#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dxa h PRO 3 N 0.00 0.00 -0.12 -0.78 0.11 -1.86 -1.37 132.00 127.98 2dxa h PRO 3 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2dxa h PRO 3 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 2dxa h PRO 3 CO 0.00 0.05 0.02 0.00 -0.21 0.00 0.00 178.00 177.86 2dxa h ALA 4 N 1.95 0.16 -0.38 -0.75 0.00 -1.79 -1.17 119.26 117.29 2dxa h ALA 4 Ca -0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2dxa h ALA 4 Cb 0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2dxa h ALA 4 CO 0.01 -0.18 0.11 0.28 0.00 0.00 0.00 179.25 179.47 2dxa h VAL 5 N -0.03 1.22 -0.84 0.00 2.07 -1.67 -2.70 116.25 114.29 2dxa h VAL 5 Ca 0.04 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 66.86 2dxa h VAL 5 Cb 0.30 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 2dxa h VAL 5 CO 0.00 0.25 0.56 0.11 0.02 0.00 0.00 177.57 178.51 2dxa h LYS 6 N 0.46 1.08 -0.54 1.57 1.57 -1.22 -1.49 116.57 117.99 2dxa h LYS 6 Ca 0.12 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 2dxa h LYS 6 Cb 0.27 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2dxa h LYS 6 CO -0.00 0.71 0.14 1.25 -0.57 0.00 0.00 179.45 180.98 2dxa h LEU 7 N 1.11 0.82 -0.55 2.94 5.85 -1.01 0.67 115.31 125.15 2dxa h LEU 7 Ca 0.32 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 2dxa h LEU 7 Cb -0.08 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 2dxa h LEU 7 CO -0.08 0.83 0.07 -0.07 -0.34 0.00 0.00 178.44 178.85 2dxa h LEU 8 N 0.77 0.89 -0.57 2.25 3.38 -1.13 -1.68 115.31 119.21 2dxa h LEU 8 Ca 0.17 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 2dxa h LEU 8 Cb 0.33 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2dxa h LEU 8 CO 0.00 0.94 -0.00 -0.33 0.09 0.00 0.00 178.44 179.13 2dxa h GLU 9 N 0.80 1.01 -0.68 1.13 5.08 -1.00 -1.77 114.58 119.15 2dxa h GLU 9 Ca 0.16 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 2dxa h GLU 9 Cb 0.44 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2dxa h GLU 9 CO 0.01 1.00 0.33 -0.22 -1.00 0.00 0.00 179.01 179.14 2dxa h LYS 10 N 0.89 0.97 -0.32 2.33 3.64 -0.71 -2.44 116.57 120.94 2dxa h LYS 10 Ca 0.16 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2dxa h LYS 10 Cb 0.55 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2dxa h LYS 10 CO 0.03 0.74 0.00 0.09 -2.27 0.00 0.00 179.45 178.04 2dxa n ASN 11 N -4.34 1.87 -3.71 4.20 3.02 -0.65 -4.94 115.26 110.71 2dxa n ASN 11 Ca 0.06 -1.93 -0.23 0.00 -0.03 0.00 0.00 54.58 52.45 2dxa n ASN 11 Cb 0.13 -0.21 0.04 0.00 -0.61 0.00 0.00 39.78 39.13 2dxa n ASN 11 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2dxa n LYS 12 N 0.50 -5.68 -4.25 3.52 5.02 -0.78 -4.99 118.16 111.50 2dxa n LYS 12 Ca 0.13 0.67 -0.35 0.00 -2.02 0.00 0.00 58.31 56.74 2dxa n LYS 12 Cb 0.31 -5.44 -0.10 0.00 -0.02 0.00 0.00 35.03 29.78 2dxa n LYS 12 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2dxa s ILE 13 N -3.49 4.46 0.26 -0.18 -1.09 -0.74 -5.06 121.20 115.36 2dxa s ILE 13 Ca 0.25 -0.18 -0.25 0.00 -2.23 0.00 0.00 60.65 58.24 2dxa s ILE 13 Cb -0.12 -2.92 -0.09 0.00 -1.58 0.00 0.00 42.46 37.75 2dxa s ILE 13 CO 0.80 0.56 0.85 -0.44 -1.23 0.00 0.00 174.94 175.48 2dxa s SER 14 N -0.42 7.30 0.31 3.58 0.01 -1.26 -4.60 113.70 118.62 2dxa s SER 14 Ca 0.08 1.70 -0.19 0.00 1.31 0.00 0.00 55.95 58.85 2dxa s SER 14 Cb -0.12 -2.52 0.04 0.00 0.21 0.00 0.00 66.02 63.62 2dxa s SER 14 CO 0.02 0.03 0.77 0.72 0.41 0.00 0.00 173.24 175.20 2dxa s PHE 15 N -1.46 -0.05 -0.06 2.43 -0.12 -1.26 -4.70 117.98 112.75 2dxa s PHE 15 Ca 0.45 -0.48 -0.00 0.00 -0.05 0.00 0.00 56.93 56.84 2dxa s PHE 15 Cb -0.20 0.76 0.03 0.00 -0.63 0.00 0.00 43.02 42.98 2dxa s PHE 15 CO 0.24 -1.34 -0.02 -1.14 -0.05 0.00 0.00 175.22 172.91 2dxa s GLN 16 N -3.17 0.78 0.25 1.99 2.00 -0.17 -4.98 119.66 116.35 2dxa s GLN 16 Ca 0.13 -0.01 -0.22 0.00 -2.00 0.00 0.00 55.36 53.26 2dxa s GLN 16 Cb -0.05 -0.97 -0.09 0.00 0.80 0.00 0.00 33.01 32.70 2dxa s GLN 16 CO 0.08 -0.21 0.79 0.42 -0.50 0.00 0.00 175.29 175.88 2dxa s ILE 17 N 1.50 4.45 -0.09 -2.34 1.01 -1.26 -0.47 121.20 124.00 2dxa s ILE 17 Ca -0.02 1.47 0.01 0.00 0.00 0.00 0.00 60.65 62.11 2dxa s ILE 17 Cb -0.13 -3.92 0.02 0.00 0.01 0.00 0.00 42.46 38.44 2dxa s ILE 17 CO -0.03 0.20 -0.10 -1.00 0.00 0.00 0.00 174.94 174.01 2dxa s HIS 18 N -1.53 1.49 0.19 3.97 3.76 -0.22 -4.95 115.29 117.99 2dxa s HIS 18 Ca 0.45 -0.66 0.09 0.00 -0.15 0.00 0.00 55.06 54.79 2dxa s HIS 18 Cb -0.18 -1.16 -0.04 0.00 1.11 0.00 0.00 32.58 32.31 2dxa s HIS 18 CO 0.22 -0.40 -0.09 0.95 -0.85 0.00 0.00 174.74 174.57 2dxa s THR 19 N 1.18 3.20 0.03 1.30 -4.23 -1.26 -1.20 115.64 114.66 2dxa s THR 19 Ca -0.05 -1.70 -0.21 0.00 -1.18 0.00 0.00 61.69 58.56 2dxa s THR 19 Cb -0.14 -2.60 0.05 0.00 1.34 0.00 0.00 72.50 71.14 2dxa s THR 19 CO -0.02 -0.14 0.48 -0.72 -0.54 0.00 0.00 174.62 173.67 2dxa s TYR 20 N -1.78 -0.37 0.35 3.99 -0.85 -0.63 -5.00 117.35 113.06 2dxa s TYR 20 Ca 0.26 0.44 -0.25 0.00 -0.52 0.00 0.00 57.07 56.99 2dxa s TYR 20 Cb -0.08 0.28 -0.10 0.00 0.38 0.00 0.00 41.96 42.44 2dxa s TYR 20 CO 0.16 -0.59 0.99 -2.00 -1.52 0.00 0.00 175.55 172.59 2dxa s GLU 21 N -2.20 4.42 0.14 -3.49 2.12 -1.26 -4.43 118.70 114.00 2dxa s GLU 21 Ca -0.07 1.42 0.03 0.00 0.36 0.00 0.00 54.97 56.72 2dxa s GLU 21 Cb -0.01 -2.71 -0.04 0.00 0.26 0.00 0.00 34.13 31.62 2dxa s GLU 21 CO -0.00 0.11 -0.08 -3.38 -0.54 0.00 0.00 175.26 171.37 2dxa s HIS 22 N -1.62 1.16 -0.45 5.30 -3.43 -1.26 -4.96 115.29 110.04 2dxa s HIS 22 Ca 0.53 -0.83 -0.17 0.00 -0.80 0.00 0.00 55.06 53.80 2dxa s HIS 22 Cb -0.20 -0.62 0.04 0.00 -1.43 0.00 0.00 32.58 30.37 2dxa s HIS 22 CO 0.26 -0.01 0.44 0.34 -2.00 0.00 0.00 174.74 173.77 2dxa s ASP 23 N -3.14 6.17 0.56 7.38 -1.08 -1.26 -4.95 116.67 120.37 2dxa s ASP 23 Ca 0.16 -0.91 0.25 0.00 -0.52 0.00 0.00 52.55 51.54 2dxa s ASP 23 Cb 0.04 -2.22 1.55 0.00 -1.46 0.00 0.00 42.92 40.83 2dxa s ASP 23 CO -0.01 -0.63 2.12 -0.65 0.52 0.00 0.00 175.17 176.52 2dxa h PRO 24 N 8.77 0.00 0.00 4.34 0.11 -2.03 -0.92 132.00 142.27 2dxa h PRO 24 Ca -0.27 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.74 2dxa h PRO 24 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2dxa h PRO 24 CO 0.83 0.00 -0.45 0.00 -0.21 0.00 0.00 178.00 178.17 2dxa h ALA 25 N 1.85 1.10 -2.33 -0.75 0.00 -2.07 -3.45 119.26 113.61 2dxa h ALA 25 Ca 0.08 -0.41 -0.50 0.00 0.00 0.00 0.00 54.91 54.08 2dxa h ALA 25 Cb 0.39 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2dxa h ALA 25 CO -0.00 0.57 0.09 -1.21 0.00 0.00 0.00 179.25 178.69 2dxa s GLU 26 N -3.79 3.82 -0.03 0.00 2.02 -0.35 -5.08 118.70 115.30 2dxa s GLU 26 Ca -0.01 0.48 -0.14 0.00 0.02 0.00 0.00 54.97 55.32 2dxa s GLU 26 Cb 0.13 -2.42 -0.05 0.00 0.10 0.00 0.00 34.13 31.88 2dxa s GLU 26 CO 0.72 0.03 0.37 0.99 0.02 0.00 0.00 175.26 177.39 2dxa s THR 27 N -2.25 5.11 -0.26 3.63 2.01 -1.26 -4.92 115.64 117.70 2dxa s THR 27 Ca 0.51 0.74 -0.07 0.00 0.31 0.00 0.00 61.69 63.19 2dxa s THR 27 Cb -0.10 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 2dxa s THR 27 CO 0.28 0.56 0.07 0.21 -0.69 0.00 0.00 174.62 175.05 2dxa s ASN 28 N -0.91 5.09 0.00 3.53 2.47 -1.26 -4.93 114.94 118.92 2dxa s ASN 28 Ca 0.22 -0.36 0.24 0.00 0.42 0.00 0.00 52.86 53.39 2dxa s ASN 28 Cb -0.16 -1.90 0.60 0.00 -1.45 0.00 0.00 41.25 38.34 2dxa s ASN 28 CO 0.11 -0.08 1.49 0.49 -3.72 0.00 0.00 177.10 175.39 2dxa n PHE 29 N 4.91 0.14 0.00 0.43 3.72 -1.26 -4.16 117.46 121.24 2dxa n PHE 29 Ca -0.16 -0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 2dxa n PHE 29 Cb 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 2dxa n PHE 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dxa n GLY 30 N 1.29 1.56 0.61 1.37 0.00 -1.26 -4.97 105.19 103.79 2dxa n GLY 30 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 2dxa n GLY 30 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2dxa n ASP 31 N 0.00 1.84 -0.17 1.61 5.75 -1.26 -4.34 116.55 119.98 2dxa n ASP 31 Ca 0.00 -1.73 -0.04 0.00 -0.01 0.00 0.00 54.79 53.01 2dxa n ASP 31 Cb 0.00 -0.11 0.06 0.00 -1.03 0.00 0.00 41.12 40.04 2dxa n ASP 31 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2dxa h GLU 32 N 2.46 0.48 0.00 0.11 4.81 -1.95 -2.02 114.58 118.47 2dxa h GLU 32 Ca 0.00 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 2dxa h GLU 32 Cb 0.54 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2dxa h GLU 32 CO 0.00 0.32 -0.45 -0.24 -0.73 0.00 0.00 179.01 177.91 2dxa h VAL 33 N 0.49 1.19 -0.05 0.32 3.04 -1.99 -2.08 116.25 117.18 2dxa h VAL 33 Ca 0.23 -1.60 -0.00 0.00 -1.01 0.00 0.00 66.70 64.31 2dxa h VAL 33 Cb 0.15 1.90 -0.00 0.00 -2.01 0.00 0.00 31.29 31.33 2dxa h VAL 33 CO -0.17 0.44 0.02 0.58 -1.01 0.00 0.00 177.57 177.44 2dxa h VAL 34 N 0.00 1.08 -0.16 1.51 2.07 -1.64 -0.24 116.25 118.87 2dxa h VAL 34 Ca -0.00 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 2dxa h VAL 34 Cb 0.86 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 2dxa h VAL 34 CO 0.06 0.07 -0.00 0.11 0.02 0.00 0.00 177.57 177.82 2dxa h LYS 35 N -0.02 0.28 -0.56 1.57 1.57 -1.42 0.18 116.57 118.18 2dxa h LYS 35 Ca 0.02 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 2dxa h LYS 35 Cb 0.09 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2dxa h LYS 35 CO -0.00 0.50 0.02 0.87 -0.57 0.00 0.00 179.45 180.27 2dxa h LYS 36 N 0.03 0.95 -0.11 3.15 1.79 -1.32 -3.28 116.57 117.78 2dxa h LYS 36 Ca 0.05 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 2dxa h LYS 36 Cb 0.38 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2dxa h LYS 36 CO 0.01 0.93 0.00 1.28 -1.08 0.00 0.00 179.45 180.59 2dxa n LEU 37 N -4.20 2.33 -3.20 2.94 4.77 -0.11 -5.00 117.00 114.54 2dxa n LEU 37 Ca 0.03 -1.23 -0.18 0.00 -0.03 0.00 0.00 56.01 54.60 2dxa n LEU 37 Cb 0.32 -0.06 0.08 0.00 -2.33 0.00 0.00 43.42 41.42 2dxa n LEU 37 CO 0.43 0.48 0.16 0.61 -1.33 0.00 0.00 177.39 177.73 2dxa n GLY 38 N 0.74 -0.32 3.95 -0.72 0.00 0.57 -5.00 105.19 104.40 2dxa n GLY 38 Ca 0.09 0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 2dxa n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dxa s LEU 39 N -6.23 3.70 -0.24 0.99 1.43 -0.88 -5.04 118.68 112.42 2dxa s LEU 39 Ca 0.26 0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 53.43 2dxa s LEU 39 Cb -0.12 -3.24 -0.01 0.00 0.03 0.00 0.00 46.19 42.86 2dxa s LEU 39 CO 0.65 -0.63 1.34 0.21 0.23 0.00 0.00 176.35 178.15 2dxa s ASN 40 N -4.18 6.72 0.50 2.29 2.47 -1.26 -4.85 114.94 116.62 2dxa s ASN 40 Ca 0.47 1.46 0.33 0.00 0.42 0.00 0.00 52.86 55.54 2dxa s ASN 40 Cb -0.10 -2.54 1.77 0.00 -1.45 0.00 0.00 41.25 38.94 2dxa