#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 1.78 -2.47 1.61 -0.04 -1.26 -4.89 135.00 129.72 1xsc n PRO 2 Ca 0.00 -1.09 -0.43 0.00 -0.04 0.00 0.00 63.50 61.94 1xsc n PRO 2 Cb 0.00 -2.16 -0.02 0.00 -0.04 0.00 0.00 33.50 31.28 1xsc n PRO 2 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1xsc s LEU 3 N 0.05 4.19 0.00 1.53 2.34 -1.26 -4.73 118.68 120.81 1xsc s LEU 3 Ca 0.43 1.67 0.00 0.00 0.06 0.00 0.00 54.13 56.29 1xsc s LEU 3 Cb 0.15 -3.54 0.00 0.00 -0.56 0.00 0.00 46.19 42.24 1xsc s LEU 3 CO -0.02 -0.70 0.00 0.61 -1.06 0.00 0.00 176.35 175.18 1xsc n GLY 4 N 3.50 2.75 2.71 -3.48 0.00 -1.26 -5.17 105.19 104.24 1xsc n GLY 4 Ca 0.13 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 46.08 1xsc n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xsc n SER 5 N 0.00 -6.99 -4.72 1.61 7.64 -1.26 -4.71 113.62 105.18 1xsc n SER 5 Ca 0.00 1.03 -0.42 0.00 1.01 0.00 0.00 58.87 60.49 1xsc n SER 5 Cb 0.00 -2.90 -0.03 0.00 -1.01 0.00 0.00 64.21 60.27 1xsc n SER 5 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1xsc s MET 6 N -1.56 4.45 0.45 1.43 1.75 -1.26 -4.81 119.30 119.75 1xsc s MET 6 Ca 0.00 1.81 0.00 0.00 -1.25 0.00 0.00 55.69 56.25 1xsc s MET 6 Cb 0.00 -3.31 0.00 0.00 2.84 0.00 0.00 34.83 34.36 1xsc s MET 6 CO 0.00 -0.20 0.00 0.00 -0.65 0.00 0.00 175.02 174.17 1xsc n ALA 7 N 3.47 -3.35 -2.67 4.11 0.00 -1.26 -4.88 120.51 115.93 1xsc n ALA 7 Ca 0.07 0.65 -0.35 0.00 0.00 0.00 0.00 53.44 53.82 1xsc n ALA 7 Cb 0.46 -1.30 -0.10 0.00 0.00 0.00 0.00 19.45 18.51 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 -6.99 3.49 -0.28 0.00 1.02 0.36 -4.75 118.68 111.54 1xsc s LEU 8 Ca 0.00 0.11 -0.26 0.00 0.02 0.00 0.00 54.13 54.00 1xsc s LEU 8 Cb 0.00 -1.79 0.01 0.00 0.02 0.00 0.00 46.19 44.42 1xsc s LEU 8 CO 0.00 0.37 0.92 -0.60 0.02 0.00 0.00 176.35 177.06 1xsc s ARG 9 N -0.85 4.10 0.25 1.70 3.52 -1.26 0.61 118.95 127.01 1xsc s ARG 9 Ca 0.13 0.93 0.04 0.00 -0.13 0.00 0.00 55.73 56.70 1xsc s ARG 9 Cb -0.11 -3.69 -0.05 0.00 -1.56 0.00 0.00 34.95 29.53 1xsc s ARG 9 CO 0.02 -0.69 -0.01 0.00 -0.81 0.00 0.00 175.30 173.81 1xsc s ALA 10 N 3.15 1.96 -0.26 6.12 0.00 0.29 -1.60 121.76 131.41 1xsc s ALA 10 Ca 0.38 -1.81 -0.11 0.00 0.00 0.00 0.00 51.96 50.42 1xsc s ALA 10 Cb -0.14 0.44 0.10 0.00 0.00 0.00 0.00 23.12 23.52 1xsc s ALA 10 CO 0.11 -0.22 0.60 0.00 0.00 0.00 0.00 175.76 176.25 1xsc s GLY 12 N 2.33 2.62 -0.16 0.00 0.00 0.34 0.30 107.32 112.75 1xsc s GLY 12 Ca -0.07 -1.66 0.00 0.00 0.00 0.00 0.00 44.72 43.00 1xsc s GLY 12 CO -0.18 -2.08 -0.11 1.08 0.00 0.00 0.00 173.10 171.81 1xsc s LEU 13 N -3.83 1.77 -0.94 0.66 1.43 -1.11 -2.80 118.68 113.85 1xsc s LEU 13 Ca 0.28 -0.60 -0.21 0.00 -1.03 0.00 0.00 54.13 52.56 1xsc s LEU 13 Cb 0.06 -1.11 0.09 0.00 0.03 0.00 0.00 46.19 45.26 1xsc s LEU 13 CO 0.15 -0.11 1.25 -0.63 0.23 0.00 0.00 176.35 177.24 1xsc s ILE 14 N 1.51 4.34 0.24 -0.59 1.01 0.39 -4.22 121.20 123.90 1xsc s ILE 14 Ca 0.03 -1.10 -0.30 0.00 0.00 0.00 0.00 60.65 59.27 1xsc s ILE 14 Cb -0.14 -4.89 -0.09 0.00 0.01 0.00 0.00 42.46 37.35 1xsc s ILE 14 CO -0.09 -1.69 0.97 -0.63 0.00 0.00 0.00 174.94 173.49 1xsc s ILE 15 N 3.79 3.99 -0.09 2.92 1.01 -1.26 -0.50 121.20 131.07 1xsc s ILE 15 Ca 0.37 2.00 -0.04 0.00 0.00 0.00 0.00 60.65 62.99 1xsc s ILE 15 Cb -0.04 -4.27 0.05 0.00 0.01 0.00 0.00 42.46 38.21 1xsc s ILE 15 CO -0.08 0.47 0.18 0.72 0.00 0.00 0.00 174.94 176.24 1xsc s PHE 16 N -1.15 -0.23 -0.28 3.97 -0.12 0.89 -1.53 117.98 119.54 1xsc s PHE 16 Ca 0.42 0.67 -0.23 0.00 -0.05 0.00 0.00 56.93 57.74 1xsc s PHE 16 Cb -0.27 -0.20 -0.01 0.00 -0.63 0.00 0.00 43.02 41.92 1xsc s PHE 16 CO 0.33 -0.28 0.74 0.50 -0.05 0.00 0.00 175.22 176.47 1xsc s ARG 17 N 2.19 4.05 -0.38 1.99 3.00 0.26 -3.66 118.95 126.40 1xsc s ARG 17 Ca 0.01 0.64 -0.20 0.00 -1.00 0.00 0.00 55.73 55.18 1xsc s ARG 17 Cb -0.12 -3.69 0.01 0.00 0.00 0.00 0.00 34.95 31.15 1xsc s ARG 17 CO -0.06 -0.56 0.59 0.50 0.00 0.00 0.00 175.30 175.76 1xsc s ARG 18 N 2.78 3.53 0.68 5.12 3.52 -1.26 -2.68 118.95 130.64 1xsc s ARG 18 Ca 0.31 -0.16 -0.11 0.00 -0.13 0.00 0.00 55.73 55.64 1xsc s ARG 18 Cb -0.15 -3.85 -0.00 0.00 -1.56 0.00 0.00 34.95 29.39 1xsc s ARG 18 CO 0.10 -0.78 1.05 0.00 -0.81 0.00 0.00 175.30 174.87 1xsc n LEU 20 N -3.03 0.00 -4.74 0.00 -0.00 -1.26 -4.90 117.00 103.07 1xsc n LEU 20 Ca 0.07 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.81 1xsc n LEU 20 Cb 0.54 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.89 1xsc n LEU 20 CO 0.56 0.00 -0.27 0.27 -0.00 0.00 0.00 177.39 177.95 1xsc s ILE 21 N 0.00 4.18 0.68 1.47 -5.25 -1.26 -5.09 121.20 115.93 1xsc s ILE 21 Ca 0.00 -1.14 -0.15 0.00 -0.99 0.00 0.00 60.65 58.36 1xsc s ILE 21 Cb 0.00 -3.09 0.01 0.00 2.95 0.00 0.00 42.46 42.33 1xsc s ILE 21 CO 0.00 -0.05 1.15 -2.84 -1.79 0.00 0.00 174.94 171.41 1xsc s PRO 22 N -2.87 2.58 0.00 0.37 0.02 -1.26 -5.01 135.00 128.83 1xsc s PRO 22 Ca 0.29 1.56 0.00 0.00 0.02 0.00 0.00 61.00 62.87 1xsc s PRO 22 Cb -0.10 