#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2duh h LYS 3 N 0.00 0.87 -0.31 4.33 5.09 -1.92 -2.90 116.57 121.73 2duh h LYS 3 Ca 0.00 -0.05 -0.03 0.00 0.09 0.00 0.00 60.65 60.65 2duh h LYS 3 Cb 0.00 -0.20 -0.02 0.00 0.10 0.00 0.00 32.23 32.12 2duh h LYS 3 CO 0.00 0.57 0.04 0.78 -2.09 0.00 0.00 179.45 178.76 2duh h GLY 4 N 0.89 0.49 1.67 0.07 0.00 -1.72 -2.62 103.07 101.85 2duh h GLY 4 Ca 0.25 -0.26 0.05 0.00 0.00 0.00 0.00 47.33 47.36 2duh h GLY 4 CO -0.06 0.25 0.12 -2.09 0.00 0.00 0.00 176.54 174.76 2duh h GLU 5 N 0.45 0.00 0.00 4.80 4.81 -1.65 -1.44 114.58 121.55 2duh h GLU 5 Ca 0.10 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2duh h GLU 5 Cb 0.23 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 2duh h GLU 5 CO 0.00 0.00 -0.06 0.93 -0.73 0.00 0.00 179.01 179.15 2duh h GLU 6 N 0.00 0.00 0.00 1.92 5.08 -1.61 -2.37 114.58 117.60 2duh h GLU 6 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2duh h GLU 6 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2duh h GLU 6 CO -0.00 0.06 0.00 1.28 -1.00 0.00 0.00 179.01 179.35 2duh n LEU 7 N -3.25 0.00 -0.14 1.33 4.77 -0.54 -3.50 117.00 115.67 2duh n LEU 7 Ca -0.01 0.42 0.04 0.00 -0.03 0.00 0.00 56.01 56.43 2duh n LEU 7 Cb 0.27 -0.42 0.07 0.00 -2.33 0.00 0.00 43.42 41.02 2duh n LEU 7 CO 0.28 -0.17 0.55 0.49 -1.33 0.00 0.00 177.39 177.20 2duh n PHE 8 N -1.42 0.11 0.28 -1.77 3.72 -0.89 -4.69 117.46 112.79 2duh n PHE 8 Ca 0.06 -0.67 0.15 0.00 -0.05 0.00 0.00 57.45 56.94 2duh n PHE 8 Cb 0.18 -0.09 0.46 0.00 -0.94 0.00 0.00 39.48 39.09 2duh n PHE 8 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 2duh h THR 9 N 0.32 0.00 -3.56 4.37 1.35 -1.69 -3.37 112.91 110.33 2duh h THR 9 Ca 0.00 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 2duh h THR 9 Cb 0.72 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 2duh h THR 9 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 2duh n GLY 10 N 0.51 5.59 3.70 5.82 0.00 -1.26 -4.78 105.19 114.77 2duh n GLY 10 Ca 0.02 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 2duh n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2duh s VAL 11 N -0.04 4.59 -0.13 1.61 1.01 -1.26 -4.50 120.40 121.68 2duh s VAL 11 Ca 0.00 1.87 0.02 0.00 0.00 0.00 0.00 61.98 63.87 2duh s VAL 11 Cb 0.00 -4.20 -0.00 0.00 0.00 0.00 0.00 36.38 32.18 2duh s VAL 11 CO 0.00 0.08 -0.20 -0.69 0.00 0.00 0.00 175.10 174.29 2duh s VAL 12 N 1.50 2.37 0.49 2.92 1.01 -0.08 -4.96 120.40 123.65 2duh s VAL 12 Ca 0.53 -0.89 -0.23 0.00 0.00 0.00 0.00 61.98 61.38 2duh s VAL 12 Cb -0.22 -1.95 -0.07 0.00 0.00 0.00 0.00 36.38 34.14 2duh s VAL 12 CO 0.24 0.54 1.27 -2.84 0.00 0.00 0.00 175.10 174.31 2duh s PRO 13 N 0.55 3.54 -0.02 2.72 0.02 -1.26 -1.30 135.00 139.26 2duh s PRO 13 Ca -0.12 2.02 0.06 0.00 0.02 0.00 0.00 61.00 62.98 2duh s PRO 13 Cb -0.16 -2.40 -0.01 0.00 0.02 0.00 0.00 34.50 31.94 2duh s PRO 13 CO 0.04 -0.80 -0.19 0.42 -0.33 0.00 0.00 177.00 176.14 2duh s ILE 14 N -1.40 1.50 -0.02 2.83 1.01 -0.20 -0.99 121.20 123.92 2duh s ILE 14 Ca 0.66 -0.80 0.05 0.00 0.00 0.00 0.00 60.65 60.56 2duh s ILE 14 Cb -0.35 -1.26 -0.01 0.00 0.01 0.00 0.00 42.46 40.86 2duh s ILE 14 CO 0.42 0.43 -0.17 -0.76 0.00 0.00 0.00 174.94 174.85 2duh s LEU 15 N -0.35 1.99 -0.08 2.97 1.43 -0.46 -1.78 118.68 122.39 2duh s LEU 15 Ca 0.05 -0.33 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 2duh s LEU 15 Cb -0.08 -0.93 0.01 0.00 0.03 0.00 0.00 46.19 45.22 2duh s LEU 15 CO -0.00 0.19 -0.17 -0.69 0.23 0.00 0.00 176.35 175.92 2duh s VAL 16 N -0.24 1.50 -0.09 -1.59 1.01 -0.29 -1.00 120.40 119.70 2duh s VAL 16 Ca 0.03 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.32 2duh s VAL 16 Cb -0.09 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 34.98 2duh s VAL 16 CO 0.00 0.44 -0.06 -1.61 0.00 0.00 0.00 175.10 173.87 2duh s GLU 17 N 0.61 1.28 -0.03 2.72 0.41 -0.37 0.25 118.70 123.56 2duh s GLU 17 Ca -0.15 -0.18 0.05 0.00 -0.41 0.00 0.00 54.97 54.28 2duh s GLU 17 Cb -0.16 -1.35 -0.01 0.00 -1.78 0.00 0.00 34.13 30.83 2duh s GLU 17 CO 0.05 -0.21 -0.18 -1.17 -0.49 0.00 0.00 175.26 173.25 2duh s LEU 18 N 1.53 1.97 -0.10 1.80 0.20 -0.35 -0.63 118.68 123.10 2duh s LEU 18 Ca 0.00 -0.36 0.01 0.00 0.69 0.00 0.00 54.13 54.48 2duh s LEU 18 Cb -0.13 -1.00 -0.02 0.00 -0.43 0.00 0.00 46.19 44.61 2duh s LEU 18 CO -0.05 0.19 -0.14 -1.81 -0.29 0.00 0.00 176.35 174.24 2duh s ASP 19 N -0.13 3.95 0.07 3.68 -0.00 -0.59 -1.30 116.67 122.35 2duh s ASP 19 Ca -0.00 -0.30 0.02 0.00 -0.00 0.00 0.00 52.55 52.27 2duh s ASP 19 Cb -0.10 -1.36 -0.03 0.00 -0.00 0.00 0.00 42.92 41.42 2duh s ASP 19 CO 0.01 0.22 -0.08 -0.83 -0.00 0.00 0.00 175.17 174.49 2duh s GLY 20 N 0.02 0.65 -0.17 0.21 0.00 0.11 -1.17 107.32 106.97 2duh s GLY 20 Ca -0.05 -1.02 -0.04 0.00 0.00 0.00 0.00 44.72 43.61 2duh s GLY 20 CO 0.04 -1.09 0.19 -0.35 0.00 0.00 0.00 173.10 171.90 2duh s ASP 21 N -2.16 1.35 -0.24 1.64 -1.08 -0.71 -1.49 116.67 113.97 2duh s ASP 21 Ca -0.01 -0.14 0.02 0.00 -0.52 0.00 0.00 52.55 51.91 2duh s ASP 21 Cb -0.04 0.29 0.05 0.00 -1.46 0.00 0.00 42.92 41.76 2duh s ASP 21 CO -0.01 -0.31 -0.12 -0.69 0.52 0.00 0.00 175.17 174.55 2duh s VAL 22 N 2.30 2.25 -1.51 1.11 1.01 -0.48 -0.33 120.40 124.75 2duh s VAL 22 Ca 0.05 -1.38 -0.14 0.00 0.00 0.00 0.00 61.98 60.51 2duh s VAL 22 Cb -0.15 -2.21 0.10 0.00 0.00 0.00 0.00 36.38 34.12 2duh s VAL 22 CO -0.10 0.14 0.78 0.59 0.00 0.00 0.00 175.10 176.51 2duh n ASN 23 N 4.51 -4.20 0.00 3.32 4.13 -0.22 -0.96 115.26 121.85 2duh n ASN 23 Ca -0.16 -0.71 0.00 0.00 1.68 0.00 0.00 54.58 55.39 2duh n ASN 23 Cb 0.45 -3.40 0.00 0.00 -1.54 0.00 0.00 39.78 35.29 2duh n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2duh n GLY 24 N -1.46 1.50 3.59 7.41 0.00 -1.26 -5.01 105.19 109.97 2duh n GLY 24 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 2duh n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2duh s HIS 25 N -3.34 2.78 -0.02 1.61 3.76 -0.13 -5.03 115.29 114.92 2duh s HIS 25 Ca 0.00 0.64 -0.15 0.00 -0.15 0.00 0.00 55.06 55.39 2duh s HIS 25 Cb 0.00 -4.44 -0.06 0.00 1.11 0.00 0.00 32.58 29.19 2duh s HIS 25 CO 0.00 -1.33 0.42 0.15 -0.85 0.00 0.00 174.74 173.13 2duh s LYS 26 N 4.53 3.99 0.13 1.40 1.02 -1.26 -1.38 119.74 128.17 2duh s LYS 26 Ca 0.46 0.42 -0.20 0.00 0.02 0.00 0.00 55.97 56.67 2duh s LYS 26 Cb -0.07 -3.25 0.05 0.00 -0.52 0.00 0.00 37.83 34.04 2duh s LYS 26 CO 0.30 0.61 0.51 -0.59 -0.92 0.00 0.00 175.35 175.27 2duh s PHE 27 N -0.82 -0.40 0.04 3.18 -0.71 -0.55 -5.00 117.98 113.72 2duh s PHE 27 Ca 0.24 0.19 0.04 0.00 -1.04 0.00 0.00 56.93 56.35 2duh s PHE 27 Cb -0.16 0.41 -0.02 0.00 -1.21 0.00 0.00 43.02 42.04 2duh s PHE 27 CO 0.13 -0.76 -0.11 -1.12 -1.34 0.00 0.00 175.22 172.01 2duh s SER 28 N -2.65 1.30 -0.01 1.98 0.01 -1.26 -0.71 113.70 112.35 2duh s SER 28 Ca 0.01 -0.46 0.03 0.00 1.31 0.00 0.00 55.95 56.84 2duh s SER 28 Cb 0.00 -0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.17 2duh s SER 28 CO -0.11 -0.05 -0.11 -0.69 0.41 0.00 0.00 173.24 172.70 2duh s VAL 29 N -0.97 0.87 -0.08 3.43 1.01 -0.42 -1.10 120.40 123.13 2duh s VAL 29 Ca -0.02 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.55 2duh s VAL 29 Cb -0.08 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 2duh s VAL 29 CO 0.01 0.25 -0.23 -0.55 0.00 0.00 0.00 175.10 174.58 2duh s SER 30 N -0.13 3.17 0.10 3.32 0.15 -0.44 -1.21 113.70 118.67 2duh s SER 30 Ca 0.02 -0.52 0.06 0.00 0.70 0.00 0.00 55.95 56.22 2duh s SER 30 Cb -0.06 -1.19 -0.03 0.00 -1.71 0.00 0.00 66.02 63.03 2duh s SER 30 CO -0.00 0.20 -0.16 -0.83 1.20 0.00 0.00 173.24 173.64 2duh s GLY 31 N 0.12 1.07 -0.02 9.45 0.00 0.14 -0.61 107.32 117.46 2duh s GLY 31 Ca -0.12 -1.18 -0.07 0.00 0.00 0.00 0.00 44.72 43.36 2duh s GLY 31 CO 0.06 -1.21 0.14 -0.54 0.00 0.00 0.00 173.10 171.56 2duh s GLU 32 N -2.09 0.37 0.00 2.90 2.02 -0.59 -1.13 118.70 120.18 2duh s GLU 32 Ca 0.04 -0.18 0.00 0.00 0.02 0.00 0.00 54.97 54.85 2duh s GLU 32 Cb -0.08 0.16 0.00 0.00 0.10 0.00 0.00 34.13 34.31 2duh s GLU 32 CO 0.03 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.64 2duh n GLY 33 N 2.01 -0.75 3.34 -1.39 0.00 -0.73 -1.36 105.19 106.30 2duh n GLY 33 Ca -0.19 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 2duh n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2duh s GLU 34 N -0.74 1.04 0.06 1.61 -1.05 -0.50 -1.03 118.70 118.09 2duh s GLU 34 Ca 0.00 -0.52 0.07 0.00 -0.15 0.00 0.00 54.97 54.38 2duh s GLU 34 Cb 0.00 0.46 -0.03 0.00 -0.44 0.00 0.00 34.13 34.13 2duh s GLU 34 CO 0.00 -0.39 -0.20 0.20 0.95 0.00 0.00 175.26 175.81 2duh s GLY 35 N -2.45 1.14 -0.40 -3.83 0.00 -0.42 -1.87 107.32 99.50 2duh s GLY 35 Ca -0.01 -1.10 0.01 0.00 0.00 0.00 0.00 44.72 43.62 2duh s GLY 35 CO -0.08 -1.06 0.24 -0.35 0.00 0.00 0.00 173.10 171.86 2duh s ASP 36 N -1.41 3.08 0.58 1.64 -1.08 0.76 -0.90 116.67 119.34 2duh s ASP 36 Ca 0.07 -2.49 0.32 0.00 -0.52 0.00 0.00 52.55 49.93 2duh s ASP 36 Cb -0.09 -0.66 1.79 0.00 -1.46 0.00 0.00 42.92 42.50 2duh s ASP 36 CO 0.03 -0.27 2.20 0.00 0.52 0.00 0.00 175.17 177.64 2duh h ALA 37 N 6.71 1.29 -0.39 3.66 0.00 -1.74 -1.82 119.26 126.97 2duh h ALA 37 Ca 0.06 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.04 2duh h ALA 37 Cb 0.94 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2duh h ALA 37 CO 0.37 0.06 0.28 1.15 0.00 0.00 0.00 179.25 181.10 2duh h THR 38 N 0.00 0.82 -0.18 0.00 2.02 -1.87 -2.10 112.91 111.60 2duh h THR 38 Ca -0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2duh h THR 38 Cb 0.16 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 2duh h THR 38 CO 0.01 0.01 0.00 -1.22 0.37 0.00 0.00 175.52 174.68 2duh n TYR 39 N -4.43 0.24 -2.40 3.16 4.01 -0.75 -4.95 117.16 112.04 2duh n TYR 39 Ca 0.06 -0.42 -0.19 0.00 -0.16 0.00 0.00 57.90 57.20 2duh n TYR 39 Cb 0.44 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.44 2duh n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2duh n GLY 40 N 0.17 -0.41 3.51 2.72 0.00 -0.79 -4.72 105.19 105.68 2duh n GLY 40 Ca 0.07 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 2duh n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2duh s LYS 41 N -4.98 2.87 -0.01 1.61 2.20 -0.83 -1.01 119.74 119.58 2duh s LYS 41 Ca 0.02 -0.61 0.03 0.00 -0.36 0.00 0.00 55.97 55.06 2duh s LYS 41 Cb -0.01 -2.57 -0.01 0.00 -1.51 0.00 0.00 37.83 33.73 2duh s LYS 41 CO 0.02 0.54 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.94 2duh s LEU 42 N -0.50 2.00 -0.04 5.43 1.43 -0.34 -0.17 118.68 126.49 2duh s LEU 42 Ca 0.07 -0.21 -0.00 0.00 -1.03 0.00 0.00 54.13 52.96 2duh s LEU 42 Cb -0.12 -0.59 0.03 0.00 0.03 0.00 0.00 46.19 45.54 2duh s LEU 42 CO 0.02 0.13 0.02 0.42 0.23 0.00 0.00 176.35 177.17 2duh s THR 43 N -0.21 0.11 0.01 5.49 -4.23 -0.78 -1.44 115.64 114.58 2duh s THR 43 Ca 0.03 0.18 -0.05 0.00 -1.18 0.00 0.00 61.69 60.68 2duh s THR 43 Cb -0.05 -0.25 -0.01 0.00 1.34 0.00 0.00 72.50 73.53 2duh s THR 43 CO -0.00 0.16 0.08 -0.76 -0.54 0.00 0.00 174.62 173.55 2duh s LEU 44 N 1.38 1.81 -0.11 4.79 1.43 -0.64 -1.41 118.68 125.94 2duh s LEU 44 Ca -0.05 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.73 2duh s LEU 44 Cb -0.13 0.48 0.01 0.00 0.03 0.00 0.00 46.19 46.58 2duh s LEU 44 CO -0.03 -0.37 -0.21 -0.75 0.23 0.00 0.00 176.35 175.23 2duh s LYS 45 N -1.60 2.78 -0.08 1.70 2.20 -0.47 -0.93 119.74 123.34 2duh s LYS 45 Ca -0.14 -0.78 0.01 0.00 -0.36 0.00 0.00 55.97 54.71 2duh s LYS 45 Cb -0.07 -2.19 -0.03 0.00 -1.51 0.00 0.00 37.83 34.03 2duh s LYS 45 CO -0.00 0.07 -0.10 -0.06 -0.36 0.00 0.00 175.35 174.90 2duh s PHE 46 N 0.62 2.85 -0.05 4.03 0.40 0.16 -1.54 117.98 124.44 2duh s PHE 46 Ca -0.13 -0.15 0.03 0.00 -0.60 0.00 0.00 56.93 56.08 2duh s PHE 46 Cb -0.17 -1.72 0.01 0.00 0.51 0.00 0.00 43.02 41.65 2duh s PHE 46 CO 0.03 0.18 -0.13 0.42 0.70 0.00 0.00 175.22 176.43 2duh s ILE 47 N -0.53 1.13 -0.28 0.64 -1.09 0.22 -1.25 121.20 120.03 2duh s ILE 47 Ca 0.08 -0.51 -0.29 0.00 -2.23 0.00 0.00 60.65 57.70 2duh s ILE 47 Cb -0.12 -1.02 0.01 0.00 -1.58 0.00 0.00 42.46 39.75 2duh s ILE 47 CO 0.02 0.35 1.14 0.00 -1.23 0.00 0.00 174.94 175.22 2duh n THR 49 N 5.80 0.00 0.45 0.00 -2.24 -0.26 -3.64 114.28 114.39 2duh n THR 49 Ca 0.13 -0.33 0.08 0.00 -2.27 0.00 0.00 64.05 61.67 2duh n THR 49 Cb 0.47 0.90 0.11 0.00 -2.10 0.00 0.00 70.33 69.70 2duh n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2duh n THR 50 N 0.49 0.25 0.00 4.28 -2.24 -1.25 -4.99 114.28 110.82 2duh n THR 50 Ca 0.16 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 2duh n THR 50 Cb 0.45 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 2duh n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2duh n GLY 51 N 0.97 0.15 3.73 3.38 0.00 -1.24 -5.01 105.19 107.17 2duh n GLY 51 Ca 0.12 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.20 2duh n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2duh s LYS 52 N -0.11 4.70 0.09 1.61 0.00 -1.26 -4.45 119.74 120.32 2duh s LYS 52 Ca 0.00 1.47 -0.31 0.00 0.00 0.00 0.00 55.97 57.13 2duh s LYS 52 Cb 0.00 -3.37 -0.08 0.00 0.00 0.00 0.00 37.83 34.39 2duh s LYS 52 CO 0.00 0.21 1.47 -1.17 0.00 0.00 0.00 175.35 175.86 2duh s LEU 53 N -0.06 4.36 0.00 2.77 2.96 -1.26 -4.91 118.68 122.54 2duh s LEU 53 Ca 0.47 2.35 0.21 0.00 -0.22 0.00 0.00 54.13 56.94 2duh s LEU 53 Cb -0.24 -3.58 1.09 0.00 0.50 0.00 0.00 46.19 43.96 2duh s LEU 53 CO 0.30 -0.74 1.72 -0.81 -1.32 0.00 0.00 176.35 175.50 2duh n PRO 54 N 4.60 1.22 -4.27 0.98 -0.04 -1.26 -4.80 135.00 131.43 2duh n PRO 54 Ca 0.13 -0.32 -0.15 0.00 -0.04 0.00 0.00 63.50 63.12 2duh n PRO 54 Cb 0.42 -1.34 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 2duh n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2duh s VAL 55 N -1.95 1.13 0.26 0.52 -7.23 -1.26 -4.62 120.40 107.25 2duh s VAL 55 Ca 0.31 -2.