s ASN 40 CO 0.38 -0.99 2.02 1.55 -3.72 0.00 0.00 177.10 176.34 2dxa h PRO 41 N 9.14 0.00 0.00 0.43 0.13 -1.96 0.11 132.00 139.85 2dxa h PRO 41 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2dxa h PRO 41 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2dxa h PRO 41 CO 1.01 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 178.34 2dxa h ASP 42 N 0.00 0.00 -0.01 1.44 3.32 -1.96 -2.79 116.42 116.42 2dxa h ASP 42 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2dxa h ASP 42 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2dxa h ASP 42 CO 0.00 0.00 -0.60 1.67 -1.72 0.00 0.00 179.24 178.59 2dxa n GLN 43 N -3.04 0.93 -4.06 3.56 7.27 0.01 -4.79 117.38 117.26 2dxa n GLN 43 Ca 0.03 -0.77 -0.35 0.00 0.07 0.00 0.00 57.00 55.99 2dxa n GLN 43 Cb 0.48 -1.48 -0.11 0.00 2.41 0.00 0.00 30.24 31.54 2dxa n GLN 43 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2dxa s VAL 44 N -2.60 4.50 -0.05 1.69 1.01 -1.13 -1.53 120.40 122.28 2dxa s VAL 44 Ca 0.16 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.06 2dxa s VAL 44 Cb 0.18 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 2dxa s VAL 44 CO 0.64 0.45 -0.21 -0.31 0.00 0.00 0.00 175.10 175.67 2dxa s TYR 45 N 0.58 2.53 0.17 5.22 2.02 0.39 -0.87 117.35 127.39 2dxa s TYR 45 Ca 0.02 -0.45 -0.02 0.00 -0.37 0.00 0.00 57.07 56.24 2dxa s TYR 45 Cb -0.13 -1.61 -0.05 0.00 -0.40 0.00 0.00 41.96 39.77 2dxa s TYR 45 CO 0.02 -0.04 0.37 -1.59 -1.57 0.00 0.00 175.55 172.74 2dxa s LYS 46 N -0.42 3.55 -0.23 -0.62 -2.85 0.22 -4.21 119.74 115.18 2dxa s LYS 46 Ca 0.04 -0.26 -0.03 0.00 -1.00 0.00 0.00 55.97 54.72 2dxa s LYS 46 Cb -0.12 -2.86 0.00 0.00 -2.06 0.00 0.00 37.83 32.80 2dxa s LYS 46 CO 0.02 0.44 -0.05 0.99 0.10 0.00 0.00 175.35 176.85 2dxa s THR 47 N -1.77 3.22 -0.08 3.79 2.01 -1.26 -1.68 115.64 119.86 2dxa s THR 47 Ca 0.39 -0.67 0.05 0.00 0.31 0.00 0.00 61.69 61.76 2dxa s THR 47 Cb -0.12 -2.52 -0.01 0.00 0.01 0.00 0.00 72.50 69.87 2dxa s THR 47 CO 0.28 0.34 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.55 2dxa s LEU 48 N 1.43 2.14 -0.04 4.42 1.43 0.13 -4.87 118.68 123.31 2dxa s LEU 48 Ca 0.04 -0.52 -0.15 0.00 -1.03 0.00 0.00 54.13 52.47 2dxa s LEU 48 Cb -0.15 -1.41 -0.05 0.00 0.03 0.00 0.00 46.19 44.61 2dxa s LEU 48 CO -0.04 0.20 0.41 -0.76 0.23 0.00 0.00 176.35 176.39 2dxa s LEU 49 N 0.11 4.40 0.12 1.79 1.02 -1.26 -0.77 118.68 124.10 2dxa s LEU 49 Ca -0.11 0.88 0.11 0.00 0.02 0.00 0.00 54.13 55.02 2dxa s LEU 49 Cb -0.16 -2.58 -0.04 0.00 0.02 0.00 0.00 46.19 43.43 2dxa s LEU 49 CO 0.06 0.23 -0.26 0.68 0.02 0.00 0.00 176.35 177.08 2dxa s VAL 50 N -0.52 2.18 -0.15 -1.59 -7.23 -0.21 -1.25 120.40 111.63 2dxa s VAL 50 Ca 0.23 -1.71 -0.13 0.00 -1.81 0.00 0.00 61.98 58.56 2dxa s VAL 50 Cb -0.16 -1.93 -0.05 0.00 0.56 0.00 0.00 36.38 34.80 2dxa s VAL 50 CO 0.12 0.08 0.27 0.00 -0.31 0.00 0.00 175.10 175.26 2dxa s ALA 51 N -1.06 3.63 -0.09 1.32 0.00 0.69 -1.23 121.76 125.03 2dxa s ALA 51 Ca 0.13 -0.47 -0.16 0.00 0.00 0.00 0.00 51.96 51.45 2dxa s ALA 51 Cb -0.10 -2.34 -0.05 0.00 0.00 0.00 0.00 23.12 20.64 2dxa s ALA 51 CO 0.06 0.17 0.43 0.08 0.00 0.00 0.00 175.76 176.49 2dxa s VAL 52 N 0.21 5.15 -1.55 0.00 1.01 0.98 -1.58 120.40 124.62 2dxa s VAL 52 Ca 0.16 0.86 -0.12 0.00 0.00 0.00 0.00 61.98 62.88 2dxa s VAL 52 Cb -0.13 -3.76 0.09 0.00 0.00 0.00 0.00 36.38 32.58 2dxa s VAL 52 CO 0.04 0.41 0.82 0.59 0.00 0.00 0.00 175.10 176.96 2dxa n ASN 53 N 3.09 -3.36 0.00 3.32 3.02 0.20 -1.62 115.26 119.91 2dxa n ASN 53 Ca -0.10 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 2dxa n ASN 53 Cb 0.52 -3.41 0.00 0.00 -0.61 0.00 0.00 39.78 36.28 2dxa n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dxa n GLY 54 N -1.62 0.42 0.89 7.41 0.00 -1.26 -5.01 105.19 106.01 2dxa n GLY 54 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 2dxa n GLY 54 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dxa n ASP 55 N -0.24 1.02 0.00 1.61 -0.08 -0.64 -5.09 116.55 113.13 2dxa n ASP 55 Ca 0.00 -1.40 0.00 0.00 -1.51 0.00 0.00 54.79 51.88 2dxa n ASP 55 Cb 0.12 -0.05 0.00 0.00 2.34 0.00 0.00 41.12 43.54 2dxa n ASP 55 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2dxa n LYS 57 N -1.00 0.00 -3.53 -0.67 5.02 -1.26 -3.77 118.16 112.95 2dxa n LYS 57 Ca 0.01 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.89 2dxa n LYS 57 Cb 0.14 -0.02 -0.09 0.00 -0.02 0.00 0.00 35.03 35.04 2dxa n LYS 57 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2dxa s HIS 58 N 0.00 3.35 0.17 2.13 2.46 -1.26 -5.06 115.29 117.07 2dxa s HIS 58 Ca 0.00 -1.54 0.09 0.00 0.47 0.00 0.00 55.06 54.07 2dxa s HIS 58 Cb 0.00 -3.26 -0.04 0.00 -0.13 0.00 0.00 32.58 29.15 2dxa s HIS 58 CO 0.00 -0.91 -0.11 -0.51 -2.47 0.00 0.00 174.74 170.74 2dxa s LEU 59 N 1.45 2.93 0.21 8.88 1.43 -1.26 -0.02 118.68 132.30 2dxa s LEU 59 Ca 0.04 -0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 52.56 2dxa s LEU 59 Cb -0.25 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 2dxa s LEU 59 CO 0.02 0.12 0.15 0.00 0.23 0.00 0.00 176.35 176.87 2dxa s ALA 60 N -1.60 1.18 -0.05 4.21 0.00 -0.36 -4.52 121.76 120.62 2dxa s ALA 60 Ca 0.24 -1.71 0.05 0.00 0.00 0.00 0.00 51.96 50.54 2dxa s ALA 60 Cb -0.09 1.39 -0.01 0.00 0.00 0.00 0.00 23.12 24.41 2dxa s ALA 60 CO 0.14 -0.60 -0.21 