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.51 1xsc s PRO 22 CO 0.21 -1.45 0.00 1.63 -0.33 0.00 0.00 177.00 177.06 1xsc n LYS 23 N -2.43 0.00 0.00 5.54 4.01 -1.26 -4.90 118.16 119.12 1xsc n LYS 23 Ca 0.12 0.00 0.13 0.00 -0.51 0.00 0.00 58.31 58.05 1xsc n LYS 23 Cb 0.51 0.00 0.45 0.00 -0.51 0.00 0.00 35.03 35.48 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 -0.73 0.00 -3.19 -0.18 0.31 -1.26 -4.95 118.33 108.34 1xsc n VAL 24 Ca 0.00 -0.05 -0.15 0.00 -0.01 0.00 0.00 64.34 64.13 1xsc n VAL 24 Cb 0.00 0.07 0.07 0.00 -0.91 0.00 0.00 33.84 33.07 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 -1.11 -2.89 -0.08 4.52 -0.08 -1.26 -4.96 116.55 110.69 1xsc n ASP 25 Ca 0.10 -0.47 -0.14 0.00 -1.51 0.00 0.00 54.79 52.77 1xsc n ASP 25 Cb 0.32 -4.13 -0.05 0.00 2.34 0.00 0.00 41.12 39.60 1xsc n ASP 25 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1xsc n ASN 26 N -2.52 1.57 -3.19 1.67 0.23 -1.26 -5.00 115.26 106.76 1xsc n ASN 26 Ca -0.17 0.26 0.01 0.00 -0.53 0.00 0.00 54.58 54.16 1xsc n ASN 26 Cb 0.61 -0.61 -0.01 0.00 -2.08 0.00 0.00 39.78 37.69 1xsc n ASN 26 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1xsc s ASN 27 N -6.36 -1.38 0.10 0.53 0.01 -1.26 -5.03 114.94 101.56 1xsc s ASN 27 Ca -0.24 -0.28 -0.15 0.00 -0.71 0.00 0.00 52.86 51.47 1xsc s ASN 27 Cb 0.07 1.90 -0.07 0.00 0.41 0.00 0.00 41.25 43.56 1xsc s ASN 27 CO 0.33 -0.25 1.46 0.00 -1.51 0.00 0.00 177.10 177.13 1xsc h ALA 28 N 7.59 0.45 -3.63 0.60 0.00 -1.94 -3.44 119.26 118.88 1xsc h ALA 28 Ca 0.01 -0.35 -0.68 0.00 0.00 0.00 0.00 54.91 53.89 1xsc h ALA 28 Cb 1.18 -0.11 -0.18 0.00 0.00 0.00 0.00 17.79 18.68 1xsc h ALA 28 CO 0.14 0.38 -0.70 0.42 0.00 0.00 0.00 179.25 179.49 1xsc s ILE 29 N -4.55 3.64 -0.02 0.00 1.01 -1.26 -3.04 121.20 116.98 1xsc s ILE 29 Ca -0.13 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 59.85 1xsc s ILE 29 Cb 0.09 -2.56 -0.00 0.00 0.01 0.00 0.00 42.46 40.00 1xsc s ILE 29 CO 0.81 0.44 -0.11 -1.61 0.00 0.00 0.00 174.94 174.48 1xsc s GLU 30 N -1.26 1.00 0.10 2.79 8.01 -1.09 -4.33 118.70 123.92 1xsc s GLU 30 Ca 0.16 -0.38 0.02 0.00 0.01 0.00 0.00 54.97 54.78 1xsc s GLU 30 Cb -0.11 -0.94 -0.04 0.00 -4.31 0.00 0.00 34.13 28.73 1xsc s GLU 30 CO 0.06 0.19 0.21 -0.06 0.01 0.00 0.00 175.26 175.67 1xsc s PHE 31 N -0.06 3.42 0.09 1.61 0.08 0.40 0.89 117.98 124.41 1xsc s PHE 31 Ca 0.01 0.15 -0.22 0.00 0.12 0.00 0.00 56.93 56.99 1xsc s PHE 31 Cb -0.07 -1.68 -0.07 0.00 -0.57 0.00 0.00 43.02 40.64 1xsc s PHE 31 CO 0.00 0.55 0.67 -1.17 -0.10 0.00 0.00 175.22 175.17 1xsc s LEU 32 N -2.81 4.53 -0.00 -0.37 2.96 -0.58 -2.40 118.68 120.00 1xsc s LEU 32 Ca 0.34 1.41 0.01 0.00 -0.22 0.00 0.00 54.13 55.67 1xsc s LEU 32 Cb -0.12 -3.09 -0.00 0.00 0.50 0.00 0.00 46.19 43.48 1xsc s LEU 32 CO 0.27 0.19 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.70 1xsc s LEU 33 N -0.84 1.98 -0.27 -0.68 1.43 -0.34 -4.55 118.68 115.40 1xsc s LEU 33 Ca 0.33 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 1xsc s LEU 33 Cb -0.21 -0.15 0.06 0.00 0.03 0.00 0.00 46.19 45.92 1xsc s LEU 33 CO 0.22 0.03 -0.08 -0.76 0.23 0.00 0.00 176.35 175.99 1xsc s LEU 34 N -0.04 3.61 0.37 1.79 1.43 -0.33 -0.57 118.68 124.94 1xsc s LEU 34 Ca 0.01 -1.43 -0.28 0.00 -1.03 0.00 0.00 54.13 51.40 1xsc s LEU 34 Cb -0.02 -1.58 -0.10 0.00 0.03 0.00 0.00 46.19 44.53 1xsc s LEU 34 CO -0.00 -0.21 1.35 -1.58 0.23 0.00 0.00 176.35 176.14 1xsc s GLN 35 N 1.11 4.17 0.33 1.70 0.74 0.30 -2.09 119.66 125.92 1xsc s GLN 35 Ca -0.07 2.30 -0.29 0.00 0.05 0.00 0.00 55.36 57.35 1xsc s GLN 35 Cb -0.20 -2.95 -0.10 0.00 1.10 0.00 0.00 33.01 30.86 1xsc s GLN 35 CO -0.05 -0.38 1.37 0.00 -0.55 0.00 0.00 175.29 175.69 1xsc s ALA 36 N -1.17 3.54 -1.94 1.58 0.00 0.19 -3.26 121.76 120.69 1xsc s ALA 36 Ca 0.52 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.83 1xsc s ALA 36 Cb -0.41 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.19 1xsc s ALA 36 CO 0.55 -0.76 0.91 -1.13 0.00 0.00 0.00 175.76 175.33 1xsc n SER 37 N 0.97 0.05 -0.26 0.00 3.41 -0.63 -4.58 113.62 112.58 1xsc n SER 37 Ca 0.01 -1.87 0.00 0.00 -0.26 0.00 0.00 58.87 56.75 1xsc n SER 37 Cb 0.41 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 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 -0.47 0.00 0.00 4.04 2.03 -1.26 -4.92 116.55 115.97 1xsc n ASP 38 Ca 0.00 -0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.05 1xsc n ASP 38 Cb 0.01 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 1xsc n ASP 38 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xsc n GLY 39 N 0.00 3.23 1.24 0.27 0.00 -1.26 -2.36 105.19 106.31 1xsc n GLY 39 Ca 0.00 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 0.88 -3.50 -0.61 -5.35 -1.26 -4.94 119.36 104.58 1xsc n ILE 40 Ca 0.00 -0.94 -0.21 0.00 -0.27 0.00 0.00 62.75 61.32 1xsc n ILE 40 Cb 0.00 0.61 0.08 0.00 -1.74 0.00 0.00 39.64 38.59 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 1.51 -2.61 -3.30 4.28 8.25 -0.99 -4.98 115.22 