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.13 2duh s VAL 55 Cb 0.15 -1.95 -0.10 0.00 0.56 0.00 0.00 36.38 35.04 2duh s VAL 55 CO 0.25 -0.66 1.38 -2.84 -0.31 0.00 0.00 175.10 172.92 2duh s PRO 56 N -3.77 4.31 0.27 4.82 0.02 -1.26 -4.94 135.00 134.45 2duh s PRO 56 Ca 0.19 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.45 2duh s PRO 56 Cb 0.03 -3.12 0.62 0.00 0.02 0.00 0.00 34.50 32.05 2duh s PRO 56 CO 0.02 -0.33 1.69 -1.49 -0.33 0.00 0.00 177.00 176.56 2duh h TRP 57 N 4.69 0.47 -0.17 6.54 4.06 -1.95 -1.40 115.95 128.19 2duh h TRP 57 Ca -0.46 0.04 0.05 0.00 2.06 0.00 0.00 58.89 60.58 2duh h TRP 57 Cb 1.22 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 29.29 2duh h TRP 57 CO 0.59 -0.07 0.15 -1.35 -3.56 0.00 0.00 178.44 174.20 2duh h PRO 58 N 0.34 0.00 0.00 0.49 0.11 -1.89 -1.78 132.00 129.28 2duh h PRO 58 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 2duh h PRO 58 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2duh h PRO 58 CO -0.53 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.51 2duh n THR 59 N -4.11 0.89 0.69 -1.15 -2.24 -0.53 -2.75 114.28 105.08 2duh n THR 59 Ca 0.01 0.22 0.08 0.00 -2.27 0.00 0.00 64.05 62.08 2duh n THR 59 Cb 0.27 -1.02 -0.01 0.00 -2.10 0.00 0.00 70.33 67.48 2duh n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2duh n LEU 60 N -1.76 1.50 -0.03 3.22 4.77 -0.67 -4.65 117.00 119.38 2duh n LEU 60 Ca 0.03 -0.74 -0.08 0.00 -0.03 0.00 0.00 56.01 55.19 2duh n LEU 60 Cb 0.20 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 2duh n LEU 60 CO 0.17 0.29 0.80 0.58 -1.33 0.00 0.00 177.39 177.90 2duh h VAL 61 N 1.56 0.70 0.00 4.08 2.07 -1.56 -1.50 116.25 121.61 2duh h VAL 61 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 2duh h VAL 61 Cb 0.51 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2duh h VAL 61 CO 0.00 0.00 -0.24 0.71 0.02 0.00 0.00 177.57 178.06 2duh h THR 62 N -0.07 1.16 -0.24 2.57 1.35 -1.82 -2.69 112.91 113.15 2duh h THR 62 Ca 0.10 -0.84 -0.16 0.00 -0.55 0.00 0.00 66.41 64.96 2duh h THR 62 Cb 0.23 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 2duh h THR 62 CO -0.24 0.24 -0.49 0.74 -0.25 0.00 0.00 175.52 175.53 2duh h THR 63 N 0.00 1.30 0.00 6.82 2.02 -1.66 -3.46 112.91 117.93 2duh h THR 63 Ca -0.00 -1.69 -0.15 0.00 0.77 0.00 0.00 66.41 65.34 2duh h THR 63 Cb 0.44 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 2duh h THR 63 CO 0.03 0.54 0.99 0.49 0.37 0.00 0.00 175.52 177.94 2duh n PHE 64 N -4.12 0.40 0.00 3.16 3.72 -0.64 -5.03 117.46 114.95 2duh n PHE 64 Ca -0.05 -0.97 0.00 0.00 -0.05 0.00 0.00 57.45 56.38 2duh n PHE 64 Cb 0.59 -1.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.07 2duh n PHE 64 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2duh n VAL 68 N 3.51 0.00 1.17 -4.37 0.24 -1.26 -5.00 118.33 112.63 2duh n VAL 68 Ca 0.22 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.64 2duh n VAL 68 Cb 0.24 0.00 0.60 0.00 -1.47 0.00 0.00 33.84 33.21 2duh n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2duh n GLN 69 N 0.00 0.44 0.20 7.34 6.02 -1.26 -1.40 117.38 128.73 2duh n GLN 69 Ca 0.00 0.05 0.13 0.00 -0.01 0.00 0.00 57.00 57.17 2duh n GLN 69 Cb 0.00 -1.50 0.67 0.00 1.02 0.00 0.00 30.24 30.43 2duh n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2duh n PHE 71 N -2.39 0.14 -1.87 0.00 3.72 -0.49 -4.73 117.46 111.84 2duh n PHE 71 Ca -0.02 -0.07 -0.39 0.00 -0.05 0.00 0.00 57.45 56.93 2duh n PHE 71 Cb 0.09 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.66 2duh n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2duh s SER 72 N -1.72 5.60 -0.36 4.37 0.01 -0.93 -3.98 113.70 116.70 2duh s SER 72 Ca 0.34 2.73 -0.25 0.00 1.31 0.00 0.00 55.95 60.08 2duh s SER 72 Cb 0.19 -2.64 0.01 0.00 0.21 0.00 0.00 66.02 63.79 2duh s SER 72 CO 0.29 -1.34 0.88 -0.60 0.41 0.00 0.00 173.24 172.87 2duh s ARG 73 N -2.72 3.82 -0.24 12.44 3.52 -0.30 -4.78 118.95 130.69 2duh s ARG 73 Ca 0.67 0.50 -0.16 0.00 -0.13 0.00 0.00 55.73 56.61 2duh s ARG 73 Cb -0.39 -3.80 -0.03 0.00 -1.56 0.00 0.00 34.95 29.16 2duh s ARG 73 CO 0.48 -0.90 0.44 0.71 -0.81 0.00 0.00 175.30 175.22 2duh s TYR 74 N 3.33 3.30 0.56 5.12 1.51 -1.26 -0.68 117.35 129.22 2duh s TYR 74 Ca 0.36 0.57 -0.20 0.00 -1.01 0.00 0.00 57.07 56.79 2duh s TYR 74 Cb -0.12 -2.62 -0.07 0.00 -0.11 0.00 0.00 41.96 39.04 2duh s TYR 74 CO 0.18 -0.18 0.93 -2.30 -1.11 0.00 0.00 175.55 173.07 2duh n PRO 75 N 5.13 0.98 -0.31 -1.71 -0.02 -1.26 -4.75 135.00 133.06 2duh n PRO 75 Ca -0.07 0.37 0.14 0.00 -2.02 0.00 0.00 63.50 61.93 2duh n PRO 75 Cb 0.50 -2.09 0.32 0.00 -0.02 0.00 0.00 33.50 32.21 2duh n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2duh h ASP 76 N 0.72 0.24 0.58 2.55 3.58 -2.01 0.25 116.42 122.33 2duh h ASP 76 Ca -0.47 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.15 2duh h ASP 76 Cb 1.36 0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.59 2duh h ASP 76 CO 0.52 -0.07 0.00 0.00 -2.88 0.00 0.00 179.24 176.81 2duh n HIS 77 N -5.11 0.00 0.03 0.28 1.44 -1.26 -2.26 115.22 108.33 2duh n HIS 77 Ca 0.23 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 56.02 2duh n HIS 77 Cb 0.71 -0.45 0.18 0.00 0.12 0.00 0.00 29.99 30.55 2duh n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 2duh n MET 78 N -1.45 2.34 0.29 -1.40 2.81 0.06 -4.71 117.12 115.05 2duh n MET 78 Ca 0.06 -2.05 0.15 0.00 -1.81 0.00 0.00 57.70 54.05 2duh n MET 78 Cb 0.20 -1.37 0.86 0.00 -0.71 0.00 0.00 33.22 32.21 2duh n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2duh h LYS 79 N 3.01 0.00 0.00 0.03 1.79 -1.21 -0.66 116.57 119.53 2duh h LYS 79 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2duh h LYS 79 Cb 0.79 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 2duh h LYS 79 CO 0.00 0.06 0.00 2.89 -1.08 0.00 0.00 179.45 181.32 2duh n ARG 80 N -3.61 0.70 -0.08 3.15 1.85 -1.26 -2.63 116.66 114.79 2duh n ARG 80 Ca -0.02 0.00 0.08 0.00 -1.00 0.00 0.00 57.85 56.90 2duh n ARG 80 Cb 0.16 -1.50 0.11 0.00 -1.05 0.00 0.00 32.46 30.18 2duh n ARG 80 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2duh n HIS 81 N -1.00 0.21 -2.95 2.89 8.25 -0.26 -4.61 115.22 117.75 2duh n HIS 81 Ca 0.17 -0.16 -0.44 0.00 -0.26 0.00 0.00 57.72 57.02 2duh n HIS 81 Cb 0.08 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.16 2duh n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2duh s ASP 82 N -1.17 6.77 0.19 0.41 -1.08 -1.08 -4.48 116.67 116.22 2duh s ASP 82 Ca 0.22 -2.35 -0.12 0.00 -0.52 0.00 0.00 52.55 49.78 2duh s ASP 82 Cb 0.14 -2.39 0.16 0.00 -1.46 0.00 0.00 42.92 39.37 2duh s ASP 82 CO 0.20 -0.95 1.79 0.15 0.52 0.00 0.00 175.17 176.87 2duh h PHE 83 N 8.30 0.50 -0.16 -5.34 3.57 -1.90 -3.10 116.94 118.81 2duh h PHE 83 Ca 0.20 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 2duh h PHE 83 Cb 0.98 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 2duh h PHE 83 CO 1.14 0.24 0.06 0.74 -2.23 0.00 0.00 178.31 178.26 2duh h PHE 84 N 0.53 0.25 -0.13 0.41 0.04 -1.88 -2.15 116.94 114.00 2duh h PHE 84 Ca 0.24 -0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.88 2duh h PHE 84 Cb 0.15 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 2duh h PHE 84 CO -0.10 0.33 -0.38 0.87 -0.60 0.00 0.00 178.31 178.43 2duh h LYS 85 N 0.10 0.29 0.00 1.51 1.57 -1.85 -3.21 116.57 114.98 2duh h LYS 85 Ca 0.05 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 2duh h LYS 85 Cb 0.19 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2duh h LYS 85 CO -0.00 0.63 -0.21 0.66 -0.57 0.00 0.00 179.45 179.96 2duh h SER 86 N 0.24 0.00 0.71 0.86 4.64 -1.31 -1.73 113.55 116.95 2duh h SER 86 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2duh h SER 86 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2duh h SER 86 CO 0.06 0.21 