0.08 0.00 0.00 0.00 175.76 175.17 2dxa s VAL 61 N -4.10 1.71 -0.08 0.00 1.01 0.41 -1.04 120.40 118.30 2dxa s VAL 61 Ca 0.39 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.54 2dxa s VAL 61 Cb 0.06 -1.46 -0.00 0.00 0.00 0.00 0.00 36.38 34.99 2dxa s VAL 61 CO 0.13 0.48 -0.24 0.00 0.00 0.00 0.00 175.10 175.47 2dxa s ALA 62 N -0.05 2.15 -0.25 5.51 0.00 0.05 -0.70 121.76 128.48 2dxa s ALA 62 Ca -0.04 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 50.92 2dxa s ALA 62 Cb -0.12 -0.76 0.03 0.00 0.00 0.00 0.00 23.12 22.27 2dxa s ALA 62 CO 0.03 0.33 -0.06 0.08 0.00 0.00 0.00 175.76 176.14 2dxa s VAL 63 N 0.16 2.86 0.04 0.00 1.01 -0.03 -0.69 120.40 123.75 2dxa s VAL 63 Ca -0.13 -1.03 -0.03 0.00 0.00 0.00 0.00 61.98 60.79 2dxa s VAL 63 Cb -0.16 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 2dxa s VAL 63 CO 0.07 0.20 0.03 0.28 0.00 0.00 0.00 175.10 175.68 2dxa s THR 64 N 1.32 0.15 0.53 3.92 -1.32 -0.68 -1.12 115.64 118.44 2dxa s THR 64 Ca 0.00 -1.23 -0.22 0.00 -1.21 0.00 0.00 61.69 59.03 2dxa s THR 64 Cb -0.17 -0.89 -0.05 0.00 -1.51 0.00 0.00 72.50 69.88 2dxa s THR 64 CO -0.05 -0.68 1.37 -2.84 -2.21 0.00 0.00 174.62 170.21 2dxa s PRO 65 N -2.65 3.25 0.39 7.08 0.02 -1.26 -0.61 135.00 141.21 2dxa s PRO 65 Ca -0.05 2.26 0.28 0.00 0.02 0.00 0.00 61.00 63.51 2dxa s PRO 65 Cb -0.01 -2.33 1.16 0.00 0.02 0.00 0.00 34.50 33.34 2dxa s PRO 65 CO -0.05 -1.11 1.84 -0.39 -0.33 0.00 0.00 177.00 176.95 2dxa h VAL 66 N 1.61 0.00 0.00 3.83 -1.51 -0.97 -2.67 116.25 116.53 2dxa h VAL 66 Ca -0.51 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.61 2dxa h VAL 66 Cb 1.29 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 31.65 2dxa h VAL 66 CO 0.58 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.92 2dxa n ALA 67 N -1.91 1.33 -3.00 5.19 0.00 -1.06 -4.86 120.51 116.21 2dxa n ALA 67 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2dxa n ALA 67 Cb 0.26 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2dxa n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dxa n GLY 68 N -0.74 3.70 3.91 0.00 0.00 -1.01 -4.81 105.19 106.24 2dxa n GLY 68 Ca 0.02 -1.25 -0.23 0.00 0.00 0.00 0.00 46.02 44.56 2dxa n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dxa s GLN 69 N -0.45 2.37 -0.03 1.61 1.11 0.19 -4.89 119.66 119.56 2dxa s GLN 69 Ca 0.00 -1.78 -0.14 0.00 0.01 0.00 0.00 55.36 53.46 2dxa s GLN 69 Cb 0.00 -2.29 -0.05 0.00 -1.01 0.00 0.00 33.01 29.66 2dxa s GLN 69 CO 0.00 -0.49 0.36 -1.17 0.01 0.00 0.00 175.29 174.01 2dxa s LEU 70 N -4.28 4.44 -0.58 2.90 2.96 -1.26 -0.71 118.68 122.16 2dxa s LEU 70 Ca 0.44 0.86 -0.19 0.00 -0.22 0.00 0.00 54.13 55.02 2dxa s LEU 70 Cb -0.03 -2.50 0.09 0.00 0.50 0.00 0.00 46.19 44.26 2dxa s LEU 70 CO 0.26 0.31 0.69 -0.62 -1.32 0.00 0.00 176.35 175.68 2dxa s ASP 71 N -0.92 6.19 0.39 3.68 -1.08 0.34 -4.74 116.67 120.53 2dxa s ASP 71 Ca 0.22 -1.34 0.06 0.00 -0.52 0.00 0.00 52.55 50.97 2dxa s ASP 71 Cb -0.16 -2.30 0.78 0.00 -1.46 0.00 0.00 42.92 39.78 2dxa s ASP 71 CO 0.11 -1.07 2.03 -0.07 0.52 0.00 0.00 175.17 176.69 2dxa h LEU 72 N 9.93 0.54 -0.77 -1.34 3.38 -1.92 -1.55 115.31 123.58 2dxa h LEU 72 Ca -0.29 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.54 2dxa h LEU 72 Cb 1.09 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 2dxa h LEU 72 CO 1.08 0.41 -0.31 0.11 0.09 0.00 0.00 178.44 179.81 2dxa h LYS 73 N 0.63 0.57 -0.22 1.13 1.57 -1.91 -0.65 116.57 117.69 2dxa h LYS 73 Ca 0.17 -0.25 -0.14 0.00 -1.87 0.00 0.00 60.65 58.56 2dxa h LYS 73 Cb -0.04 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2dxa h LYS 73 CO -0.03 0.82 -0.43 0.87 -0.57 0.00 0.00 179.45 180.10 2dxa h LYS 74 N 0.49 0.55 -0.36 3.15 1.57 -1.68 -1.12 116.57 119.17 2dxa h LYS 74 Ca 0.06 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 2dxa h LYS 74 Cb 0.79 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 2dxa h LYS 74 CO 0.06 0.88 0.10 0.28 -0.57 0.00 0.00 179.45 180.20 2dxa h VAL 75 N 0.45 1.22 -0.61 0.50 2.07 -0.96 -1.49 116.25 117.42 2dxa h VAL 75 Ca 0.03 -0.72 0.03 0.00 0.82 0.00 0.00 66.70 66.86 2dxa h VAL 75 Cb 0.94 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 2dxa h VAL 75 CO 0.08 0.25 0.37 0.00 0.02 0.00 0.00 177.57 178.29 2dxa h ALA 76 N 0.94 0.79 -0.92 1.67 0.00 -0.92 -1.31 119.26 119.52 2dxa h ALA 76 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2dxa h ALA 76 Cb 0.28 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2dxa h ALA 76 CO -0.00 0.12 0.58 -0.22 0.00 0.00 0.00 179.25 179.73 2dxa h LYS 77 N 0.74 1.23 -0.02 0.00 3.64 -1.05 0.76 116.57 121.87 2dxa h LYS 77 Ca 0.24 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.45 2dxa h LYS 77 Cb 0.02 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 2dxa h LYS 77 CO -0.10 0.83 -0.39 0.00 -2.27 0.00 0.00 179.45 177.52 2dxa h ALA 78 N 1.32 1.32 -0.00 5.00 0.00 -0.48 -2.57 119.26 123.85 2dxa h ALA 78 Ca 0.33 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2dxa h ALA 78 Cb -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2dxa h ALA 78 CO -0.07 0.51 -0.42 1.28 0.00 0.00 0.00 179.25 180.55 2dxa n LEU 79 N -4.07 0.53 -0.29 0.00 4.77 -0.57 -4.93 117.00 112.45 2dxa n LEU 79 Ca -0.02 0.01 -0.04 0.00 -0.03 0.00 0.00 56.01 55.93 2dxa n LEU 79 Cb 0.43 