117.38 1xsc n HIS 41 Ca 0.22 0.94 -0.32 0.00 -0.26 0.00 0.00 57.72 58.30 1xsc n HIS 41 Cb 0.60 -4.79 -0.06 0.00 1.12 0.00 0.00 29.99 26.87 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 -3.30 3.41 -0.00 4.41 -0.00 -1.26 -4.65 115.29 113.89 1xsc s HIS 42 Ca 0.48 1.02 -0.05 0.00 -0.00 0.00 0.00 55.06 56.51 1xsc s HIS 42 Cb -0.21 -2.38 -0.04 0.00 -0.00 0.00 0.00 32.58 29.95 1xsc s HIS 42 CO 0.68 0.20 0.23 -1.58 -0.00 0.00 0.00 174.74 174.27 1xsc s TRP 43 N -1.87 3.56 -0.08 0.38 0.52 -1.26 0.52 118.94 120.72 1xsc s TRP 43 Ca 0.50 0.48 -0.31 0.00 0.02 0.00 0.00 56.10 56.79 1xsc s TRP 43 Cb -0.11 -1.92 0.08 0.00 -1.15 0.00 0.00 33.47 30.37 1xsc s TRP 43 CO 0.20 0.63 0.74 0.95 0.02 0.00 0.00 176.95 179.48 1xsc s THR 44 N -1.30 0.00 1.02 2.01 -4.23 -0.89 -4.49 115.64 107.76 1xsc s THR 44 Ca 0.27 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.66 1xsc s THR 44 Cb -0.13 -1.00 0.20 0.00 1.34 0.00 0.00 72.50 72.91 1xsc s THR 44 CO 0.17 0.00 1.07 -2.16 -0.54 0.00 0.00 174.62 173.16 1xsc s PRO 45 N -1.12 0.22 -0.93 3.99 0.04 -1.26 -1.19 135.00 134.76 1xsc s PRO 45 Ca -0.09 0.89 -0.25 0.00 0.04 0.00 0.00 61.00 61.59 1xsc s PRO 45 Cb -0.00 -1.68 -0.09 0.00 0.04 0.00 0.00 34.50 32.76 1xsc s PRO 45 CO 0.08 -2.97 2.08 -2.14 0.04 0.00 0.00 177.00 174.09 1xsc s PRO 46 N -4.71 2.18 -0.00 0.56 0.02 -1.26 -4.82 135.00 126.97 1xsc s PRO 46 Ca 0.66 -0.22 -0.05 0.00 0.02 0.00 0.00 61.00 61.42 1xsc s PRO 46 Cb -0.21 -5.01 -0.04 0.00 0.02 0.00 0.00 34.50 29.25 1xsc s PRO 46 CO 0.60 -3.92 0.22 -1.59 -0.33 0.00 0.00 177.00 171.98 1xsc s LYS 47 N 7.55 3.50 0.00 5.54 -2.85 -1.26 -2.76 119.74 129.46 1xsc s LYS 47 Ca 0.77 -0.20 0.00 0.00 -1.00 0.00 0.00 55.97 55.54 1xsc s LYS 47 Cb -0.07 -3.09 0.00 0.00 -2.06 0.00 0.00 37.83 32.61 1xsc s LYS 47 CO 0.05 0.66 0.00 0.41 0.10 0.00 0.00 175.35 176.57 1xsc n GLY 48 N 1.04 5.22 3.04 0.59 0.00 0.15 -4.90 105.19 110.33 1xsc n GLY 48 Ca -0.11 -1.93 -0.32 0.00 0.00 0.00 0.00 46.02 43.67 1xsc n GLY 48 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xsc s HIS 49 N -0.73 3.64 -0.14 1.61 3.76 -1.26 -1.99 115.29 120.18 1xsc s HIS 49 Ca 0.00 -2.80 -0.29 0.00 -0.15 0.00 0.00 55.06 51.82 1xsc s HIS 49 Cb 0.00 -2.70 -0.01 0.00 1.11 0.00 0.00 32.58 30.97 1xsc s HIS 49 CO 0.00 -0.93 1.17 0.54 -0.85 0.00 0.00 174.74 174.67 1xsc s VAL 50 N 0.97 4.41 0.90 -0.90 0.11 -0.63 -4.96 120.40 120.30 1xsc s VAL 50 Ca 0.06 1.70 -0.14 0.00 -2.93 0.00 0.00 61.98 60.68 1xsc s VAL 50 Cb -0.19 -4.10 0.14 0.00 -1.53 0.00 0.00 36.38 30.70 1xsc s VAL 50 CO -0.07 -0.09 1.21 -1.83 -3.33 0.00 0.00 175.10 170.98 1xsc s GLU 51 N 2.92 1.18 0.11 1.54 -1.05 -1.26 -4.54 118.70 117.60 1xsc s GLU 51 Ca 0.52 -0.01 -0.30 0.00 -0.15 0.00 0.00 54.97 55.03 1xsc s GLU 51 Cb -0.21 -1.87 -0.11 0.00 -0.44 0.00 0.00 34.13 31.50 1xsc s GLU 51 CO 0.15 -2.12 1.61 -1.35 0.95 0.00 0.00 175.26 174.50 1xsc h PRO 52 N -1.43 -0.62 -0.54 -4.83 0.11 -1.96 -2.24 132.00 120.48 1xsc h PRO 52 Ca -0.47 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1xsc h PRO 52 Cb 1.30 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.55 1xsc h PRO 52 CO 0.55 -0.42 0.00 0.41 -0.21 0.00 0.00 178.00 178.33 1xsc n GLY 53 N -1.45 1.27 3.94 -0.55 0.00 -1.26 -4.90 105.19 102.24 1xsc n GLY 53 Ca -0.08 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.66 3.51 0.62 1.61 2.12 -0.84 -5.09 118.70 118.96 1xsc s GLU 54 Ca 0.24 -0.29 -0.11 0.00 0.36 0.00 0.00 54.97 55.16 1xsc s GLU 54 Cb 0.15 -2.67 -0.04 0.00 0.26 0.00 0.00 34.13 31.83 1xsc s GLU 54 CO 0.12 0.17 1.03 0.34 -0.54 0.00 0.00 175.26 176.38 1xsc s ASP 55 N -3.87 6.16 -0.07 -1.70 -1.08 -1.26 -4.71 116.67 110.14 1xsc s ASP 55 Ca 0.40 1.46 -0.10 0.00 -0.52 0.00 0.00 52.55 53.79 1xsc s ASP 55 Cb -0.10 -2.48 -0.07 0.00 -1.46 0.00 0.00 42.92 38.82 1xsc s ASP 55 CO 0.35 -0.91 0.41 0.44 0.52 0.00 0.00 175.17 175.98 1xsc h ASP 56 N -0.25 -0.22 -0.63 -0.34 5.19 -1.98 -3.11 116.42 115.08 1xsc h ASP 56 Ca -0.44 -0.08 -0.09 0.00 -0.62 0.00 0.00 57.03 55.80 1xsc h ASP 56 Cb 1.19 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.74 1xsc h ASP 56 CO 0.61 0.28 0.04 0.25 -3.12 0.00 0.00 179.24 177.30 1xsc h LEU 57 N -1.05 1.05 -0.48 1.55 5.85 -1.97 -3.01 115.31 117.25 1xsc h LEU 57 Ca -0.03 -0.28 0.10 0.00 0.84 0.00 0.00 57.88 58.51 1xsc h LEU 57 Cb 0.29 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 40.95 1xsc h LEU 57 CO 0.04 1.08 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.77 1xsc h GLU 58 N 1.00 0.00 -0.81 1.25 5.08 -1.98 1.19 114.58 120.31 1xsc h GLU 58 Ca 0.19 -0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.65 1xsc h GLU 58 Cb 0.51 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.68 1xsc h GLU 58 CO 0.02 0.00 0.44 1.15 -1.00 0.00 0.00 179.01 179.62 1xsc h THR 59 N 0.00 0.85 -0.02 1.13 2.02 -1.45 0.89 112.91 116.34 1xsc h THR 59 Ca 0.23 -0.24 -0.12 0.00 0.77 0.00 0.00 66.41 67.05 1xsc h THR 59 Cb 0.35 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 