0.00 0.00 -0.87 0.00 0.00 176.83 176.23 2duh n ALA 87 N -2.38 1.90 -2.28 5.18 0.00 -1.02 -4.59 120.51 117.32 2duh n ALA 87 Ca -0.02 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 53.07 2duh n ALA 87 Cb 0.29 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.39 2duh n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2duh s MET 88 N -3.02 3.70 0.00 0.00 1.00 -0.65 -0.43 119.30 119.89 2duh s MET 88 Ca 0.09 0.31 0.28 0.00 0.00 0.00 0.00 55.69 56.37 2duh s MET 88 Cb 0.13 -2.44 1.07 0.00 0.00 0.00 0.00 34.83 33.59 2duh s MET 88 CO 0.37 -0.02 1.79 -0.35 0.00 0.00 0.00 175.02 176.82 2duh n PRO 89 N -1.43 0.20 0.03 2.03 -0.04 -1.26 -4.14 135.00 130.39 2duh n PRO 89 Ca 0.01 -0.06 0.01 0.00 -0.04 0.00 0.00 63.50 63.42 2duh n PRO 89 Cb 0.54 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.84 2duh n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2duh h GLU 90 N 0.14 0.46 0.00 0.54 3.07 -1.91 -2.79 114.58 114.09 2duh h GLU 90 Ca 0.00 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 2duh h GLU 90 Cb 0.45 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 2duh h GLU 90 CO 0.00 0.49 0.00 0.41 -1.40 0.00 0.00 179.01 178.51 2duh n GLY 91 N -0.95 -2.50 3.06 -3.84 0.00 0.43 -4.59 105.19 96.80 2duh n GLY 91 Ca 0.01 -2.14 -0.08 0.00 0.00 0.00 0.00 46.02 43.81 2duh n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2duh s TYR 92 N -0.58 0.35 -0.02 1.61 -0.85 -0.32 -0.48 117.35 117.05 2duh s TYR 92 Ca 0.00 -0.73 -0.23 0.00 -0.52 0.00 0.00 57.07 55.59 2duh s TYR 92 Cb 0.00 -0.26 -0.05 0.00 0.38 0.00 0.00 41.96 42.04 2duh s TYR 92 CO 0.00 -0.31 0.69 0.08 -1.52 0.00 0.00 175.55 174.49 2duh s VAL 93 N -2.70 4.93 -0.17 -3.49 1.01 0.40 -1.28 120.40 119.11 2duh s VAL 93 Ca -0.04 1.43 0.01 0.00 0.00 0.00 0.00 61.98 63.38 2duh s VAL 93 Cb -0.01 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.36 2duh s VAL 93 CO -0.05 0.32 -0.18 -1.58 0.00 0.00 0.00 175.10 173.61 2duh s GLN 94 N 0.33 2.76 -0.03 2.72 0.74 -0.28 -1.38 119.66 124.51 2duh s GLN 94 Ca 0.36 -0.74 0.07 0.00 0.05 0.00 0.00 55.36 55.10 2duh s GLN 94 Cb -0.18 -2.40 -0.02 0.00 1.10 0.00 0.00 33.01 31.51 2duh s GLN 94 CO 0.19 -0.20 -0.24 -1.21 -0.55 0.00 0.00 175.29 173.28 2duh s GLU 95 N 1.31 2.22 0.04 1.67 2.02 -0.04 -0.80 118.70 125.13 2duh s GLU 95 Ca 0.04 -0.89 0.01 0.00 0.02 0.00 0.00 54.97 54.15 2duh s GLU 95 Cb -0.13 -2.11 -0.03 0.00 0.10 0.00 0.00 34.13 31.96 2duh s GLU 95 CO -0.11 0.55 -0.05 1.03 0.02 0.00 0.00 175.26 176.70 2duh s ARG 96 N -0.58 0.46 -0.10 1.61 0.52 -0.69 -1.22 118.95 118.95 2duh s ARG 96 Ca 0.09 -0.81 0.03 0.00 -0.52 0.00 0.00 55.73 54.52 2duh s ARG 96 Cb -0.11 -0.02 -0.01 0.00 0.52 0.00 0.00 34.95 35.34 2duh s ARG 96 CO -0.00 -0.03 -0.20 0.99 0.02 0.00 0.00 175.30 176.08 2duh s THR 97 N -2.00 2.41 -0.23 0.02 2.01 -0.44 -1.14 115.64 116.27 2duh s THR 97 Ca -0.08 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.02 2duh s THR 97 Cb -0.06 -1.95 0.04 0.00 0.01 0.00 0.00 72.50 70.54 2duh s THR 97 CO -0.02 0.55 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.71 2duh s ILE 98 N 0.24 2.37 -0.36 1.82 1.01 0.17 -1.60 121.20 124.85 2duh s ILE 98 Ca -0.14 -1.25 -0.14 0.00 0.00 0.00 0.00 60.65 59.13 2duh s ILE 98 Cb -0.17 -2.22 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 2duh s ILE 98 CO 0.07 0.20 0.29 -0.36 0.00 0.00 0.00 174.94 175.15 2duh s PHE 99 N 1.23 3.22 -0.28 3.97 0.40 0.39 -1.39 117.98 125.52 2duh s PHE 99 Ca -0.02 -0.22 -0.23 0.00 -0.60 0.00 0.00 56.93 55.86 2duh s PHE 99 Cb -0.17 -2.57 -0.01 0.00 0.51 0.00 0.00 43.02 40.78 2duh s PHE 99 CO -0.07 -0.43 0.76 -0.06 0.70 0.00 0.00 175.22 176.12 2duh s PHE 100 N 1.82 3.25 0.23 0.36 0.40 -0.50 -1.11 117.98 122.43 2duh s PHE 100 Ca 0.08 0.89 -0.32 0.00 -0.60 0.00 0.00 56.93 56.99 2duh s PHE 100 Cb -0.17 -3.08 -0.12 0.00 0.51 0.00 0.00 43.02 40.16 2duh s PHE 100 CO 0.11 -0.46 1.71 0.21 0.70 0.00 0.00 175.22 177.48 2duh s LYS 101 N 2.81 4.12 -1.63 0.44 2.20 -0.49 -0.90 119.74 126.29 2duh s LYS 101 Ca 0.31 2.62 0.00 0.00 -0.36 0.00 0.00 55.97 58.54 2duh s LYS 101 Cb -0.15 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 2duh s LYS 101 CO 0.10 -0.74 0.00 -3.47 -0.36 0.00 0.00 175.35 170.88 2duh n ASP 102 N 3.64 -4.94 0.00 1.43 4.64 -1.26 -4.82 116.55 115.24 2duh n ASP 102 Ca 0.15 0.28 0.00 0.00 -1.38 0.00 0.00 54.79 53.83 2duh n ASP 102 Cb 0.35 -3.93 0.00 0.00 -1.04 0.00 0.00 41.12 36.50 2duh n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 2duh n ASP 103 N -0.79 0.00 -2.08 1.67 -0.08 -0.07 -4.93 116.55 110.26 2duh n ASP 103 Ca -0.17 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.11 2duh n ASP 103 Cb 0.57 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.03 2duh n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2duh n GLY 104 N 0.00 -0.63 3.04 0.27 0.00 -1.20 -4.61 105.19 102.07 2duh n GLY 104 Ca 0.00 -1.73 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 2duh n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2duh s ASN 105 N -1.00 0.77 -0.08 1.61 2.20 -0.61 -1.41 114.94 116.42 2duh s ASN 105 Ca 0.00 -0.48 -0.07 0.00 -0.94 0.00 0.00 52.86 51.37 2duh s ASN 105 Cb 0.00 0.03 -0.04 0.00 -2.00 0.00 0.00 41.25 39.24 2duh s ASN 105 CO 0.00 -0.18 0.18 -0.31 -2.94 0.00 0.00 177.10 173.86 2duh s TYR 106 N -1.21 3.60 -0.11 1.54 2.02 -0.49 -1.73 117.35 120.98 2duh s TYR 106 Ca -0.09 0.55 0.04 0.00 -0.37 0.00 0.00 57.07 57.20 2duh s TYR 106 Cb -0.09 -1.96 0.00 0.00 -0.40 0.00 0.00 41.96 39.51 2duh s TYR 106 CO 0.00 0.71 -0.23 0.15 -1.57 0.00 0.00 175.55 174.60 2duh s LYS 107 N -1.24 3.02 0.03 -0.62 1.02 0.84 -0.65 119.74 122.14 2duh s LYS 107 Ca 0.19 -0.87 0.07 0.00 0.02 0.00 0.00 55.97 55.38 2duh s LYS 107 Cb -0.13 -2.31 -0.02 0.00 -0.52 0.00 0.00 37.83 34.85 2duh s LYS 107 CO 0.08 0.14 -0.19 0.95 -0.92 0.00 0.00 175.35 175.41 2duh s THR 108 N 0.43 1.54 -0.09 2.17 -4.23 -0.30 -1.21 115.64 113.96 2duh s THR 108 Ca -0.17 -1.08 -0.00 0.00 -1.18 0.00 0.00 61.69 59.26 2duh s THR 108 Cb -0.18 -1.33 0.02 0.00 1.34 0.00 0.00 72.50 72.35 2duh s THR 108 CO 0.07 0.22 -0.06 -0.60 -0.54 0.00 0.00 174.62 173.72 2duh s ARG 109 N -1.01 1.21 0.08 3.99 3.52 -0.60 -1.71 118.95 124.43 2duh s ARG 109 Ca 0.07 -0.15 0.06 0.00 -0.13 0.00 0.00 55.73 55.58 2duh s ARG 109 Cb -0.08 -1.31 -0.03 0.00 -1.56 0.00 0.00 34.95 31.97 2duh s ARG 109 CO 0.01 -0.22 -0.17 0.00 -0.81 0.00 0.00 175.30 174.11 2duh s ALA 110 N 1.58 1.42 -0.11 6.12 0.00 0.02 -1.01 121.76 129.77 2duh s ALA 110 Ca 0.01 -1.09 0.03 0.00 0.00 0.00 0.00 51.96 50.91 2duh s ALA 110 Cb -0.13 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.84 2duh s ALA 110 CO -0.05 0.24 -0.21 -1.21 0.00 0.00 0.00 175.76 174.53 2duh s GLU 111 N -1.81 2.79 -0.22 0.00 2.02 -0.50 -1.13 118.70 119.85 2duh s GLU 111 Ca 0.01 -0.78 -0.02 0.00 0.02 0.00 0.00 54.97 54.20 2duh s GLU 111 Cb -0.10 -2.19 0.00 0.00 0.10 0.00 0.00 34.13 31.94 2duh s GLU 111 CO 0.03 0.07 -0.08 0.08 0.02 0.00 0.00 175.26 175.38 2duh s VAL 112 N 0.62 3.00 0.19 2.63 1.01 -0.41 -1.52 120.40 125.92 2duh s VAL 112 Ca -0.13 -0.70 -0.23 0.00 0.00 0.00 0.00 61.98 60.92 2duh s VAL 112 Cb -0.17 -2.38 0.05 0.00 0.00 0.00 0.00 36.38 