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 2dxa n LEU 79 CO 0.39 0.12 -0.04 0.61 -1.33 0.00 0.00 177.39 177.15 2dxa n GLY 80 N 1.47 0.59 3.94 -0.72 0.00 -0.15 -5.03 105.19 105.29 2dxa n GLY 80 Ca 0.07 -0.89 -0.25 0.00 0.00 0.00 0.00 46.02 44.94 2dxa n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dxa s ALA 81 N -2.14 3.80 0.18 4.61 0.00 0.08 -5.01 121.76 123.28 2dxa s ALA 81 Ca 0.00 -0.90 -0.07 0.00 0.00 0.00 0.00 51.96 50.99 2dxa s ALA 81 Cb 0.00 -2.00 0.08 0.00 0.00 0.00 0.00 23.12 21.20 2dxa s ALA 81 CO 0.00 0.28 1.55 0.87 0.00 0.00 0.00 175.76 178.45 2dxa h LYS 82 N 1.53 0.82 -2.31 0.00 1.57 -1.96 -3.39 116.57 112.83 2dxa h LYS 82 Ca -0.49 -0.40 0.07 0.00 -1.87 0.00 0.00 60.65 57.96 2dxa h LYS 82 Cb 1.20 -0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.35 2dxa h LYS 82 CO 0.65 1.03 0.43 -1.59 -0.57 0.00 0.00 179.45 179.40 2dxa s LYS 83 N -4.43 0.90 0.10 3.15 0.00 -1.26 -4.96 119.74 113.23 2dxa s LYS 83 Ca -0.10 -0.24 0.01 0.00 0.00 0.00 0.00 55.97 55.64 2dxa s LYS 83 Cb 0.12 0.41 -0.04 0.00 0.00 0.00 0.00 37.83 38.32 2dxa s LYS 83 CO 0.86 -0.37 -0.03 0.14 0.00 0.00 0.00 175.35 175.94 2dxa s VAL 84 N -2.87 0.50 0.00 1.79 -7.23 -1.26 -0.63 120.40 110.70 2dxa s VAL 84 Ca 0.02 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 2dxa s VAL 84 Cb -0.01 -1.73 0.00 0.00 0.56 0.00 0.00 36.38 35.20 2dxa s VAL 84 CO -0.07 -0.82 0.00 -1.84 -0.31 0.00 0.00 175.10 172.06 2dxa n GLU 85 N -0.03 0.00 -4.30 4.82 0.28 -0.61 -4.87 120.64 115.93 2dxa n GLU 85 Ca -0.11 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.68 2dxa n GLU 85 Cb 0.61 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.37 2dxa n GLU 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2dxa s ALA 87 N -1.64 1.81 0.43 -1.84 0.00 -0.38 -0.22 121.76 119.92 2dxa s ALA 87 Ca 0.00 -1.40 -0.24 0.00 0.00 0.00 0.00 51.96 50.32 2dxa s ALA 87 Cb 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 23.12 22.89 2dxa s ALA 87 CO 0.00 0.20 1.15 -0.51 0.00 0.00 0.00 175.76 176.59 2dxa s ASP 88 N -2.53 6.40 0.00 0.00 1.01 -1.26 -4.84 116.67 115.45 2dxa s ASP 88 Ca 0.13 2.27 0.00 0.00 0.71 0.00 0.00 52.55 55.66 2dxa s ASP 88 Cb -0.06 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.27 2dxa s ASP 88 CO 0.05 -0.75 0.00 -2.65 0.21 0.00 0.00 175.17 172.03 2dxa n PRO 89 N -0.21 0.00 0.00 8.23 -0.02 -1.26 -0.98 135.00 140.76 2dxa n PRO 89 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 2dxa n PRO 89 Cb 0.48 -1.28 0.00 0.00 -0.02 0.00 0.00 33.50 32.67 2dxa n PRO 89 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2dxa n VAL 91 N 0.91 0.00 -0.21 -1.45 0.31 -1.26 -0.97 118.33 115.66 2dxa n VAL 91 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 2dxa n VAL 91 Cb 0.00 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 32.96 2dxa n VAL 91 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dxa h ALA 92 N 0.00 0.76 -0.57 3.52 0.00 -1.38 -1.19 119.26 120.40 2dxa h ALA 92 Ca 0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2dxa h ALA 92 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2dxa h ALA 92 CO 0.00 0.30 -0.01 1.96 0.00 0.00 0.00 179.25 181.50 2dxa h GLN 93 N 0.81 1.01 -0.37 0.00 4.20 -1.28 -1.64 115.11 117.84 2dxa h GLN 93 Ca 0.21 -0.33 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 2dxa h GLN 93 Cb 0.08 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2dxa h GLN 93 CO -0.03 1.01 0.07 -0.09 -0.67 0.00 0.00 178.83 179.11 2dxa h ARG 94 N 0.90 0.61 -0.40 1.46 2.43 -1.74 0.13 114.38 117.77 2dxa h ARG 94 Ca 0.16 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2dxa h ARG 94 Cb 0.56 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 2dxa h ARG 94 CO 0.03 0.67 0.07 1.03 -1.51 0.00 0.00 179.97 180.26 2dxa h SER 95 N 0.46 0.63 1.06 -3.80 0.87 -1.19 -3.29 113.55 108.29 2dxa h SER 95 Ca 0.11 -0.25 -0.17 0.00 -1.23 0.00 0.00 61.79 60.25 2dxa h SER 95 Cb 0.35 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 2dxa h SER 95 CO 0.01 0.72 -0.99 0.71 -0.53 0.00 0.00 176.83 176.75 2dxa h THR 96 N 0.51 1.00 0.00 2.23 1.35 -1.26 -1.82 112.91 114.93 2dxa h THR 96 Ca 0.12 -2.54 0.00 0.00 -0.55 0.00 0.00 66.41 63.44 2dxa h THR 96 Cb 0.36 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 2dxa h THR 96 CO 0.01 0.57 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 2dxa n GLY 97 N 1.34 0.61 3.83 5.82 0.00 0.03 -0.75 105.19 116.06 2dxa n GLY 97 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 2dxa n GLY 97 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dxa s TYR 98 N -2.17 1.71 0.04 1.61 2.02 -1.22 -4.96 117.35 114.38 2dxa s TYR 98 Ca 0.00 -0.93 0.06 0.00 -0.37 0.00 0.00 57.07 55.83 2dxa s TYR 98 Cb 0.00 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.80 2dxa s TYR 98 CO 0.00 -0.08 -0.13 -0.51 -1.57 0.00 0.00 175.55 173.26 2dxa s LEU 99 N -4.06 2.87 0.30 -1.29 1.43 -1.26 -4.49 118.68 112.18 2dxa s LEU 99 Ca 0.15 -0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 52.63 2dxa s LEU 99 Cb -0.00 -1.68 -0.13 0.00 0.03 0.00 0.00 46.19 44.41 2dxa s LEU 99 CO 0.09 0.25 1.33 0.52 0.23 0.00 0.00 176.35 178.77 2dxa n VAL 100 N 1.36 1.55 0.00 -1.59 0.31 -1.26 -1.02 118.33 117.68 2dxa n VAL 100 Ca -0.15 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 2dxa n VAL 100 Cb 0.52 