1xsc h THR 59 CO -0.49 0.13 -0.55 0.00 0.37 0.00 0.00 175.52 174.98 1xsc h ALA 60 N 1.47 1.06 0.12 6.16 0.00 -0.63 -1.46 119.26 125.99 1xsc h ALA 60 Ca 0.40 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1xsc h ALA 60 Cb 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xsc h ALA 60 CO -0.28 0.69 -0.06 -0.07 0.00 0.00 0.00 179.25 179.53 1xsc h LEU 61 N 0.04 -0.14 -0.84 0.00 3.38 0.48 -2.20 115.31 116.04 1xsc h LEU 61 Ca -0.00 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 1xsc h LEU 61 Cb 0.98 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 1xsc h LEU 61 CO 0.07 0.38 0.51 -0.09 0.09 0.00 0.00 178.44 179.41 1xsc h ARG 62 N -0.72 1.13 -0.16 1.13 2.43 0.60 -1.24 114.38 117.55 1xsc h ARG 62 Ca -0.02 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 1xsc h ARG 62 Cb 0.53 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1xsc h ARG 62 CO 0.03 0.79 -0.00 0.00 -1.51 0.00 0.00 179.97 179.27 1xsc h ALA 63 N 1.28 1.70 -0.01 2.80 0.00 -1.31 0.81 119.26 124.53 1xsc h ALA 63 Ca 0.30 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1xsc h ALA 63 Cb -0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1xsc h ALA 63 CO -0.06 0.23 0.00 1.15 0.00 0.00 0.00 179.25 180.57 1xsc h THR 64 N 0.23 1.20 0.00 0.00 2.02 -0.58 0.78 112.91 116.56 1xsc h THR 64 Ca 0.05 -0.58 -0.11 0.00 0.77 0.00 0.00 66.41 66.54 1xsc h THR 64 Cb 0.17 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 1xsc h THR 64 CO 0.00 0.15 -0.55 0.06 0.37 0.00 0.00 175.52 175.56 1xsc h GLN 65 N -0.23 0.00 0.13 6.66 3.07 0.21 0.78 115.11 125.73 1xsc h GLN 65 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 58.65 58.47 1xsc h GLN 65 Cb 0.25 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.82 1xsc h GLN 65 CO 0.00 0.55 -1.23 0.93 0.09 0.00 0.00 178.83 179.16 1xsc h GLU 66 N 0.00 0.34 -0.06 0.06 4.39 0.75 0.34 114.58 120.40 1xsc h GLU 66 Ca -0.01 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.16 1xsc h GLU 66 Cb 1.29 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 30.14 1xsc h GLU 66 CO 0.07 1.24 0.00 0.39 -1.16 0.00 0.00 179.01 179.55 1xsc n GLU 67 N -3.60 1.35 0.00 2.33 4.71 0.27 -3.94 120.64 121.77 1xsc n GLU 67 Ca -0.10 -1.52 0.00 0.00 -0.01 0.00 0.00 57.16 55.53 1xsc n GLU 67 Cb 1.01 -1.31 0.00 0.00 -1.01 0.00 0.00 31.44 30.13 1xsc n GLU 67 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1xsc n ALA 68 N 0.90 0.00 -0.43 0.62 0.00 0.26 -4.24 120.51 117.62 1xsc n ALA 68 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1xsc n ALA 68 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 1.35 3.68 0.00 0.00 0.12 -0.22 105.19 110.12 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 -2.71 5.36 0.41 -0.61 1.01 -1.16 -4.72 121.20 118.78 1xsc s ILE 70 Ca 0.00 0.18 0.08 0.00 0.00 0.00 0.00 60.65 60.90 1xsc s ILE 70 Cb 0.00 -3.48 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 1xsc s ILE 70 CO 0.00 0.38 0.31 -1.83 0.00 0.00 0.00 174.94 173.80 1xsc s GLU 71 N 0.81 2.45 0.42 2.79 -1.05 -1.26 0.14 118.70 123.00 1xsc s GLU 71 Ca 0.08 -1.61 0.22 0.00 -0.15 0.00 0.00 54.97 53.51 1xsc s GLU 71 Cb -0.13 -2.26 1.21 0.00 -0.44 0.00 0.00 34.13 32.51 1xsc s GLU 71 CO 0.02 -0.15 1.75 0.00 0.95 0.00 0.00 175.26 177.84 1xsc h ALA 72 N 1.17 2.41 0.00 -0.84 0.00 -1.87 0.96 119.26 121.10 1xsc h ALA 72 Ca -0.42 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1xsc h ALA 72 Cb 1.26 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1xsc h ALA 72 CO 0.61 -0.84 -0.12 0.78 0.00 0.00 0.00 179.25 179.68 1xsc h GLY 73 N 0.30 0.00 -1.61 0.00 0.00 -1.99 -2.63 103.07 97.13 1xsc h GLY 73 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.95 1xsc h GLY 73 CO -0.28 0.00 0.00 -0.18 0.00 0.00 0.00 176.54 176.08 1xsc n GLN 74 N -3.25 2.18 -3.45 4.80 -0.06 0.33 -4.94 117.38 112.98 1xsc n GLN 74 Ca 0.00 -1.73 -0.13 0.00 -2.00 0.00 0.00 57.00 53.15 1xsc n GLN 74 Cb 0.38 -1.47 -0.05 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 1.07 0.00 -3.72 1.69 -0.00 -0.71 0.33 117.00 115.65 1xsc n LEU 75 Ca 0.16 -2.09 -0.30 0.00 -0.00 0.00 0.00 56.01 53.78 1xsc n LEU 75 Cb 0.54 1.21 -0.15 0.00 -0.00 0.00 0.00 43.42 45.01 1xsc n LEU 75 CO 0.15 -0.37 -0.33 -0.89 -0.00 0.00 0.00 177.39 175.96 1xsc s THR 76 N -2.87 0.81 -0.12 1.47 2.01 0.14 -4.77 115.64 112.31 1xsc s THR 76 Ca 0.26 -1.33 -0.29 0.00 0.31 0.00 0.00 61.69 60.63 1xsc s THR 76 Cb 0.01 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 1xsc s THR 76 CO 0.18 -0.66 1.52 -0.63 -0.69 0.00 0.00 174.62 174.34 1xsc s ILE 77 N 1.65 3.83 0.10 1.82 -1.09 -1.25 -1.37 121.20 124.88 1xsc s ILE 77 Ca 0.09 0.99 -0.29 0.00 -2.23 0.00 0.00 60.65 59.21 1xsc s ILE 77 Cb -0.17 -3.68 -0.06 0.00 -1.58 0.00 0.00 42.46 36.97 1xsc s ILE 77 CO -0.25 -0.13 0.94 -0.63 -1.23 0.00 0.00 174.94 173.63 1xsc s ILE 78 N 4.07 4.55 0.19 2.92 1.09 0.31 -4.96 121.20 129.37 1xsc s ILE 78 Ca 0.67 2.02 -0.06 0.00 -1.10 0.00 0.00 60.65 62.18 1xsc s ILE 78 Cb -0.28 -4.30 -0.06 0.00 -1.06 0.00 0.00 42.46 36.76 1xsc s ILE 78 CO 0.25 0.32 0.45 -1.61 -0.10 0.00 0.00 174.94 174.24 1xsc s GLU 79 N 0.04 3.67 0.00 2.79 2.02 -1.26 -4.27 118.70 121.69 1xsc s GLU 79 Ca 0.46 0.01 0.00 0.00 0.02 0.00 0.00 54.97 55.46 1xsc s GLU 79 Cb -0.23 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.24 1xsc s GLU 79 CO 0.29 0.38 0.00 0.41 0.02 0.00 0.00 175.26 176.36 1xsc n GLY 80 N -0.18 3.34 3.53 -1.39 0.00 -1.26 -5.04 105.19 104.20 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 -2.99 3.14 -0.25 1.61 2.19 -1.26 -5.08 117.98 115.33 1xsc s PHE 81 Ca 0.00 -0.19 -0.12 0.00 0.33 0.00 0.00 56.93 56.94 1xsc s PHE 81 Cb 0.00 -2.12 0.09 0.00 -1.31 0.00 0.00 43.02 39.68 1xsc s PHE 81 CO 0.00 -0.09 0.60 0.21 1.83 0.00 0.00 175.22 177.77 1xsc s LYS 82 N 0.86 0.58 -0.12 10.12 2.20 -1.26 -4.68 119.74 127.43 1xsc s LYS 82 Ca 0.03 1.18 -0.11 0.00 -0.36 0.00 0.00 55.97 56.70 1xsc s LYS 82 Cb -0.14 0.29 0.03 0.00 -1.51 0.00 0.00 37.83 36.51 1xsc s LYS 82 CO 0.02 -0.17 0.33 1.03 -0.36 0.00 0.00 175.35 176.20 1xsc s ARG 83 N 1.98 0.38 -0.03 4.03 1.81 -1.23 -5.01 118.95 120.87 1xsc s ARG 83 Ca -0.08 0.47 0.06 0.00 -1.72 0.00 0.00 55.73 54.46 1xsc s ARG 83 Cb -0.08 0.17 -0.01 0.00 -0.45 0.00 0.00 34.95 34.58 1xsc s ARG 83 CO -0.18 -0.05 -0.23 -1.83 -0.68 0.00 0.00 175.30 172.34 1xsc s GLU 84 N 0.24 2.05 -0.26 3.54 1.03 -1.25 0.61 118.70 124.66 1xsc s GLU 84 Ca -0.01 -0.81 -0.09 0.00 0.03 0.00 0.00 54.97 54.10 1xsc s GLU 84 Cb -0.03 -1.86 -0.04 0.00 -0.80 0.00 0.00 34.13 31.40 1xsc s GLU 84 CO -0.00 0.42 0.11 -0.51 -1.33 0.00 0.00 175.26 173.95 1xsc s LEU 85 N -0.33 3.68 -0.16 1.83 1.43 0.29 -4.78 118.68 120.63 1xsc s LEU 85 Ca 0.03 -0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 52.99 1xsc s LEU 85 Cb -0.11 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 1xsc s LEU 85 CO 0.01 -0.03 -0.06 0.20 0.23 0.00 0.00 176.35 176.70 1xsc s ASN 86 N 1.58 4.49 -0.26 2.29 0.01 -1.25 -0.06 114.94 121.74 1xsc s ASN 86 Ca 0.06 -0.24 -0.26 0.00 -0.71 0.00 0.00 52.86 51.72 1xsc s ASN 86 Cb -0.15 -1.73 0.12 0.00 0.41 0.00 0.00 41.25 39.89 1xsc s ASN 86 CO 0.06 0.12 0.98 -0.72 -1.51 0.00 0.00 177.10 176.04 1xsc s TYR 87 N 0.61 -0.50 -0.40 2.20 -0.85 -1.17 -4.91 117.35 112.33 1xsc s TYR 87 Ca -0.04 1.17 -0.25 0.00 -0.52 0.00 0.00 57.07 57.43 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 0.03 -0.27 0.89 0.54 -1.52 0.00 0.00 175.55 175.21 1xsc s VAL 88 N 0.01 4.59 0.00 -3.49 0.11 -1.26 -1.11 120.40 119.25 1xsc s VAL 88 Ca 0.02 0.95 0.00 0.00 -2.93 0.00 0.00 61.98 60.02 1xsc s VAL 88 Cb -0.04 -4.33 0.00 0.00 -1.53 0.00 0.00 36.38 30.47 1xsc s VAL 88 CO -0.04 -0.61 0.00 0.00 -3.33 0.00 0.00 175.10 171.12 1xsc n ALA 89 N 6.81 0.00 0.02 1.54 0.00 -1.06 -4.70 120.51 123.11 1xsc n ALA 89 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.36 1xsc n ALA 89 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 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 0.58 0.00 0.00 0.11 -2.04 -3.43 114.38 109.59 1xsc h ARG 90 Ca 0.00 -0.49 0.00 0.00 0.10 0.00 0.00 59.98 59.59 1xsc h ARG 90 Cb 0.00 0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.19 1xsc h ARG 90 CO 0.00 1.12 0.00 -1.71 0.10 0.00 0.00 179.97 179.48 1xsc n ASN 91 N -3.87 0.00 -3.67 0.08 2.85 -1.26 -5.14 115.26 104.25 1xsc n ASN 91 Ca -0.06 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.33 1xsc n ASN 91 Cb 0.74 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.68 1xsc n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1xsc s LYS 92 N 0.00 0.43 -0.18 1.20 2.47 -1.26 -5.08 119.74 117.31 1xsc s LYS 92 Ca 0.00 1.04 -0.29 0.00 -1.56 0.00 0.00 55.97 55.16 1xsc s LYS 92 Cb 0.00 0.27 -0.02 0.00 -1.46 0.00 0.00 37.83 36.62 1xsc s LYS 92 CO 0.00 -0.20 1.33 -1.25 0.16 0.00 0.00 175.35 175.39 1xsc s PRO 93 N 2.15 4.15 -0.21 4.03 0.04 -1.26 -2.57 135.00 141.33 1xsc s PRO 93 Ca -0.06 1.65 -0.08 0.00 0.04 0.00 0.00 61.00 62.55 1xsc s PRO 93 Cb -0.10 -3.82 -0.04 0.00 0.04 0.00 0.00 34.50 30.58 1xsc s PRO 93 CO -0.15 -0.82 0.08 0.21 0.04 0.00 0.00 177.00 176.37 1xsc s LYS 94 N 3.73 3.91 -0.51 4.56 2.20 -0.27 0.13 119.74 133.50 1xsc s LYS 94 Ca 0.58 -0.37 -0.23 0.00 -0.36 0.00 0.00 55.97 55.59 1xsc s LYS 94 Cb -0.22 -3.31 0.04 0.00 -1.51 0.00 0.00 37.83 32.83 1xsc s LYS 94 CO 0.18 0.11 0.86 0.99 -0.36 0.00 0.00 175.35 177.14 1xsc s THR 95 N 0.84 4.52 -0.39 3.43 2.01 0.20 -3.06 115.64 123.18 1xsc s THR 95 Ca 0.04 0.28 -0.10 0.00 0.31 0.00 0.00 61.69 62.22 1xsc s THR 95 Cb -0.13 -4.45 0.05 0.00 0.01 0.00 0.00 72.50 67.98 1xsc s THR 95 CO 0.02 -0.95 0.22 -0.69 -0.69 0.00 0.00 174.62 172.53 1xsc s VAL 96 N 3.61 4.41 -0.07 3.82 1.01 0.91 0.11 120.40 134.19 1xsc s VAL 96 Ca 0.29 -1.07 -0.24 0.00 0.00 0.00 0.00 61.98 60.97 1xsc s VAL 96 Cb -0.13 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1xsc s VAL 96 CO 0.20 -0.33 0.72 -0.63 0.00 0.00 0.00 175.10 175.06 1xsc s ILE 97 N 1.50 5.03 -0.12 2.22 -1.09 -1.03 0.10 