33.88 2duh s VAL 112 CO 0.04 0.40 0.78 -1.59 0.00 0.00 0.00 175.10 174.73 2duh s LYS 113 N 1.41 1.41 0.19 2.72 -2.85 -0.68 -1.17 119.74 120.77 2duh s LYS 113 Ca 0.04 -0.71 -0.29 0.00 -1.00 0.00 0.00 55.97 54.01 2duh s LYS 113 Cb -0.14 0.52 -0.08 0.00 -2.06 0.00 0.00 37.83 36.07 2duh s LYS 113 CO -0.06 -0.64 0.90 -0.06 0.10 0.00 0.00 175.35 175.60 2duh s PHE 114 N -3.62 3.93 -0.40 1.78 0.08 -1.05 -0.49 117.98 118.21 2duh s PHE 114 Ca 0.09 1.82 0.02 0.00 0.12 0.00 0.00 56.93 58.98 2duh s PHE 114 Cb -0.03 -2.94 0.11 0.00 -0.57 0.00 0.00 43.02 39.58 2duh s PHE 114 CO -0.00 0.42 0.13 -1.21 -0.10 0.00 0.00 175.22 174.46 2duh s GLU 115 N -0.91 1.72 7.65 0.44 0.41 0.25 -4.93 118.70 123.32 2duh s GLU 115 Ca 0.41 -2.04 0.00 0.00 -0.41 0.00 0.00 54.97 52.93 2duh s GLU 115 Cb -0.25 -3.32 0.00 0.00 -1.78 0.00 0.00 34.13 28.78 2duh s GLU 115 CO 0.30 -1.01 0.00 0.41 -0.49 0.00 0.00 175.26 174.47 2duh n GLY 116 N 4.07 3.15 1.04 -1.39 0.00 -1.26 -2.25 105.19 108.55 2duh n GLY 116 Ca 0.03 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 45.94 2duh n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2duh n ASP 117 N 5.11 3.01 -4.65 1.61 10.43 -1.26 -4.88 116.55 125.91 2duh n ASP 117 Ca 0.00 -2.09 -0.35 0.00 2.57 0.00 0.00 54.79 54.93 2duh n ASP 117 Cb 0.00 -0.39 -0.10 0.00 1.84 0.00 0.00 41.12 42.48 2duh n ASP 117 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 2duh s THR 118 N -1.42 4.68 -0.21 -3.53 2.01 -0.95 -4.37 115.64 111.85 2duh s THR 118 Ca 0.36 -0.08 -0.25 0.00 0.31 0.00 0.00 61.69 62.02 2duh s THR 118 Cb 0.20 -3.07 -0.01 0.00 0.01 0.00 0.00 72.50 69.63 2duh s THR 118 CO 0.22 0.51 0.84 -0.22 -0.69 0.00 0.00 174.62 175.28 2duh s LEU 119 N 0.01 4.12 -0.09 4.42 1.98 -0.17 -0.58 118.68 128.38 2duh s LEU 119 Ca 0.05 1.11 0.02 0.00 -2.89 0.00 0.00 54.13 52.42 2duh s LEU 119 Cb -0.12 -3.22 -0.02 0.00 0.66 0.00 0.00 46.19 43.49 2duh s LEU 119 CO 0.01 -0.47 -0.15 -0.69 -1.89 0.00 0.00 176.35 173.16 2duh s VAL 120 N 2.55 2.94 -0.31 1.68 1.01 0.36 -1.36 120.40 127.27 2duh s VAL 120 Ca 0.37 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 2duh s VAL 120 Cb -0.16 -2.18 0.06 0.00 0.00 0.00 0.00 36.38 34.09 2duh s VAL 120 CO 0.09 0.56 0.02 0.21 0.00 0.00 0.00 175.10 175.99 2duh s ASN 121 N -0.16 4.94 -0.23 3.32 2.47 -0.17 -1.68 114.94 123.42 2duh s ASN 121 Ca -0.01 -1.35 -0.08 0.00 0.42 0.00 0.00 52.86 51.84 2duh s ASN 121 Cb -0.13 -1.73 -0.04 0.00 -1.45 0.00 0.00 41.25 37.90 2duh s ASN 121 CO 0.03 -0.29 0.09 -0.13 -3.72 0.00 0.00 177.10 173.08 2duh s ARG 122 N 1.24 3.85 -0.02 0.43 0.52 -0.57 -1.23 118.95 123.16 2duh s ARG 122 Ca -0.03 -0.39 0.04 0.00 -0.52 0.00 0.00 55.73 54.83 2duh s ARG 122 Cb -0.20 -3.35 -0.01 0.00 0.52 0.00 0.00 34.95 31.91 2duh s ARG 122 CO -0.01 0.00 -0.14 0.42 0.02 0.00 0.00 175.30 175.58 2duh s ILE 123 N 1.14 1.14 -0.18 1.52 1.09 0.20 -1.41 121.20 124.70 2duh s ILE 123 Ca 0.05 -0.61 -0.03 0.00 -1.10 0.00 0.00 60.65 58.96 2duh s ILE 123 Cb -0.14 -0.96 -0.02 0.00 -1.06 0.00 0.00 42.46 40.28 2duh s ILE 123 CO 0.04 0.33 -0.05 -1.61 -0.10 0.00 0.00 174.94 173.55 2duh s GLU 124 N -0.25 3.51 -0.06 2.79 0.41 -0.18 -1.54 118.70 123.39 2duh s GLU 124 Ca 0.04 -0.58 0.06 0.00 -0.41 0.00 0.00 54.97 54.07 2duh s GLU 124 Cb -0.07 -2.94 -0.01 0.00 -1.78 0.00 0.00 34.13 29.34 2duh s GLU 124 CO -0.00 0.03 -0.25 -1.17 -0.49 0.00 0.00 175.26 173.39 2duh s LEU 125 N 0.89 2.06 -0.14 1.80 0.20 -0.32 -1.56 118.68 121.60 2duh s LEU 125 Ca -0.01 -0.50 0.00 0.00 0.69 0.00 0.00 54.13 54.31 2duh s LEU 125 Cb -0.15 -1.35 0.02 0.00 -0.43 0.00 0.00 46.19 44.29 2duh s LEU 125 CO 0.01 0.24 -0.13 -0.75 -0.29 0.00 0.00 176.35 175.43 2duh s LYS 126 N -0.14 2.16 -0.06 1.98 2.47 -0.35 -1.75 119.74 124.06 2duh s LYS 126 Ca -0.04 -0.51 0.05 0.00 -1.56 0.00 0.00 55.97 53.91 2duh s LYS 126 Cb -0.14 -2.00 -0.02 0.00 -1.46 0.00 0.00 37.83 34.21 2duh s LYS 126 CO 0.04 -0.23 -0.19 0.20 0.16 0.00 0.00 175.35 175.33 2duh s GLY 127 N 1.49 1.42 0.14 5.54 0.00 0.55 -0.11 107.32 116.35 2duh s GLY 127 Ca 0.04 -1.01 -0.02 0.00 0.00 0.00 0.00 44.72 43.73 2duh s GLY 127 CO -0.10 -0.69 0.09 -0.26 0.00 0.00 0.00 173.10 172.14 2duh s ILE 128 N -0.42 0.09 -1.03 0.90 -4.36 -0.70 -1.06 121.20 114.61 2duh s ILE 128 Ca 0.04 -1.85 0.00 0.00 -0.26 0.00 0.00 60.65 58.58 2duh s ILE 128 Cb -0.12 -2.05 0.00 0.00 1.25 0.00 0.00 42.46 41.54 2duh s ILE 128 CO 0.02 -0.41 0.00 0.47 0.24 0.00 0.00 174.94 175.26 2duh n ASP 129 N -0.12 -4.59 -4.79 4.36 8.00 -1.26 -1.57 116.55 116.58 2duh n ASP 129 Ca -0.05 0.24 -0.36 0.00 0.71 0.00 0.00 54.79 55.33 2duh n ASP 129 Cb 0.64 -2.94 -0.05 0.00 -0.02 0.00 0.00 41.12 38.75 2duh n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2duh s PHE 130 N -2.22 3.31 0.13 1.24 0.40 -1.26 -3.20 117.98 116.37 2duh s PHE 130 Ca 0.00 1.65 -0.30 0.00 -0.60 0.00 0.00 56.93 57.68 2duh s PHE 130 Cb 0.00 -3.05 -0.06 0.00 0.51 0.00 0.00 43.02 40.42 2duh s PHE 130 CO 0.00 -0.44 1.02 0.15 0.70 0.00 0.00 175.22 176.65 2duh s LYS 131 N -2.60 4.64 0.36 0.44 1.02 -1.26 -4.91 119.74 117.43 2duh s LYS 131 Ca 0.58 1.56 0.26 0.00 0.02 0.00 0.00 55.97 58.40 2duh s LYS 131 Cb -0.19 -3.34 0.85 0.00 -0.52 0.00 0.00 37.83 34.62 2duh s LYS 131 CO 0.24 0.13 1.77 0.93 -0.92 0.00 0.00 175.35 177.49 2duh h GLU 132 N 5.54 0.00 0.00 1.68 4.39 -1.96 -2.34 114.58 121.89 2duh h GLU 132 Ca -0.43 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.25 2duh h GLU 132 Cb 1.21 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.82 2duh h GLU 132 CO 0.73 0.00 -0.44 -3.47 -1.16 0.00 0.00 179.01 174.67 2duh n ASP 133 N -2.68 1.72 -2.99 1.42 4.64 -1.26 -3.95 116.55 113.46 2duh n ASP 133 Ca 0.03 -3.46 -0.14 0.00 -1.38 0.00 0.00 54.79 49.84 2duh n ASP 133 Cb 0.39 -0.47 0.11 0.00 -1.04 0.00 0.00 41.12 40.11 2duh n ASP 133 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2duh n GLY 134 N -0.99 -2.27 0.25 0.27 0.00 -0.88 -4.65 105.19 96.91 2duh n GLY 134 Ca 0.16 -1.53 0.13 0.00 0.00 0.00 0.00 46.02 44.79 2duh n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2duh h ASN 135 N -1.58 0.00 0.00 1.61 2.35 -1.93 -0.31 115.58 115.71 2duh h ASN 135 Ca -0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 2duh h ASN 135 Cb 0.