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 2dxa n VAL 100 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dxa n GLY 101 N 1.39 2.17 2.80 2.92 0.00 -1.26 -4.85 105.19 108.37 2dxa n GLY 101 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 2dxa n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dxa n GLY 102 N -1.93 1.83 3.58 -0.02 0.00 -0.19 -4.66 105.19 103.80 2dxa n GLY 102 Ca 0.00 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 2dxa n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dxa s ILE 103 N -3.04 4.82 0.26 -0.61 1.01 -1.20 -3.60 121.20 118.84 2dxa s ILE 103 Ca 0.24 0.76 -0.09 0.00 0.00 0.00 0.00 60.65 61.56 2dxa s ILE 103 Cb 0.35 -4.13 -0.07 0.00 0.01 0.00 0.00 42.46 38.62 2dxa s ILE 103 CO -0.06 -0.35 0.57 -0.55 0.00 0.00 0.00 174.94 174.56 2dxa s SER 104 N 1.79 6.59 0.25 3.58 0.15 -1.26 -4.44 113.70 120.36 2dxa s SER 104 Ca 0.28 0.91 0.26 0.00 0.70 0.00 0.00 55.95 58.09 2dxa s SER 104 Cb -0.14 -2.22 0.84 0.00 -1.71 0.00 0.00 66.02 62.78 2dxa s SER 104 CO 0.15 -0.13 1.76 1.55 1.20 0.00 0.00 173.24 177.77 2dxa h PRO 105 N 2.26 0.00 -6.03 5.44 0.13 -1.96 -3.43 132.00 128.41 2dxa h PRO 105 Ca -0.47 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.01 2dxa h PRO 105 Cb 1.17 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 2dxa h PRO 105 CO 0.68 0.00 -0.57 -0.51 -0.23 0.00 0.00 178.00 177.37 2dxa s LEU 106 N -4.71 3.92 -1.06 1.56 1.43 -1.26 -4.62 118.68 113.94 2dxa s LEU 106 Ca 0.08 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 2dxa s LEU 106 Cb 0.11 -2.38 0.00 0.00 0.03 0.00 0.00 46.19 43.95 2dxa s LEU 106 CO 0.55 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.98 2dxa n GLY 107 N 0.95 1.15 3.76 -3.19 0.00 -1.26 -4.01 105.19 102.58 2dxa n GLY 107 Ca -0.11 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 44.97 2dxa n GLY 107 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dxa s GLN 108 N -2.82 3.46 0.19 1.61 -0.21 -1.26 -4.62 119.66 116.01 2dxa s GLN 108 Ca 0.00 1.98 -0.12 0.00 0.02 0.00 0.00 55.36 57.24 2dxa s GLN 108 Cb 0.00 -2.33 0.22 0.00 1.00 0.00 0.00 33.01 31.90 2dxa s GLN 108 CO 0.00 -0.85 1.72 -0.22 -2.12 0.00 0.00 175.29 173.82 2dxa h LYS 109 N 1.75 0.27 -5.14 2.91 3.64 -1.00 -3.36 116.57 115.64 2dxa h LYS 109 Ca -0.50 -0.02 -0.65 0.00 -1.27 0.00 0.00 60.65 58.22 2dxa h LYS 109 Cb 1.27 -0.06 -0.24 0.00 -0.41 0.00 0.00 32.23 32.79 2dxa h LYS 109 CO 0.59 0.18 -0.69 0.15 -2.27 0.00 0.00 179.45 177.41 2dxa s LYS 110 N -6.13 3.55 -0.05 1.90 -0.14 -0.68 -5.04 119.74 113.15 2dxa s LYS 110 Ca -0.13 -0.56 -0.27 0.00 -1.36 0.00 0.00 55.97 53.65 2dxa s LYS 110 Cb 0.16 -3.00 -0.03 0.00 -1.68 0.00 0.00 37.83 33.28 2dxa s LYS 110 CO 0.73 0.02 0.85 1.03 -0.76 0.00 0.00 175.35 177.22 2dxa s ARG 111 N 0.96 4.47 0.22 1.68 0.52 -1.26 -4.80 118.95 120.73 2dxa s ARG 111 Ca 0.01 1.16 0.09 0.00 -0.52 0.00 0.00 55.73 56.46 2dxa s ARG 111 Cb -0.14 -3.47 -0.05 0.00 0.52 0.00 0.00 34.95 31.80 2dxa s ARG 111 CO 0.01 -0.06 -0.16 -0.51 0.02 0.00 0.00 175.30 174.60 2dxa s LEU 112 N 1.14 2.55 0.26 2.53 1.43 -1.26 -5.10 118.68 120.23 2dxa s LEU 112 Ca 0.44 -1.00 -0.31 0.00 -1.03 0.00 0.00 54.13 52.23 2dxa s LEU 112 Cb -0.19 -0.80 -0.12 0.00 0.03 0.00 0.00 46.19 45.11 2dxa s LEU 112 CO 0.22 -0.10 1.58 -2.65 0.23 0.00 0.00 176.35 175.63 2dxa n PRO 113 N -0.35 2.55 -5.03 1.29 -0.02 -1.26 -4.73 135.00 127.44 2dxa n PRO 113 Ca -0.08 0.91 -0.29 0.00 -2.02 0.00 0.00 63.50 62.02 2dxa n PRO 113 Cb 0.60 -2.68 -0.16 0.00 -0.02 0.00 0.00 33.50 31.23 2dxa n PRO 113 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2dxa s THR 114 N 0.28 1.73 -0.11 3.45 2.01 -1.26 -0.44 115.64 121.29 2dxa s THR 114 Ca 0.68 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.82 2dxa s THR 114 Cb -0.54 -1.49 -0.01 0.00 0.01 0.00 0.00 72.50 70.47 2dxa s THR 114 CO 0.45 0.49 -0.15 -0.63 -0.69 0.00 0.00 174.62 174.09 2dxa s ILE 115 N 0.10 2.91 -0.10 1.82 -1.09 0.13 -1.74 121.20 123.23 2dxa s ILE 115 Ca -0.08 -0.72 0.02 0.00 -2.23 0.00 0.00 60.65 57.64 2dxa s ILE 115 Cb -0.14 -2.20 -0.01 0.00 -1.58 0.00 0.00 42.46 38.53 2dxa s ILE 115 CO 0.04 0.54 -0.18 -0.63 -1.23 0.00 0.00 174.94 173.48 2dxa s ILE 116 N 0.20 2.68 -0.04 2.92 1.01 -0.27 -0.85 121.20 126.85 2dxa s ILE 116 Ca -0.09 -0.82 -0.35 0.00 0.00 0.00 0.00 60.65 59.39 2dxa s ILE 116 Cb -0.15 -2.07 -0.13 0.00 0.01 0.00 0.00 42.46 40.11 2dxa s ILE 116 CO 0.05 0.55 1.74 -0.67 0.00 0.00 0.00 174.94 176.62 2dxa n ASP 117 N 3.20 3.07 -0.30 3.58 2.03 -0.28 -1.73 116.55 126.13 2dxa n ASP 117 Ca -0.18 1.03 0.13 0.00 0.52 0.00 0.00 54.79 56.29 2dxa n ASP 117 Cb 0.53 -1.34 0.31 0.00 -0.72 0.00 0.00 41.12 39.89 2dxa n ASP 117 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dxa h ALA 118 N 7.73 1.40 0.00 -1.67 0.00 -1.34 -1.38 119.26 124.00 2dxa h ALA 118 Ca -0.47 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2dxa h ALA 118 Cb 1.28 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2dxa h ALA 118 CO 0.92 -0.39 0.03 -2.30 0.00 0.00 0.00 179.25 177.51 2dxa n PRO 119 N -5.10 0.10 0.08 0.00 -0.02 -1.26 -1.65 135.00 127.15 2dxa n PRO 119 Ca 0.22 0.59 0.17 0.00 -2.02 0.00 0.00 63.50 62.46 2dxa n PRO 119 Cb 0.67 -1.86 0.70 0.00 -0.02 0.00 0.00 33.50 33.00 2dxa n PRO 119 