121.20 127.82 1xsc s ILE 97 Ca 0.02 1.47 0.00 0.00 -2.23 0.00 0.00 60.65 59.92 1xsc s ILE 97 Cb -0.21 -4.06 -0.02 0.00 -1.58 0.00 0.00 42.46 36.60 1xsc s ILE 97 CO 0.05 0.23 -0.12 -0.31 -1.23 0.00 0.00 174.94 173.56 1xsc s TYR 98 N 0.90 2.81 -0.01 3.97 2.02 0.20 0.13 117.35 127.37 1xsc s TYR 98 Ca 0.38 -0.52 0.08 0.00 -0.37 0.00 0.00 57.07 56.64 1xsc s TYR 98 Cb -0.18 -1.81 -0.02 0.00 -0.40 0.00 0.00 41.96 39.55 1xsc s TYR 98 CO 0.18 -0.11 -0.25 -1.58 -1.57 0.00 0.00 175.55 172.21 1xsc s TRP 99 N 0.13 2.36 0.10 2.71 0.51 -1.12 -3.55 118.94 120.07 1xsc s TRP 99 Ca -0.06 -0.42 -0.30 0.00 -2.12 0.00 0.00 56.10 53.20 1xsc s TRP 99 Cb -0.15 -1.49 -0.06 0.00 -0.81 0.00 0.00 33.47 30.96 1xsc s TRP 99 CO 0.05 0.00 1.05 -0.51 -0.51 0.00 0.00 176.95 177.03 1xsc s LEU 100 N -0.72 4.44 -0.02 2.99 1.43 -1.25 0.15 118.68 125.70 1xsc s LEU 100 Ca 0.10 1.89 -0.03 0.00 -1.03 0.00 0.00 54.13 55.07 1xsc s LEU 100 Cb -0.10 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.54 1xsc s LEU 100 CO -0.00 -0.23 0.07 0.00 0.23 0.00 0.00 176.35 176.42 1xsc s ALA 101 N 0.35 -0.17 -0.30 4.21 0.00 0.35 0.11 121.76 126.31 1xsc s ALA 101 Ca 0.51 0.15 -0.03 0.00 0.00 0.00 0.00 51.96 52.59 1xsc s ALA 101 Cb -0.26 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 22.81 1xsc s ALA 101 CO 0.31 -0.05 0.01 -2.00 0.00 0.00 0.00 175.76 174.03 1xsc s GLU 102 N -0.10 2.62 0.55 0.00 2.12 -0.47 0.30 118.70 123.72 1xsc s GLU 102 Ca -0.01 -1.14 -0.19 0.00 0.36 0.00 0.00 54.97 53.98 1xsc s GLU 102 Cb -0.01 -3.21 -0.06 0.00 0.26 0.00 0.00 34.13 31.11 1xsc s GLU 102 CO 0.00 -0.56 1.10 0.14 -0.54 0.00 0.00 175.26 175.39 1xsc s VAL 103 N 1.32 3.41 -1.24 3.70 -7.23 -1.25 0.28 120.40 119.39 1xsc s VAL 103 Ca -0.03 0.83 0.23 0.00 -1.81 0.00 0.00 61.98 61.20 1xsc s VAL 103 Cb -0.19 -3.32 0.31 0.00 0.56 0.00 0.00 36.38 33.75 1xsc s VAL 103 CO -0.01 -0.24 1.76 0.29 -0.31 0.00 0.00 175.10 176.60 1xsc n LYS 104 N -1.41 0.19 -3.59 4.82 4.01 0.15 -4.63 118.16 117.70 1xsc n LYS 104 Ca 0.11 0.08 -0.18 0.00 -0.51 0.00 0.00 58.31 57.81 1xsc n LYS 104 Cb 0.52 -1.50 -0.15 0.00 -0.51 0.00 0.00 35.03 33.39 1xsc n LYS 104 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1xsc s ASP 105 N -2.76 1.15 0.31 4.39 2.15 -1.26 -5.00 116.67 115.64 1xsc s ASP 105 Ca 0.17 0.03 0.08 0.00 0.43 0.00 0.00 52.55 53.27 1xsc s ASP 105 Cb 0.15 0.28 0.83 0.00 -0.30 0.00 0.00 42.92 43.88 1xsc s ASP 105 CO 0.39 -0.29 1.74 0.10 -0.17 0.00 0.00 175.17 176.94 1xsc h TYR 106 N 8.35 1.01 -0.66 -5.34 -0.00 -1.99 1.07 116.97 119.40 1xsc h TYR 106 Ca -0.15 0.04 -0.21 0.00 -0.00 0.00 0.00 58.73 58.41 1xsc h TYR 106 Cb 1.13 -0.29 -0.12 0.00 -0.00 0.00 0.00 36.73 37.45 1xsc h TYR 106 CO 0.28 0.11 0.23 -3.47 -0.00 0.00 0.00 178.16 175.31 1xsc n ASP 107 N -4.86 4.42 -4.31 0.10 2.03 -1.26 -5.02 116.55 107.65 1xsc n ASP 107 Ca 0.25 -3.29 -0.38 0.00 0.52 0.00 0.00 54.79 51.89 1xsc n ASP 107 Cb 0.68 -0.72 0.03 0.00 -0.72 0.00 0.00 41.12 40.39 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 -0.37 0.77 -1.83 5.18 3.14 0.37 -4.81 118.33 120.78 1xsc n VAL 108 Ca 0.39 -0.49 -0.41 0.00 -2.96 0.00 0.00 64.34 60.87 1xsc n VAL 108 Cb 1.32 -0.25 -0.01 0.00 -1.06 0.00 0.00 33.84 33.84 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 -1.55 4.14 -0.37 1.45 1.03 -1.26 -4.97 118.70 117.16 1xsc s GLU 109 Ca 0.59 2.53 0.03 0.00 0.03 0.00 0.00 54.97 58.16 1xsc s GLU 109 Cb -0.44 -2.99 0.11 0.00 -0.80 0.00 0.00 34.13 30.00 1xsc s GLU 109 CO 0.64 -0.52 0.10 0.42 -1.33 0.00 0.00 175.26 174.56 1xsc s ILE 110 N -0.84 2.12 -0.49 1.83 -1.09 -1.24 -4.28 121.20 117.21 1xsc s ILE 110 Ca 0.55 -2.39 -0.17 0.00 -2.23 0.00 0.00 60.65 56.41 1xsc s ILE 110 Cb -0.46 -2.55 0.06 0.00 -1.58 0.00 0.00 42.46 37.93 1xsc s ILE 110 CO 0.58 -0.65 0.51 -0.13 -1.23 0.00 0.00 174.94 174.02 1xsc s ARG 111 N 0.78 3.05 0.31 2.79 0.52 0.70 -4.84 118.95 122.26 1xsc s ARG 111 Ca 0.12 -1.10 -0.04 0.00 -0.52 0.00 0.00 55.73 54.19 1xsc s ARG 111 Cb -0.20 -4.11 -0.05 0.00 0.52 0.00 0.00 34.95 31.11 1xsc s ARG 111 CO -0.09 -1.11 0.57 -0.51 0.02 0.00 0.00 175.30 174.18 1xsc s LEU 112 N 2.14 4.03 0.00 2.53 1.43 -1.26 -1.12 118.68 126.43 1xsc s LEU 112 Ca 0.10 0.70 0.00 0.00 -1.03 0.00 0.00 54.13 53.90 1xsc s LEU 112 Cb -0.21 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1xsc s LEU 112 CO 0.10 -0.23 0.00 -0.24 0.23 0.00 0.00 176.35 176.21 1xsc n SER 113 N -1.09 0.01 0.25 2.29 2.88 -1.25 -4.93 113.62 111.77 1xsc n SER 113 Ca -0.02 -0.81 0.17 0.00 -1.33 0.00 0.00 58.87 56.89 1xsc n SER 113 Cb 0.54 0.00 0.76 0.00 -0.75 0.00 0.00 64.21 64.76 1xsc n SER 113 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1xsc h HIS 114 N 0.00 0.00 0.00 0.66 2.76 -1.99 -2.04 115.15 114.53 1xsc h HIS 114 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1xsc h HIS 114 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.96 1xsc h HIS 114 CO 0.00 0.00 -0.31 -0.85 -1.30 0.00 0.00 177.93 175.47 1xsc n GLU 115 N -2.85 0.24 -4.44 