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.96 2duh h ASN 135 CO 0.13 0.12 -0.16 0.40 -1.65 0.00 0.00 177.43 176.27 2duh h ILE 136 N 0.00 0.00 0.00 2.81 5.03 -1.92 -2.01 117.51 121.42 2duh h ILE 136 Ca -0.00 -0.44 -0.02 0.00 -0.12 0.00 0.00 64.86 64.28 2duh h ILE 136 Cb 0.66 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.45 2duh h ILE 136 CO 0.02 0.00 -0.12 -0.07 -0.68 0.00 0.00 178.15 177.30 2duh h LEU 137 N -0.44 0.00 -0.54 1.44 3.38 -1.75 -1.85 115.31 115.55 2duh h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2duh h LEU 137 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2duh h LEU 137 CO 0.00 0.12 -0.06 0.61 0.09 0.00 0.00 178.44 179.20 2duh n GLY 138 N -0.47 -0.50 3.50 0.83 0.00 -0.13 -4.89 105.19 103.53 2duh n GLY 138 Ca -0.01 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.45 2duh n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2duh n HIS 139 N -0.43 -2.14 -0.23 1.61 8.25 -0.70 -4.92 115.22 116.66 2duh n HIS 139 Ca 0.18 0.78 0.07 0.00 -0.26 0.00 0.00 57.72 58.50 2duh n HIS 139 Cb 0.28 -4.22 0.20 0.00 1.12 0.00 0.00 29.99 27.37 2duh n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2duh n LYS 140 N -3.88 2.82 -3.75 -0.41 5.02 -0.76 -4.99 118.16 112.21 2duh n LYS 140 Ca -0.18 -2.23 -0.36 0.00 -2.02 0.00 0.00 58.31 53.52 2duh n LYS 140 Cb 0.64 -1.36 -0.07 0.00 -0.02 0.00 0.00 35.03 34.22 2duh n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2duh s LEU 141 N -1.00 4.30 0.58 -0.35 1.43 -1.25 -0.61 118.68 121.77 2duh s LEU 141 Ca 0.31 0.41 -0.20 0.00 -1.03 0.00 0.00 54.13 53.62 2duh s LEU 141 Cb 0.16 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 2duh s LEU 141 CO 0.21 0.27 1.27 -1.61 0.23 0.00 0.00 176.35 176.72 2duh s GLU 142 N -0.28 3.02 -1.26 1.70 2.02 -0.12 -4.86 118.70 118.92 2duh s GLU 142 Ca 0.13 2.00 -0.15 0.00 0.02 0.00 0.00 54.97 56.97 2duh s GLU 142 Cb -0.12 -2.07 0.13 0.00 0.10 0.00 0.00 34.13 32.17 2duh s GLU 142 CO 0.02 -1.22 1.61 0.98 0.02 0.00 0.00 175.26 176.67 2duh n TYR 143 N -1.36 4.71 -3.82 1.61 9.36 -1.26 -4.80 117.16 121.60 2duh n TYR 143 Ca 0.12 -3.11 -0.08 0.00 3.32 0.00 0.00 57.90 58.16 2duh n TYR 143 Cb 0.48 -2.37 0.01 0.00 -0.63 0.00 0.00 39.34 36.82 2duh n TYR 143 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2duh s ASN 144 N 3.32 -0.07 0.06 2.98 2.20 -1.26 -4.89 114.94 117.28 2duh s ASN 144 Ca 0.47 -0.95 -0.18 0.00 -0.94 0.00 0.00 52.86 51.26 2duh s ASN 144 Cb 0.01 0.78 0.04 0.00 -2.00 0.00 0.00 41.25 40.08 2duh s ASN 144 CO 0.03 -1.53 0.42 -0.47 -2.94 0.00 0.00 177.10 172.61 2duh s TYR 145 N -2.73 -0.26 0.00 1.54 5.04 -1.26 -4.86 117.35 114.82 2duh s TYR 145 Ca 0.15 0.16 0.00 0.00 -2.44 0.00 0.00 57.07 54.94 2duh s TYR 145 Cb -0.05 0.24 0.00 0.00 0.35 0.00 0.00 41.96 42.50 2duh s TYR 145 CO 0.10 -0.61 0.00 0.09 -1.34 0.00 0.00 175.55 173.79 2duh n ASN 146 N 0.31 1.35 -4.81 4.32 3.02 -1.26 -4.79 115.26 113.39 2duh n ASN 146 Ca -0.18 -1.01 -0.36 0.00 -0.03 0.00 0.00 54.58 53.00 2duh n ASN 146 Cb 0.61 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.71 2duh n ASN 146 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2duh s SER 147 N -1.02 6.37 0.10 6.41 0.01 -1.26 -3.52 113.70 120.79 2duh s SER 147 Ca 0.00 0.43 0.01 0.00 1.31 0.00 0.00 55.95 57.71 2duh s SER 147 Cb -0.00 -2.10 -0.04 0.00 0.21 0.00 0.00 66.02 64.09 2duh s SER 147 CO 0.00 0.30 -0.04 0.20 0.41 0.00 0.00 173.24 174.11 2duh s ASN 148 N -0.45 0.99 -0.16 2.44 0.01 -1.06 -4.96 114.94 111.76 2duh s ASN 148 Ca 0.14 -1.04 -0.02 0.00 -0.71 0.00 0.00 52.86 51.22 2duh s ASN 148 Cb -0.12 0.13 -0.02 0.00 0.41 0.00 0.00 41.25 41.65 2duh s ASN 148 CO 0.03 -0.52 -0.07 0.20 -1.51 0.00 0.00 177.10 175.23 2duh s ASN 149 N -3.04 4.42 -0.29 -1.22 0.01 -1.26 -0.95 114.94 112.60 2duh s ASN 149 Ca 0.13 -0.25 -0.03 0.00 -0.71 0.00 0.00 52.86 52.01 2duh s ASN 149 Cb 0.06 -1.71 0.04 0.00 0.41 0.00 0.00 41.25 40.05 2duh s ASN 149 CO -0.04 0.13 0.01 -0.69 -1.51 0.00 0.00 177.10 175.00 2duh s VAL 150 N 0.56 3.16 -0.16 1.60 1.01 0.02 -4.60 120.40 121.97 2duh s VAL 150 Ca -0.05 -1.19 -0.18 0.00 0.00 0.00 0.00 61.98 60.56 2duh s VAL 150 Cb -0.15 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 2duh s VAL 150 CO 0.03 -0.02 0.47 -0.31 0.00 0.00 0.00 175.10 175.27 2duh s TYR 151 N 1.31 3.44 -0.05 5.22 1.51 -0.79 -0.67 117.35 127.33 2duh s TYR 151 Ca -0.03 0.78 0.06 0.00 -1.01 0.00 0.00 57.07 56.88 2duh s TYR 151 Cb -0.19 -2.58 -0.01 0.00 -0.11 0.00 0.00 41.96 39.07 2duh s TYR 151 CO -0.01 0.05 -0.25 0.42 -1.11 0.00 0.00 175.55 174.65 2duh s ILE 152 N 1.09 2.02 0.08 2.71 1.01 -0.11 -1.52 121.20 126.47 2duh s ILE 152 Ca 0.24 -1.06 -0.06 0.00 0.00 0.00 0.00 60.65 59.77 2duh s ILE 152 Cb -0.15 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.60 2duh s ILE 152 CO 0.09 0.56 0.11 0.00 0.00 0.00 0.00 174.94 175.71 2duh s MET 153 N -0.26 0.79 0.54 2.79 0.23 -0.04 -2.26 119.30 121.09 2duh s MET 153 Ca -0.01 -1.09 -0.19 0.00 -1.03 0.00 0.00 55.69 53.38 2duh s MET 153 Cb -0.13 0.29 -0.06 0.00 -1.53 0.00 0.00 34.83 33.41 2duh s MET 153 CO 0.03 -0.22 1.11 0.00 -2.03 0.00 0.00 175.02 173.90 2duh s ALA 154 N -3.90 2.72 -0.47 3.16 0.00 -1.24 -0.79 121.76 121.23 2duh s ALA 154 Ca 0.07 0.74 0.03 0.00 0.00 0.00 0.00 51.96 52.80 2duh s ALA 154 Cb 0.06 -3.33 0.16 0.00 0.00 0.00 0.00 23.12 20.01 2duh s ALA 154 CO -0.09 -0.71 0.33 0.34 0.00 0.00 0.00 175.76 175.62 2duh s ASP 155 N -1.92 3.02 0.41 0.00 -1.08 0.11 -4.55 116.67 112.65 2duh s ASP 155 Ca 0.71 -2.99 0.22 0.00 -0.52 0.00 0.00 52.55 49.96 2duh s ASP 155 Cb -0.22 -0.87 0.74 0.00 -1.46 0.00 0.00 42.92 41.11 2duh s ASP 155 CO 0.27 -0.20 1.75 0.07 0.52 0.00 0.00 175.17 177.58 2duh h LYS 156 N 6.09 0.00 0.00 4.34 5.09 -1.95 -0.86 116.57 129.28 2duh h LYS 156 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.87 2duh h LYS 156 Cb 0.89 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.22 2duh h LYS 156 CO 0.47 0.28 0.00 1.04 -2.09 0.00 0.00 179.45 179.15 2duh n GLN 157 N -3.38 0.00 -0.07 0.07 3.00 -1.26 -1.89 117.38 113.86 2duh n GLN 157 Ca 0.00 0.29 0.03 0.00 -0.01 0.00 0.00 57.00 57.32 2duh n GLN 157 Cb 0.49 -1.51 0.05 0.00 0.00 0.00 0.00 30.24 29.27 2duh n GLN 157 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2duh n LYS 158 N -1.52 1.77 -4.09 -1.09 4.01 -0.84 -4.99 118.16 111.42 2duh n LYS 158 Ca 0.03 -1.71 -0.29 0.00 -0.51 0.00 0.00 58.31 55.83 2duh n LYS 158 Cb 0.15 -1.07 -0.04 0.00 -0.51 0.00 0.00 35.03 33.56 2duh n LYS 158 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2duh n ASN 159 N -0.72 -0.78 0.00 4.39 5.15 -0.79 -4.60 115.26 117.91 2duh n ASN 159 Ca 0.06 -1.06 0.00 0.00 -0.60 0.00 0.00 54.58 52.97 2duh n ASN 159 Cb 0.46 -2.70 0.00 0.00 -0.53 0.00 0.00 39.78 37.01 2duh n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2duh n GLY 160 N -1.94 4.11 3.15 8.20 0.00 -0.39 -4.24 105.19 114.09 2duh n GLY 160 Ca -0.22 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.84 2duh n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2duh s ILE 161 N -0.94 0.55 -0.02 -0.61 -4.36 -0.82 0.07 121.20 115.07 2duh s ILE 161 Ca 0.00 -1.91 0.05 0.00 -0.26 0.00 0.00 60.65 58.54 2duh s ILE 161 Cb 0.00 -1.69 -0.01 0.00 1.25 0.00 0.00 42.46 42.01 2duh s ILE 161 CO 0.00 -0.86 -0.18 -0.54 0.24 0.00 0.00 174.94 173.60 2duh s LYS 162 N -3.87 1.60 -0.00 0.37 1.02 0.03 -1.63 119.74 117.26 2duh s LYS 162 Ca 0.12 -0.65 0.01 0.00 0.02 0.00 0.00 55.97 55.48 2duh s LYS 162 Cb 0.06 -1.49 -0.00 0.00 -0.52 0.00 0.00 37.83 35.88 2duh s LYS 162 CO -0.05 0.35 -0.04 0.08 -0.92 0.00 0.00 175.35 174.76 2duh s VAL 163 N -0.28 0.32 0.00 3.17 1.01 -0.11 -0.86 120.40 123.65 2duh s VAL 163 Ca 0.03 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.71 2duh s VAL 163 Cb -0.09 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 36.03 2duh s VAL 163 CO 0.00 0.08 0.21 0.54 0.00 0.00 0.00 175.10 175.93 2duh s ASN 164 N -0.13 -0.06 0.05 3.32 4.22 -0.58 -1.29 114.94 120.47 2duh s ASN 164 Ca 0.01 -0.12 -0.28 0.00 -2.14 0.00 0.00 52.86 50.33 2duh s ASN 164 Cb -0.02 0.26 0.10 0.00 1.28 0.00 0.00 41.25 42.87 2duh s ASN 164 CO -0.00 -0.43 1.16 0.72 -2.04 0.00 0.00 177.10 176.51 2duh s PHE 165 N -1.53 -0.08 -0.08 1.54 -0.71 -0.99 -1.88 117.98 114.25 2duh s PHE 165 Ca -0.13 -0.10 0.05 0.00 -1.04 0.00 0.00 56.93 55.71 2duh s PHE 165 Cb -0.06 0.58 -0.01 0.00 -1.21 0.00 0.00 43.02 42.33 2duh s PHE 165 CO 0.02 -0.49 -0.24 0.15 -1.34 0.00 0.00 175.22 173.32 2duh s LYS 166 N -2.76 2.75 -0.11 1.99 1.02 -1.26 -0.97 119.74 120.40 2duh s LYS 166 Ca 0.13 -0.88 -0.01 0.00 0.02 0.00 0.00 55.97 55.24 2duh s LYS 166 Cb 0.02 -2.20 -0.03 0.00 -0.52 0.00 0.00 37.83 35.11 2duh s LYS 166 CO -0.02 0.28 -0.08 0.42 -0.92 0.00 0.00 175.35 175.04 2duh s ILE 167 N 0.09 3.59 -0.33 2.17 -1.09 -0.58 -4.86 121.20 120.19 2duh s ILE 167 Ca -0.11 -0.49 -0.01 0.00 -2.23 0.00 0.00 60.65 57.81 2duh s ILE 167 Cb -0.16 -2.51 0.07 0.00 -1.58 0.00 0.00 42.46 38.29 2duh s ILE 167 CO 0.06 0.55 0.05 -0.13 -1.23 0.00 0.00 174.94 174.24 2duh s ARG 168 N -0.17 2.16 0.29 2.79 0.52 -1.26 -0.37 118.95 122.91 2duh s ARG 168 Ca 0.02 -1.50 -0.28 0.00 -0.52 0.00 0.00 55.73 53.45 2duh s ARG 168 Cb -0.13 -3.26 -0.10 0.00 0.52 0.00 0.00 34.95 31.99 2duh s ARG 168 CO 0.03 -0.78 0.95 -1.01 0.02 0.00 0.00 175.30 174.51 2duh s HIS 169 N 1.16 3.81 -0.02 -0.53 3.76 -0.08 -4.85 115.29 118.53 2duh s HIS 169 Ca 0.00 1.84 -0.28 0.00 -0.15 0.00 0.00 55.06 56.47 2duh s HIS 169 Cb -0.20 -2.95 -0.03 0.00 1.11 0.00 0.00 32.58 30.50 2duh s HIS 169 CO -0.03 0.29 0.89 -0.80 -0.85 0.00 0.00 174.74 174.24 2duh s ASN 170 N -1.43 7.24 0.26 1.40 0.01 -1.26 -0.33 114.94 120.83 2duh s ASN 170 Ca 0.46 1.51 -0.11 0.00 -0.71 0.00 0.00 52.86 54.01 2duh s ASN 170 Cb -0.22 -2.52 -0.08 0.00 0.41 0.00 0.00 41.25 38.85 2duh s ASN 170 CO 0.27 -0.22 0.60 -0.63 -1.51 0.00 0.00 177.10 175.61 2duh s ILE 171 N 0.98 4.86 0.32 0.60 1.01 -0.24 -0.94 121.20 127.79 2duh s ILE 171 Ca 0.47 0.60 0.36 0.00 0.00 0.00 0.00 60.65 62.09 2duh s ILE 171 Cb -0.20 -3.61 0.37 0.00 0.01 0.00 0.00 42.46 39.02 2duh s ILE 171 CO 0.25 -0.10 2.11 -0.33 0.00 0.00 0.00 174.94 176.86 2duh h GLU 172 N 2.46 0.00 -0.05 2.79 5.08 -1.18 -0.60 114.58 123.07 2duh h GLU 172 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2duh h GLU 172 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2duh h GLU 172 CO 0.68 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.29 2duh n ASP 173 N -2.81 0.77 0.00 1.42 5.68 -1.26 -4.90 116.55 115.45 2duh n ASP 173 Ca -0.02 -1.43 0.00 0.00 -0.50 0.00 0.00 54.79 52.84 2duh n ASP 173 Cb 0.09 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 2duh n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2duh n GLY 174 N 1.00 0.68 0.00 6.12 0.00 -0.23 -5.08 105.19 107.68 2duh n GLY 174 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2duh n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2duh n SER 175 N 0.00 0.00 -4.09 1.61 2.88 -1.25 -4.80 113.62 107.97 2duh n SER 175 Ca 0.00 -0.95 -0.18 0.00 -1.33 0.00 0.00 58.87 56.40 2duh n SER 175 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 2duh n SER 175 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2duh s VAL 176 N -0.70 0.88 -0.38 2.46 -7.23 -1.26 -1.07 120.40 113.10 2duh s VAL 176 Ca 0.00 -0.80 -0.09 0.00 -1.81 0.00 0.00 61.98 59.28 2duh s VAL 176 Cb 0.00 -0.81 0.06 0.00 0.56 0.00 0.00 36.38 36.19 2duh s VAL 176 CO 0.00 0.01 0.20 -1.58 -0.31 0.00 0.00 175.10 173.42 2duh s GLN 177 N -0.90 2.64 0.22 4.82 2.00 0.55 -4.89 119.66 124.11 2duh s GLN 177 Ca 0.00 -1.30 -0.30 0.00 -2.00 0.00 0.00 55.36 51.77 2duh s GLN 177 Cb -0.07 -3.67 -0.09 0.00 0.80 0.00 0.00 33.01 29.99 2duh s GLN 177 CO 0.01 -0.81 1.15 -1.17 -0.50 0.00 0.00 175.29 173.96 2duh s LEU 178 N 1.44 4.49 -0.31 3.68 2.96 -1.26 -0.91 118.68 128.78 2duh s LEU 178 Ca 0.01 2.23 0.00 0.00 -0.22 0.00 0.00 54.13 56.16 2duh s LEU 178 Cb -0.21 -3.61 0.10 0.00 0.50 0.00 0.00 46.19 42.96 2duh s LEU 178 CO 0.03 -0.27 0.07 0.00 -1.32 0.00 0.00 176.35 174.87 2duh s ALA 179 N -0.52 1.85 -0.20 5.97 0.00 0.51 -1.39 121.76 127.97 2duh s ALA 179 Ca 0.49 -1.80 -0.29 0.00 0.00 0.00 0.00 51.96 50.36 2duh s ALA 179 Cb -0.32 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.13 2duh s ALA 179 CO 0.38 -1.62 1.01 -0.51 0.00 0.00 0.00 175.76 175.03 2duh s ASP 180 N 1.45 7.11 -0.20 0.00 1.01 -0.27 -1.52 116.67 124.26 2duh s ASP 180 Ca 0.08 1.39 -0.07 0.00 0.71 0.00 0.00 52.55 54.66 2duh s ASP 180 Cb -0.18 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.18 2duh s ASP 180 CO -0.19 -0.59 0.06 -1.00 0.21 0.00 0.00 175.17 173.66 2duh s HIS 181 N 2.82 3.20 -0.08 4.23 3.76 -0.14 -0.46 115.29 128.61 2duh s HIS 181 Ca 0.44 -0.05 0.04 0.00 -0.15 0.00 0.00 55.06 55.35 2duh s HIS 181 Cb -0.16 -2.11 -0.00 0.00 1.11 0.00 0.00 32.58 31.42 2duh s HIS 181 CO 0.09 0.03 -0.23 0.71 -0.85 0.00 0.00 174.74 174.49 2duh s TYR 182 N 0.65 2.41 -0.03 1.40 2.02 -0.63 -2.34 117.35 120.83 2duh s TYR 182 Ca 0.03 -0.90 -0.03 0.00 -0.37 0.00 0.00 57.07 55.80 2duh s TYR 182 Cb -0.13 -1.61 0.01 0.00 -0.40 0.00 0.00 41.96 39.83 2duh s TYR 182 CO 0.02 -0.34 0.09 -1.14 -1.57 0.00 0.00 175.55 172.60 2duh s GLN 183 N 0.21 0.14 0.00 -0.62 0.74 -0.41 -1.32 119.66 118.39 2duh s GLN 183 Ca -0.14 0.06 0.03 0.00 0.05 0.00 0.00 55.36 55.36 2duh s GLN 183 Cb -0.16 0.06 -0.01 0.00 1.10 0.00 0.00 33.01 34.00 2duh s GLN 183 CO 0.07 -0.02 -0.10 1.14 -0.55 0.00 0.00 175.29 175.83 2duh s GLN 184 N -0.11 0.79 -0.02 1.67 -2.07 -0.36 -0.93 119.66 118.63 2duh s GLN 184 Ca -0.02 -0.44 0.05 0.00 -1.82 0.00 0.00 55.36 53.13 2duh s GLN 184 Cb -0.01 -0.76 -0.01 0.00 -1.09 0.00 0.00 33.01 31.14 2duh s GLN 184 CO 0.00 0.20 -0.16 -0.80 -1.32 0.00 0.00 175.29 173.21 2duh s ASN 185 N -0.46 1.97 -0.01 12.60 -0.87 -0.64 -0.86 114.94 126.67 2duh s ASN 185 Ca 0.02 -0.31 0.00 0.00 -1.57 0.00 0.00 52.86 51.01 2duh s ASN 185 Cb -0.05 -0.31 0.01 0.00 -0.02 0.00 0.00 41.25 40.88 2duh s ASN 185 CO -0.00 0.19 -0.01 0.42 -2.57 0.00 0.00 177.10 175.13 2duh s THR 186 N -0.27 0.13 0.51 1.60 -4.23 -0.48 -1.94 115.64 110.97 2duh s THR 186 Ca 0.04 -0.01 -0.21 0.00 -1.18 0.00 0.00 61.69 60.33 2duh s THR 186 Cb -0.08 -0.15 -0.06 0.00 1.34 0.00 0.00 72.50 73.55 2duh s THR 186 CO 0.00 0.07 1.16 -2.16 -0.54 0.00 0.00 174.62 173.14 2duh s PRO 187 N 0.31 3.50 -0.07 3.99 0.04 -1.26 -0.45 135.00 141.06 2duh s PRO 187 Ca -0.03 1.71 0.03 0.00 0.04 0.00 0.00 61.00 62.76 2duh s PRO 187 Cb -0.05 -2.18 -0.25 0.00 0.04 0.00 0.00 34.50 32.06 2duh s PRO 187 CO -0.01 -0.75 0.57 0.82 0.04 0.00 0.00 177.00 177.67 2duh h ILE 188 N 1.48 0.79 -3.43 0.56 2.04 -1.05 -3.45 117.51 114.45 2duh h ILE 188 Ca -0.50 -2.57 -0.20 0.00 1.00 0.00 0.00 64.86 62.59 2duh h ILE 188 Cb 1.26 2.49 0.06 0.00 -0.74 0.00 0.00 36.82 39.89 2duh h ILE 188 CO 0.58 0.69 0.13 0.61 0.00 0.00 0.00 178.15 180.16 2duh n GLY 189 N 1.74 -0.46 0.65 5.37 0.00 -1.26 -5.00 105.19 106.23 2duh n GLY 189 Ca -0.23 -1.81 0.07 0.00 0.00 0.00 0.00 46.02 44.05 2duh n GLY 189 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2duh n ASP 190 N -3.20 2.61 -4.88 1.61 5.75 -1.26 -4.98 116.55 112.20 2duh n ASP 190 Ca 0.07 -1.78 -0.30 0.00 -0.01 0.00 0.00 54.79 52.77 2duh n ASP 190 Cb 0.26 -0.14 0.02 0.00 -1.03 0.00 0.00 41.12 40.23 2duh n ASP 190 