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dxa h ALA 120 N 1.91 2.30 0.00 3.55 0.00 -1.61 -0.92 119.26 124.49 2dxa h ALA 120 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2dxa h ALA 120 Cb 0.06 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2dxa h ALA 120 CO 0.00 -0.47 -0.03 1.96 0.00 0.00 0.00 179.25 180.71 2dxa h GLN 121 N 0.00 0.00 -0.01 0.00 4.20 -1.54 -3.00 115.11 114.76 2dxa h GLN 121 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2dxa h GLN 121 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 2dxa h GLN 121 CO -0.00 0.03 -0.19 0.39 -0.67 0.00 0.00 178.83 178.39 2dxa n GLU 122 N -3.27 0.80 -3.65 1.46 -0.58 -0.35 -4.83 120.64 110.22 2dxa n GLU 122 Ca -0.02 -0.40 -0.29 0.00 -0.42 0.00 0.00 57.16 56.04 2dxa n GLU 122 Cb 0.18 -1.49 -0.04 0.00 -0.57 0.00 0.00 31.44 29.53 2dxa n GLU 122 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2dxa s PHE 123 N -2.48 3.48 0.15 -0.32 0.08 -1.13 -5.00 117.98 112.76 2dxa s PHE 123 Ca 0.27 0.44 -0.11 0.00 0.12 0.00 0.00 56.93 57.65 2dxa s PHE 123 Cb 0.20 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.69 2dxa s PHE 123 CO 0.50 0.37 1.50 0.00 -0.10 0.00 0.00 175.22 177.49 2dxa h ALA 124 N 2.23 0.60 -2.36 5.36 0.00 -1.88 -3.44 119.26 119.77 2dxa h ALA 124 Ca -0.47 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 53.89 2dxa h ALA 124 Cb 1.18 -0.13 -0.15 0.00 0.00 0.00 0.00 17.79 18.69 2dxa h ALA 124 CO 0.69 0.68 -0.55 0.95 0.00 0.00 0.00 179.25 181.02 2dxa s THR 125 N -4.47 0.18 0.24 0.00 -4.23 -1.26 -4.31 115.64 101.78 2dxa s THR 125 Ca -0.11 -1.56 0.04 0.00 -1.18 0.00 0.00 61.69 58.88 2dxa s THR 125 Cb 0.11 -1.48 -0.05 0.00 1.34 0.00 0.00 72.50 72.42 2dxa s THR 125 CO 0.88 -0.82 -0.01 0.27 -0.54 0.00 0.00 174.62 174.40 2dxa s ILE 126 N -3.90 1.09 -0.10 2.99 -4.36 0.33 -4.92 121.20 112.33 2dxa s ILE 126 Ca 0.07 -2.04 0.01 0.00 -0.26 0.00 0.00 60.65 58.43 2dxa s ILE 126 Cb 0.07 -2.36 -0.02 0.00 1.25 0.00 0.00 42.46 41.40 2dxa s ILE 126 CO -0.10 -0.32 -0.13 -0.31 0.24 0.00 0.00 174.94 174.32 2dxa s TYR 127 N -3.38 2.78 0.15 1.37 2.02 -0.59 -1.36 117.35 118.35 2dxa s TYR 127 Ca 0.29 -0.45 0.02 0.00 -0.37 0.00 0.00 57.07 56.56 2dxa s TYR 127 Cb 0.06 -1.77 -0.04 0.00 -0.40 0.00 0.00 41.96 39.80 2dxa s TYR 127 CO 0.09 -0.05 -0.04 0.14 -1.57 0.00 0.00 175.55 174.12 2dxa s VAL 128 N -0.06 0.79 0.43 0.71 -7.23 -0.17 -0.46 120.40 114.41 2dxa s VAL 128 Ca -0.02 -1.99 -0.26 0.00 -1.81 0.00 0.00 61.98 57.90 2dxa s VAL 128 Cb -0.14 -1.96 -0.09 0.00 0.56 0.00 0.00 36.38 34.76 2dxa s VAL 128 CO 0.04 -0.63 1.42 -0.55 -0.31 0.00 0.00 175.10 175.07 2dxa s SER 129 N -3.14 6.01 0.00 4.85 0.15 -1.26 -0.48 113.70 119.83 2dxa s SER 129 Ca 0.19 2.91 0.23 0.00 0.70 0.00 0.00 55.95 59.98 2dxa s SER 129 Cb 0.05 -2.65 0.80 0.00 -1.71 0.00 0.00 66.02 62.51 2dxa s SER 129 CO 0.01 -1.08 1.58 0.61 1.20 0.00 0.00 173.24 175.56 2dxa n GLY 130 N 0.57 0.28 0.00 9.45 0.00 0.55 -4.36 105.19 111.68 2dxa n GLY 130 Ca 0.04 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2dxa n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dxa n GLY 131 N 1.16 0.65 3.40 -0.02 0.00 -1.25 -4.48 105.19 104.65 2dxa n GLY 131 Ca 0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.04 2dxa n GLY 131 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dxa s LYS 132 N -0.90 1.00 0.37 1.61 -2.85 -1.24 -4.82 119.74 112.92 2dxa s LYS 132 Ca 0.00 -0.14 -0.28 0.00 -1.00 0.00 0.00 55.97 54.55 2dxa s LYS 132 Cb 0.00 0.46 -0.11 0.00 -2.06 0.00 0.00 37.83 36.11 2dxa s LYS 132 CO 0.00 -0.34 1.43 0.54 0.10 0.00 0.00 175.35 177.08 2dxa n ARG 133 N 0.60 2.53 -1.00 1.78 5.12 -1.26 -2.56 116.66 121.86 2dxa n ARG 133 Ca -0.19 0.89 0.00 0.00 -1.93 0.00 0.00 57.85 56.62 2dxa n ARG 133 Cb 0.59 -2.58 0.00 0.00 -1.16 0.00 0.00 32.46 29.32 2dxa n ARG 133 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dxa n GLY 134 N 0.55 0.62 2.67 -0.13 0.00 -1.26 -4.97 105.19 102.67 2dxa n GLY 134 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 2dxa n GLY 134 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dxa s LEU 135 N 0.00 0.53 0.32 0.99 0.20 -1.06 -1.60 118.68 118.05 2dxa s LEU 135 Ca 0.00 -0.45 0.10 0.00 0.69 0.00 0.00 54.13 54.47 2dxa s LEU 135 Cb 0.00 -0.33 -0.06 0.00 -0.43 0.00 0.00 46.19 45.37 2dxa s LEU 135 CO 0.00 -0.30 -0.13 -1.81 -0.29 0.00 0.00 176.35 173.82 2dxa s ASP 136 N 2.06 3.62 -0.08 3.68 1.01 -0.34 -0.33 116.67 126.29 2dxa s ASP 136 Ca 0.02 -1.14 0.04 0.00 0.71 0.00 0.00 52.55 52.18 2dxa s ASP 136 Cb -0.15 -0.32 0.00 0.00 1.01 0.00 0.00 42.92 43.46 2dxa s ASP 136 CO -0.07 -0.13 -0.20 -0.63 0.21 0.00 0.00 175.17 174.35 2dxa s ILE 137 N -2.60 1.72 -0.21 0.77 1.01 0.36 -1.06 121.20 121.19 2dxa s ILE 137 Ca 0.31 -0.83 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 2dxa s ILE 137 Cb 0.00 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 2dxa s ILE 137 CO 0.16 0.48 0.06 -0.70 0.00 0.00 0.00 174.94 174.94 2dxa s GLU 138 N 0.35 3.78 0.19 2.79 2.12 0.38 -1.00 118.70 127.30 2dxa s GLU 138 Ca -0.14 -0.43 -0.19 0.00 0.36 0.00 0.00 54.97 54.56 2dxa s GLU 138 Cb -0.16 -3.24 0.04 0.00 0.26 0.00 0.00 34.13 31.02 2dxa s GLU 138 CO 0.06 0.03 0.55 -0.48 -0.54 0.00 0.00 175.26 174.88 2dxa s LEU 139 N 1.02 -0.07 0.26 2.70 2.34 -0.46 -1.00 118.68 123.47 2dxa s LEU 139 Ca 0.04 -0.37 -0.30 0.00 0.06 0.00 0.00 54.13 53.56 2dxa s LEU 139 Cb -0.14 2.27 -0.10 0.00 -0.56 0.00 0.00 46.19 47.67 2dxa s LEU 139 CO 0.03 -1.05 1.31 0.00 -1.06 0.00 0.00 176.35 175.58 2dxa s ALA 140 N -3.85 3.52 0.46 1.48 0.00 -1.26 -0.51 121.76 121.60 2dxa s ALA 140 Ca 0.07 1.17 0.12 0.00 0.00 0.00 0.00 51.96 53.33 2dxa s ALA 140 Cb -0.01 -3.48 1.06 0.00 0.00 0.00 0.00 23.12 20.69 2dxa s ALA 140 CO -0.05 -0.57 2.07 0.00 0.00 0.00 0.00 175.76 177.22 2dxa h ALA 141 N 4.51 1.90 -0.12 0.00 0.00 -1.81 -1.22 119.26 122.53 2dxa h ALA 141 Ca -0.46 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 2dxa h ALA 141 Cb 1.