5.26 0.28 -1.26 -4.86 120.64 113.02 1xsc n GLU 115 Ca -0.00 0.13 -0.25 0.00 -0.16 0.00 0.00 57.16 56.88 1xsc n GLU 115 Cb 0.22 -1.71 -0.09 0.00 1.43 0.00 0.00 31.44 31.28 1xsc n GLU 115 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 1xsc s HIS 116 N -3.12 2.47 0.00 -1.84 3.76 -0.77 -1.61 115.29 114.18 1xsc s HIS 116 Ca 0.09 -0.45 0.00 0.00 -0.15 0.00 0.00 55.06 54.55 1xsc s HIS 116 Cb 0.14 -1.39 0.00 0.00 1.11 0.00 0.00 32.58 32.44 1xsc s HIS 116 CO 0.65 0.55 0.00 0.00 -0.85 0.00 0.00 174.74 175.10 1xsc n GLN 117 N -0.85 1.32 -3.54 1.40 10.64 -1.20 -4.58 117.38 120.57 1xsc n GLN 117 Ca -0.05 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.00 1xsc n GLN 117 Cb 0.62 -0.54 -0.04 0.00 -0.86 0.00 0.00 30.24 29.43 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 -0.89 -1.29 0.29 2.61 0.00 -1.26 -5.04 121.76 116.18 1xsc s ALA 118 Ca 0.00 0.33 0.03 0.00 0.00 0.00 0.00 51.96 52.32 1xsc s ALA 118 Cb 0.00 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 1xsc s ALA 118 CO 0.00 -0.65 0.15 1.52 0.00 0.00 0.00 175.76 176.77 1xsc s TYR 119 N -3.42 1.57 0.08 0.00 1.13 -1.26 0.11 117.35 115.56 1xsc s TYR 119 Ca 0.00 -1.34 -0.22 0.00 -1.41 0.00 0.00 57.07 54.10 1xsc s TYR 119 Cb 0.00 -0.85 0.05 0.00 -1.10 0.00 0.00 41.96 40.07 1xsc s TYR 119 CO -0.10 -0.50 0.52 1.03 -2.51 0.00 0.00 175.55 173.99 1xsc s ARG 120 N -3.87 1.08 -0.28 -3.49 0.52 0.27 -4.91 118.95 108.27 1xsc s ARG 120 Ca 0.36 -0.34 0.03 0.00 -0.52 0.00 0.00 55.73 55.26 1xsc s ARG 120 Cb 0.06 0.49 0.07 0.00 0.52 0.00 0.00 34.95 36.09 1xsc s ARG 120 CO 0.17 -0.41 -0.06 -1.58 0.02 0.00 0.00 175.30 173.43 1xsc s TRP 121 N -2.87 3.33 0.23 -0.53 0.52 -1.26 -1.20 118.94 117.17 1xsc s TRP 121 Ca -0.03 -2.47 0.00 0.00 0.02 0.00 0.00 56.10 53.62 1xsc s TRP 121 Cb -0.00 -2.18 -0.04 0.00 -1.15 0.00 0.00 33.47 30.10 1xsc s TRP 121 CO -0.05 -0.89 0.12 -0.51 0.02 0.00 0.00 176.95 175.64 1xsc s LEU 122 N 1.07 1.38 0.00 2.99 1.02 -1.01 -4.89 118.68 119.24 1xsc s LEU 122 Ca -0.03 -1.41 0.00 0.00 0.02 0.00 0.00 54.13 52.71 1xsc s LEU 122 Cb -0.20 0.24 0.00 0.00 0.02 0.00 0.00 46.19 46.25 1xsc s LEU 122 CO -0.06 -0.81 0.00 0.61 0.02 0.00 0.00 176.35 176.11 1xsc n GLY 123 N -0.37 -0.67 0.24 -3.19 0.00 -1.26 0.15 105.19 100.09 1xsc n GLY 123 Ca 0.01 -1.64 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 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 0.88 0.09 0.99 5.85 -1.92 0.20 115.31 121.41 1xsc h LEU 124 Ca 0.00 -0.46 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 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 1.16 -0.04 1.05 -0.34 0.00 0.00 178.44 180.26 1xsc h GLU 125 N 0.62 -0.12 0.06 1.25 4.11 -1.97 -0.46 114.58 118.07 1xsc h GLU 125 Ca 0.06 0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.49 1xsc h GLU 125 Cb 0.90 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1xsc h GLU 125 CO 0.08 0.05 -0.03 0.93 0.07 0.00 0.00 179.01 180.11 1xsc h GLU 126 N -0.27 -0.08 -0.90 1.06 3.07 -1.92 0.22 114.58 115.76 1xsc h GLU 126 Ca -0.01 0.01 0.25 0.00 -0.50 0.00 0.00 59.36 59.10 1xsc h GLU 126 Cb 0.22 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.11 1xsc h GLU 126 CO 0.02 0.36 0.64 0.00 -1.40 0.00 0.00 179.01 178.63 1xsc h ALA 127 N 0.32 2.72 0.00 3.43 0.00 -0.99 0.95 119.26 125.69 1xsc h ALA 127 Ca -0.01 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 1xsc h ALA 127 Cb 0.48 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1xsc h ALA 127 CO 0.01 -0.98 -1.16 0.00 0.00 0.00 0.00 179.25 177.12 1xsc h GLN 129 N 0.00 0.51 -0.03 0.00 -0.00 0.42 -3.16 115.11 112.85 1xsc h GLN 129 Ca -0.09 -0.18 -0.17 0.00 -0.00 0.00 0.00 58.65 58.21 1xsc h GLN 129 Cb 1.78 -0.04 0.01 0.00 -0.00 0.00 0.00 27.48 29.23 1xsc h GLN 129 CO 0.10 0.70 -0.64 -0.07 -0.00 0.00 0.00 178.83 178.92 1xsc h LEU 130 N 0.28 0.61 -4.23 0.06 3.38 -1.15 -3.27 115.31 110.99 1xsc h LEU 130 Ca 0.07 -0.73 -0.25 0.00 0.09 0.00 0.00 57.88 57.06 1xsc h LEU 130 Cb 0.49 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 1xsc h LEU 130 CO 0.02 1.25 0.34 0.00 0.09 0.00 0.00 178.44 180.14 1xsc n ALA 131 N -2.59 6.22 -0.53 1.53 0.00 -0.83 -4.27 120.51 120.04 1xsc n ALA 131 Ca -0.10 -1.98 0.43 0.00 0.00 0.00 0.00 53.44 51.79 1xsc n ALA 131 Cb 0.68 -2.48 0.69 0.00 0.00 0.00 0.00 19.45 18.34 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 2.72 -0.02 -1.66 0.00 10.64 -1.20 -3.87 117.38 124.00 1xsc n GLN 132 Ca 0.46 1.10 -0.47 0.00 -1.83 0.00 0.00 57.00 56.25 1xsc n GLN 132 Cb 0.75 -2.31 -0.05 0.00 -0.86 0.00 0.00 30.24 27.78 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 -4.24 2.28 -0.24 2.61 3.01 -1.26 -4.85 117.46 114.77 1xsc n PHE 133 Ca 0.39 -0.05 -0.00 0.00 1.01 0.00 0.00 57.45 58.80 1xsc n PHE 133 Cb 1.63 -2.68 0.06 0.00 -0.01 0.00 0.00 39.48 38.49 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 10.10 -0.03 -0.62 -1.08 3.64 -1.97 -1.03 116.57 125.58 1xsc h LYS 134 Ca -0.47 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.04 