 134 Cb 1.25 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.98 1xsc h LYS 134 CO 0.95 0.13 -0.23 0.93 -2.27 0.00 0.00 179.45 178.97 1xsc h GLU 135 N 0.21 -0.30 -0.03 1.90 3.07 -1.90 -1.49 114.58 116.05 1xsc h GLU 135 Ca 0.52 0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.40 1xsc h GLU 135 Cb 1.02 0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.99 1xsc h GLU 135 CO -0.64 -0.20 0.02 0.52 -1.40 0.00 0.00 179.01 177.31 1xsc h MET 136 N -0.31 0.04 -1.01 2.33 2.86 -1.49 -0.08 114.93 117.28 1xsc h MET 136 Ca 0.09 -0.01 0.25 0.00 -2.06 0.00 0.00 59.70 57.97 1xsc h MET 136 Cb 0.44 -0.01 -0.12 0.00 0.06 0.00 0.00 31.60 31.97 1xsc h MET 136 CO -0.27 0.13 0.60 0.87 1.06 0.00 0.00 176.91 179.30 1xsc h LYS 137 N -0.05 0.55 -0.09 1.72 1.57 -1.07 0.41 116.57 119.61 1xsc h LYS 137 Ca 0.01 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1xsc h LYS 137 Cb 0.10 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1xsc h LYS 137 CO -0.00 0.37 -0.22 0.00 -0.57 0.00 0.00 179.45 179.03 1xsc h ALA 138 N 1.72 0.15 -0.91 3.86 0.00 -0.84 0.34 119.26 123.58 1xsc h ALA 138 Ca 0.64 -0.38 0.13 0.00 0.00 0.00 0.00 54.91 55.29 1xsc h ALA 138 Cb 1.24 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.93 1xsc h ALA 138 CO -0.45 0.11 0.53 0.00 0.00 0.00 0.00 179.25 179.43 1xsc h ALA 139 N 0.49 1.36 0.00 0.00 0.00 0.12 0.26 119.26 121.49 1xsc h ALA 139 Ca -0.00 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1xsc h ALA 139 Cb 0.82 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1xsc h ALA 139 CO 0.05 0.07 -0.77 -0.07 0.00 0.00 0.00 179.25 178.52 1xsc h LEU 140 N 0.80 0.00 0.17 0.00 3.38 -0.31 -2.48 115.31 116.88 1xsc h LEU 140 Ca 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.43 1xsc h LEU 140 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1xsc h LEU 140 CO -0.30 0.77 -0.08 1.56 0.09 0.00 0.00 178.44 180.48 1xsc h GLN 141 N 0.00 -0.22 0.00 1.13 1.08 0.24 -2.69 115.11 114.64 1xsc h GLN 141 Ca -0.01 0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 57.13 1xsc h GLN 141 Cb 1.57 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 29.04 1xsc h GLN 141 CO 0.10 0.11 -0.38 0.93 -0.95 0.00 0.00 178.83 178.64 1xsc h GLU 142 N -0.58 0.00 -0.60 1.46 3.07 -0.75 -1.27 114.58 115.91 1xsc h GLU 142 Ca -0.02 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.82 1xsc h GLU 142 Cb 0.44 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.32 1xsc h GLU 142 CO 0.04 0.38 0.31 0.78 -1.40 0.00 0.00 179.01 179.11 1xsc h GLY 143 N 2.37 0.92 1.86 -3.84 0.00 -1.40 0.37 103.07 103.35 1xsc h GLY 143 Ca -0.00 -0.44 -0.23 0.00 0.00 0.00 0.00 47.33 46.65 1xsc h GLY 143 CO 0.05 0.42 -1.08 0.84 0.00 0.00 0.00 176.54 176.77 1xsc h HIS 144 N 0.82 0.19 0.07 5.60 -0.00 -1.40 -2.80 115.15 117.63 1xsc h HIS 144 Ca 0.21 -0.14 -0.00 0.00 -0.00 0.00 0.00 60.37 60.44 1xsc h HIS 144 Cb 0.09 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.49 1xsc h HIS 144 CO -0.00 1.10 -0.03 0.37 -0.00 0.00 0.00 177.93 179.36 1xsc h GLN 145 N 0.03 -0.08 0.04 5.26 5.75 -0.86 -1.89 115.11 123.35 1xsc h GLN 145 Ca -0.06 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1xsc h GLN 145 Cb 1.83 0.02 0.00 0.00 1.07 0.00 0.00 27.48 30.39 1xsc h GLN 145 CO 0.16 0.20 -0.02 0.35 -2.65 0.00 0.00 178.83 176.86 1xsc h PHE 146 N -0.36 -0.05 -0.47 3.99 3.04 -0.38 -2.73 116.94 119.97 1xsc h PHE 146 Ca -0.01 -0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.06 1xsc h PHE 146 Cb 0.32 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.83 1xsc h PHE 146 CO 0.02 0.12 0.33 -0.07 -2.02 0.00 0.00 178.31 176.69 1xsc h LEU 147 N -0.22 0.06 -0.80 0.59 3.38 -1.53 0.33 115.31 117.13 1xsc h LEU 147 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xsc h LEU 147 Cb 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1xsc h LEU 147 CO 0.01 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.57 1xsc n SER 149 N -2.91 0.64 0.00 0.00 2.88 0.11 -4.86 113.62 109.49 1xsc n SER 149 Ca 0.02 -0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.12 1xsc n SER 149 Cb 0.37 0.42 0.00 0.00 -0.75 0.00 0.00 64.21 64.26 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 -1.47 0.00 0.02 2.46 5.41 -1.00 -5.10 119.36 119.67 1xsc n ILE 150 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1xsc n ILE 150 Cb 0.33 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.26 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 4.07 -1.26 -5.10 120.64 118.73 1xsc n GLU 151 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1xsc n GLU 151 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1xsc n GLU 151 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1xsc n ALA 152 N -2.09 0.00 1.82 4.31 0.00 -1.26 -5.14 120.51 118.14 1xsc n ALA 152 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1xsc n ALA 152 Cb 0.00 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.24 1xsc n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78