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2dxa h ALA 141 CO 0.72 0.06 -0.28 0.78 0.00 0.00 0.00 179.25 180.54 2dxa h GLY 142 N 0.31 0.24 0.97 0.00 0.00 -1.91 0.28 103.07 102.97 2dxa h GLY 142 Ca 0.12 -0.18 -0.16 0.00 0.00 0.00 0.00 47.33 47.11 2dxa h GLY 142 CO -0.03 0.17 -0.52 -0.55 0.00 0.00 0.00 176.54 175.61 2dxa h ASP 143 N 0.20 0.73 -0.45 0.19 3.32 -1.63 -1.71 116.42 117.07 2dxa h ASP 143 Ca 0.03 -0.60 0.02 0.00 0.02 0.00 0.00 57.03 56.49 2dxa h ASP 143 Cb 0.60 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 2dxa h ASP 143 CO 0.04 1.20 0.28 0.25 -1.72 0.00 0.00 179.24 179.29 2dxa h LEU 144 N 0.30 0.46 -0.36 1.55 5.85 -1.11 -2.63 115.31 119.36 2dxa h LEU 144 Ca -0.02 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 2dxa h LEU 144 Cb 1.14 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 2dxa h LEU 144 CO 0.11 0.33 0.09 0.00 -0.34 0.00 0.00 178.44 178.62 2dxa h ALA 145 N 1.19 0.48 -0.15 1.25 0.00 -0.89 -2.80 119.26 118.34 2dxa h ALA 145 Ca 0.18 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2dxa h ALA 145 Cb -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2dxa h ALA 145 CO -0.07 0.15 -0.32 1.57 0.00 0.00 0.00 179.25 180.58 2dxa h LYS 146 N 0.44 0.29 -0.03 0.00 2.10 -1.22 0.15 116.57 118.29 2dxa h LYS 146 Ca 0.11 -0.11 -0.08 0.00 -2.00 0.00 0.00 60.65 58.57 2dxa h LYS 146 Cb 0.31 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.61 2dxa h LYS 146 CO 0.00 0.58 -0.35 0.82 -2.00 0.00 0.00 179.45 178.50 2dxa h ILE 147 N 0.25 1.26 -0.14 0.07 1.08 -1.39 -2.88 117.51 115.77 2dxa h ILE 147 Ca 0.03 -1.25 0.00 0.00 -0.39 0.00 0.00 64.86 63.25 2dxa h ILE 147 Cb 0.69 1.63 0.00 0.00 -3.07 0.00 0.00 36.82 36.07 2dxa h ILE 147 CO 0.05 0.36 0.00 0.18 -0.69 0.00 0.00 178.15 178.05 2dxa n LEU 148 N -4.11 2.95 -3.97 1.44 4.77 -0.84 -4.95 117.00 112.29 2dxa n LEU 148 Ca -0.02 -1.18 -0.29 0.00 -0.03 0.00 0.00 56.01 54.49 2dxa n LEU 148 Cb 0.40 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2dxa n LEU 148 CO 0.39 0.56 -0.02 -0.67 -1.33 0.00 0.00 177.39 176.31 2dxa n ASP 149 N 1.24 -2.93 -4.89 -1.43 2.03 0.38 -4.68 116.55 106.27 2dxa n ASP 149 Ca 0.14 -0.89 -0.29 0.00 0.52 0.00 0.00 54.79 54.27 2dxa n ASP 149 Cb 0.54 -3.46 0.02 0.00 -0.72 0.00 0.00 41.12 37.50 2dxa n ASP 149 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dxa s ALA 150 N -3.49 3.18 -0.05 -1.67 0.00 -0.30 -4.75 121.76 114.67 2dxa s ALA 150 Ca 0.44 -0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.07 2dxa s ALA 150 Cb -0.23 -2.85 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 2dxa s ALA 150 CO 0.86 -0.70 -0.13 0.15 0.00 0.00 0.00 175.76 175.94 2dxa s LYS 151 N -5.06 2.54 -0.05 0.00 1.02 -0.71 -4.85 119.74 112.63 2dxa s LYS 151 Ca 0.53 -0.68 -0.16 0.00 0.02 0.00 0.00 55.97 55.69 2dxa s LYS 151 Cb -0.11 -2.41 -0.05 0.00 -0.52 0.00 0.00 37.83 34.74 2dxa s LYS 151 CO 0.49 0.63 0.42 -0.06 -0.92 0.00 0.00 175.35 175.91 2dxa s PHE 152 N -0.73 3.65 0.07 3.18 0.08 -1.26 -1.11 117.98 121.85 2dxa s PHE 152 Ca 0.11 0.93 -0.26 0.00 0.12 0.00 0.00 56.93 57.83 2dxa s PHE 152 Cb -0.11 -2.37 0.07 0.00 -0.57 0.00 0.00 43.02 40.05 2dxa s PHE 152 CO 0.01 0.48 0.64 0.00 -0.10 0.00 0.00 175.22 176.24 2dxa s ALA 153 N -0.47 -1.67 -0.44 5.36 0.00 -0.70 -4.83 121.76 119.01 2dxa s ALA 153 Ca 0.24 0.84 -0.28 0.00 0.00 0.00 0.00 51.96 52.76 2dxa s ALA 153 Cb -0.16 0.51 0.01 0.00 0.00 0.00 0.00 23.12 23.48 2dxa s ALA 153 CO 0.12 -0.60 1.47 0.34 0.00 0.00 0.00 175.76 177.09 2dxa s ASP 154 N -2.09 6.21 0.00 0.00 2.15 -1.26 -0.89 116.67 120.79 2dxa s ASP 154 Ca -0.04 0.76 0.00 0.00 0.43 0.00 0.00 52.55 53.70 2dxa s ASP 154 Cb -0.01 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 2dxa s ASP 154 CO -0.03 -1.55 0.02 2.30 -0.17 0.00 0.00 175.17 175.74 2dxa n ILE 155 N 7.09 0.00 -2.17 4.11 -5.35 -1.26 -4.74 119.36 117.04 2dxa n ILE 155 Ca 0.17 -0.22 -0.32 0.00 -0.27 0.00 0.00 62.75 62.10 2dxa n ILE 155 Cb 0.48 1.04 -0.01 0.00 -1.74 0.00 0.00 39.64 39.42 2dxa n ILE 155 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2dxa s ALA 156 N -0.41 2.89 -0.31 -1.28 0.00 -1.26 -0.50 121.76 120.88 2dxa s ALA 156 Ca 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 51.96 52.23 2dxa s ALA 156 Cb 0.00 -3.18 0.10 0.00 0.00 0.00 0.00 23.12 20.04 2dxa s ALA 156 CO 0.00 -0.58 0.09 0.50 0.00 0.00 0.00 175.76 175.77 2dxa s ARG 157 N -4.14 0.76 0.00 0.00 3.52 0.11 -4.57 118.95 114.63 2dxa s ARG 157 Ca 0.61 -1.10 0.26 0.00 -0.13 0.00 0.00 55.73 55.37 2dxa s ARG 157 Cb -0.13 -2.06 0.61 0.00 -1.56 0.00 0.00 34.95 31.81 2dxa s ARG 157 CO 0.36 -0.97 1.50 -2.13 -0.81 0.00 0.00 175.30 173.24