1xsc h LYS 134 Cb 1.27 0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.98 1xsc h LYS 134 CO 0.95 -0.02 -0.20 0.93 -2.27 0.00 0.00 179.45 178.84 1xsc h GLU 135 N -0.03 -0.05 -0.54 1.90 3.07 -1.90 -0.52 114.58 116.51 1xsc h GLU 135 Ca 0.32 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.06 1xsc h GLU 135 Cb 0.53 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 1xsc h GLU 135 CO -0.72 -0.03 -0.13 0.52 -1.40 0.00 0.00 179.01 177.24 1xsc h MET 136 N -0.05 1.04 -0.72 2.33 2.86 -1.49 -1.30 114.93 117.60 1xsc h MET 136 Ca 0.29 -0.40 0.14 0.00 -2.06 0.00 0.00 59.70 57.67 1xsc h MET 136 Cb 0.49 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.05 1xsc h MET 136 CO -0.66 1.09 0.49 0.87 1.06 0.00 0.00 176.91 179.76 1xsc h LYS 137 N 0.92 0.39 0.08 1.72 6.56 -0.14 -0.22 116.57 125.87 1xsc h LYS 137 Ca 0.14 -0.02 -0.14 0.00 -1.06 0.00 0.00 60.65 59.56 1xsc h LYS 137 Cb 0.71 -0.09 0.02 0.00 -0.57 0.00 0.00 32.23 32.29 1xsc h LYS 137 CO 0.05 0.26 -0.61 0.00 -2.06 0.00 0.00 179.45 177.09 1xsc h ALA 138 N 1.66 -0.03 -0.51 3.86 0.00 -0.84 -1.28 119.26 122.11 1xsc h ALA 138 Ca 0.35 -0.62 0.10 0.00 0.00 0.00 0.00 54.91 54.74 1xsc h ALA 138 Cb 0.81 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.58 1xsc h ALA 138 CO -0.11 0.30 0.03 0.00 0.00 0.00 0.00 179.25 179.47 1xsc h ALA 139 N 0.15 0.52 0.00 0.00 0.00 -0.15 0.59 119.26 120.37 1xsc h ALA 139 Ca -0.10 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1xsc h ALA 139 Cb 1.42 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 1xsc h ALA 139 CO 0.12 -0.37 -0.51 -0.07 0.00 0.00 0.00 179.25 178.42 1xsc h LEU 140 N 0.15 0.00 0.11 0.00 3.38 -1.19 -2.11 115.31 115.66 1xsc h LEU 140 Ca 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1xsc h LEU 140 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1xsc h LEU 140 CO -0.40 0.51 -0.05 1.56 0.09 0.00 0.00 178.44 180.14 1xsc h GLN 141 N 0.00 -0.15 0.00 1.13 1.08 0.43 -2.71 115.11 114.90 1xsc h GLN 141 Ca -0.01 0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.12 1xsc h GLN 141 Cb 1.15 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.60 1xsc h GLN 141 CO 0.07 0.24 -0.42 0.93 -0.95 0.00 0.00 178.83 178.70 1xsc h GLU 142 N -0.57 0.00 -0.64 1.46 3.07 -0.02 -2.27 114.58 115.60 1xsc h GLU 142 Ca -0.02 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1xsc h GLU 142 Cb 0.46 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.34 1xsc h GLU 142 CO 0.03 0.42 0.39 0.78 -1.40 0.00 0.00 179.01 179.22 1xsc h GLY 143 N 1.44 0.93 2.00 -3.84 0.00 -1.32 0.12 103.07 102.40 1xsc h GLY 143 Ca -0.00 -0.39 -0.13 0.00 0.00 0.00 0.00 47.33 46.81 1xsc h GLY 143 CO 0.05 0.37 -0.62 0.84 0.00 0.00 0.00 176.54 177.19 1xsc h HIS 144 N 0.87 0.00 0.11 5.60 -0.00 -1.32 -2.94 115.15 117.48 1xsc h HIS 144 Ca 0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.60 1xsc h HIS 144 Cb -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.38 1xsc h HIS 144 CO -0.02 0.62 -0.05 0.37 -0.00 0.00 0.00 177.93 178.84 1xsc h GLN 145 N 0.00 -0.15 0.30 5.26 5.75 -0.81 -2.68 115.11 122.78 1xsc h GLN 145 Ca -0.01 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1xsc h GLN 145 Cb 1.27 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.85 1xsc h GLN 145 CO 0.08 0.31 -0.20 0.35 -2.65 0.00 0.00 178.83 176.72 1xsc h PHE 146 N -0.70 -0.52 -0.49 3.99 3.57 -0.87 -2.16 116.94 119.75 1xsc h PHE 146 Ca -0.02 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.62 1xsc h PHE 146 Cb 0.53 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 1xsc h PHE 146 CO 0.09 -0.31 0.37 -0.07 -2.23 0.00 0.00 178.31 176.16 1xsc h LEU 147 N -0.49 0.00 -0.46 0.59 3.38 -1.63 0.48 115.31 117.18 1xsc h LEU 147 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1xsc h LEU 147 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1xsc h LEU 147 CO 0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.55 1xsc n SER 149 N -2.04 0.59 0.00 0.00 2.88 0.17 -4.90 113.62 110.31 1xsc n SER 149 Ca 0.03 -0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.30 1xsc n SER 149 Cb 0.23 0.95 0.00 0.00 -0.75 0.00 0.00 64.21 64.65 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 -1.96 0.00 0.18 2.46 5.41 -0.92 -5.10 119.36 119.43 1xsc n ILE 150 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1xsc n ILE 150 Cb 0.44 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.37 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 -1.34 0.38 2.13 -1.26 -5.10 120.64 115.46 1xsc n GLU 151 Ca 0.00 0.00 0.16 0.00 0.66 0.00 0.00 57.16 57.98 1xsc n GLU 151 Cb 0.00 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.64 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 -3.40 -3.53 1.87 4.31 0.00 -1.26 -5.11 120.51 113.38 1xsc n ALA 152 Ca 0.00 0.71 0.15 0.00 0.00 0.00 0.00 53.44 54.31 1xsc n ALA 152 Cb 0.00 -1.40 0.84 0.00 0.00 0.00 0.00 19.45 18.89 1xsc n ALA 152 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39