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2duh s GLY 191 N -1.06 1.64 0.54 6.12 0.00 -1.26 -5.05 107.32 108.24 2duh s GLY 191 Ca 0.22 -0.21 -0.18 0.00 0.00 0.00 0.00 44.72 44.55 2duh s GLY 191 CO 0.18 0.08 1.04 2.56 0.00 0.00 0.00 173.10 176.96 2duh s PRO 192 N -5.18 3.60 0.35 2.90 0.04 -1.26 -5.04 135.00 130.41 2duh s PRO 192 Ca 0.55 1.25 0.08 0.00 0.04 0.00 0.00 61.00 62.92 2duh s PRO 192 Cb -0.11 -2.07 -0.07 0.00 0.04 0.00 0.00 34.50 32.29 2duh s PRO 192 CO 0.52 -0.59 -0.04 0.14 0.04 0.00 0.00 177.00 177.07 2duh s VAL 193 N -2.25 1.96 -0.34 -0.36 -7.23 -1.26 -4.76 120.40 106.16 2duh s VAL 193 Ca 0.65 -2.11 -0.19 0.00 -1.81 0.00 0.00 61.98 58.52 2duh s VAL 193 Cb -0.16 -2.72 -0.00 0.00 0.56 0.00 0.00 36.38 34.06 2duh s VAL 193 CO 0.28 -0.15 0.57 -0.76 -0.31 0.00 0.00 175.10 174.73 2duh s LEU 194 N -3.59 4.27 -0.33 1.32 1.43 -1.26 -5.06 118.68 115.46 2duh s LEU 194 Ca 0.33 0.12 -0.19 0.00 -1.03 0.00 0.00 54.13 53.36 2duh s LEU 194 Cb 0.05 -2.68 -0.01 0.00 0.03 0.00 0.00 46.19 43.59 2duh s LEU 194 CO 0.16 -0.50 0.56 -0.76 0.23 0.00 0.00 176.35 176.04 2duh s LEU 195 N 2.51 4.24 0.37 1.79 1.43 -1.26 -3.72 118.68 124.05 2duh s LEU 195 Ca 0.21 0.18 -0.07 0.00 -1.03 0.00 0.00 54.13 53.42 2duh s LEU 195 Cb -0.15 -2.68 -0.05 0.00 0.03 0.00 0.00 46.19 43.33 2duh s LEU 195 CO 0.13 -0.47 0.69 -2.16 0.23 0.00 0.00 176.35 174.77 2duh s PRO 196 N 2.49 3.69 0.88 1.29 0.04 -1.26 -4.88 135.00 137.24 2duh s PRO 196 Ca 0.21 0.24 -0.11 0.00 0.04 0.00 0.00 61.00 61.39 2duh s PRO 196 Cb -0.15 -2.49 0.12 0.00 0.04 0.00 0.00 34.50 32.02 2duh s PRO 196 CO 0.13 0.04 1.10 -0.51 0.04 0.00 0.00 177.00 177.80 2duh s ASP 197 N -3.32 3.47 0.25 6.66 1.01 -1.26 -3.70 116.67 119.78 2duh s ASP 197 Ca 0.48 1.84 -0.31 0.00 0.71 0.00 0.00 52.55 55.27 2duh s ASP 197 Cb -0.10 -2.44 -0.12 0.00 1.01 0.00 0.00 42.92 41.26 2duh s ASP 197 CO 0.33 -2.69 1.61 0.59 0.21 0.00 0.00 175.17 175.21 2duh n ASN 198 N -3.95 3.67 -2.47 0.27 5.03 -1.26 -4.79 115.26 111.76 2duh n ASN 198 Ca 0.09 1.11 -0.04 0.00 0.87 0.00 0.00 54.58 56.61 2duh n ASN 198 Cb 0.53 -1.55 0.02 0.00 -1.02 0.00 0.00 39.78 37.76 2duh n ASN 198 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2duh n HIS 199 N 2.81 -1.60 -4.14 3.10 1.44 -0.96 -4.87 115.22 111.00 2duh n HIS 199 Ca 0.12 -1.15 -0.09 0.00 -2.01 0.00 0.00 57.72 54.59 2duh n HIS 199 Cb 0.35 0.57 -0.10 0.00 0.12 0.00 0.00 29.99 30.92 2duh n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 2duh s TYR 200 N -3.64 0.80 -0.15 -1.40 -0.85 -0.72 -0.94 117.35 110.45 2duh s TYR 200 Ca 0.14 -1.16 -0.05 0.00 -0.52 0.00 0.00 57.07 55.48 2duh s TYR 200 Cb -0.03 -0.48 -0.03 0.00 0.38 0.00 0.00 41.96 41.80 2duh s TYR 200 CO 0.06 -0.44 0.01 -0.51 -1.52 0.00 0.00 175.55 173.16 2duh s LEU 201 N -3.02 3.55 -0.30 -3.49 1.43 0.16 -0.47 118.68 116.54 2duh s LEU 201 Ca 0.19 0.01 -0.12 0.00 -1.03 0.00 0.00 54.13 53.18 2duh s LEU 201 Cb 0.07 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 2duh s LEU 201 CO -0.02 0.21 0.24 -0.44 0.23 0.00 0.00 176.35 176.58 2duh s SER 202 N 0.12 6.08 0.22 2.29 0.01 0.26 -0.80 113.70 121.88 2duh s SER 202 Ca 0.02 -0.08 0.10 0.00 1.31 0.00 0.00 55.95 57.29 2duh s SER 202 Cb -0.13 -2.14 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 2duh s SER 202 CO 0.02 -0.14 -0.08 0.42 0.41 0.00 0.00 173.24 173.87 2duh s THR 203 N 1.82 3.17 -0.11 1.44 -4.23 -0.12 -1.47 115.64 116.14 2duh s THR 203 Ca 0.08 -1.85 -0.12 0.00 -1.18 0.00 0.00 61.69 58.63 2duh s THR 203 Cb -0.16 -2.63 0.03 0.00 1.34 0.00 0.00 72.50 71.08 2duh s THR 203 CO 0.11 -0.24 0.32 0.00 -0.54 0.00 0.00 174.62 174.28 2duh s GLN 204 N -3.20 0.42 0.02 3.99 -2.07 -0.09 -2.55 119.66 116.19 2duh s GLN 204 Ca 0.28 0.36 -0.00 0.00 -1.82 0.00 0.00 55.36 54.17 2duh s GLN 204 Cb -0.07 0.20 -0.02 0.00 -1.09 0.00 0.00 33.01 32.02 2duh s GLN 204 CO 0.17 -0.06 -0.03 -1.12 -1.32 0.00 0.00 175.29 172.92 2duh s SER 205 N -0.05 0.29 -0.05 12.60 0.01 -1.23 -1.25 113.70 124.03 2duh s SER 205 Ca -0.02 -0.57 0.01 0.00 1.31 0.00 0.00 55.95 56.68 2duh s SER 205 Cb -0.03 0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.33 2duh s SER 205 CO 0.01 -0.34 -0.07 0.00 0.41 0.00 0.00 173.24 173.25 2duh s ALA 206 N -1.82 0.84 -0.07 1.44 0.00 -0.07 -4.44 121.76 117.64 2duh s ALA 206 Ca -0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 51.96 51.64 2duh s ALA 206 Cb -0.07 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 2duh s ALA 206 CO -0.02 0.04 0.08 -0.51 0.00 0.00 0.00 175.76 175.35 2duh s LEU 207 N 0.79 3.99 0.36 0.00 1.43 -1.26 -1.69 118.68 122.30 2duh s LEU 207 Ca -0.12 0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 53.24 2duh s LEU 207 Cb -0.15 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.01 2duh s LEU 207 CO 0.01 0.36 0.48 -0.94 0.23 0.00 0.00 176.35 176.49 2duh s SER 208 N -1.22 1.09 0.13 2.29 1.04 0.01 -4.93 113.70 112.12 2duh s SER 208 Ca 0.17 -1.56 0.08 0.00 0.48 0.00 0.00 55.95 55.13 2duh s SER 208 Cb -0.12 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.64 2duh s SER 208 CO 0.07 -1.32 -0.20 -0.54 0.98 0.00 0.00 173.24 172.23 2duh s LYS 209 N -2.93 1.19 -0.43 4.02 -0.14 -1.26 -1.56 119.74 118.62 2duh s LYS 209 Ca 0.31 -1.26 -0.23 0.00 -1.36 0.00 0.00 55.97 53.43 2duh s LYS 209 Cb -0.01 -1.39 0.02 0.00 -1.68 0.00 0.00 37.83 34.78 2duh s LYS 209 CO 0.22 0.31 0.79 0.34 -0.76 0.00 0.00 175.35 176.25 2duh s ASP 210 N -2.19 6.45 0.66 2.83 -1.08 -1.26 -4.95 116.67 117.12 2duh s ASP 210 Ca 0.10 0.02 0.43 0.00 -0.52 0.00 0.00 52.55 52.58 2duh s ASP 210 Cb -0.08 -2.39 2.36 0.00 -1.46 0.00 0.00 42.92 41.35 2duh s ASP 210 CO 0.05 -0.87 2.36 1.55 0.52 0.00 0.00 175.17 178.78 2duh h PRO 211 N 8.85 0.00 -0.02 4.34 0.13 -2.04 -1.78 132.00 141.48 2duh h PRO 211 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2duh h PRO 211 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2duh h PRO 211 CO 0.95 0.00 -0.37 0.09 -0.23 0.00 0.00 178.00 178.44 2duh n ASN 212 N -3.18 2.04 -4.62 1.44 3.02 -1.26 -4.90 115.26 107.79 2duh n ASN 212 Ca -0.03 -1.51 -0.41 0.00 -0.03 0.00 0.00 54.58 52.60 2duh n ASN 212 Cb 0.07 0.35 -0.06 0.00 -0.61 0.00 0.00 39.78 39.54 2duh n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2duh s GLU 213 N -2.40 4.08 0.02 3.52 2.56 -0.67 -4.94 118.70 120.87 2duh s GLU 213 Ca 0.21 0.62 0.23 0.00 0.00 0.00 0.00 54.97 56.02 2duh s GLU 213 Cb 0.19 -3.67 0.02 0.00 2.00 0.00 0.00 34.13 32.66 2duh s GLU 213 CO 0.52 -0.49 1.01 1.63 -0.56 0.00 0.00 175.26 177.37 2duh n LYS 214 N 5.87 0.19 -1.53 4.30 4.76 -1.26 -4.90 118.16 125.60 2duh n LYS 214 Ca 0.01 -0.02 -0.31 0.00 -2.87 0.00 0.00 58.31 55.13 2duh n LYS 214 Cb 0.48 -1.55 0.07 0.00 -1.84 0.00 0.00 35.03 32.19 2duh n LYS 214 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2duh s ARG 215 N -3.14 2.61 0.01 1.97 0.52 -1.26 -4.99 118.95 114.67 2duh s ARG 215 Ca 0.05 0.89 -0.30 0.00 -0.52 0.00 0.00 55.73 55.85 2duh s ARG 215 Cb 0.15 -1.96 -0.06 0.00 0.52 0.00 0.00 34.95 33.61 2duh s ARG 215 CO 0.81 -1.31 1.38 0.34 0.02 0.00 0.00 175.30 176.54 2duh s ASP 216 N -3.78 6.87 0.26 0.23 2.15 -1.26 -4.97 116.67 116.17 2duh s ASP 216 Ca 0.59 2.11 -0.18 0.00 0.43 0.00 0.00 52.55 55.50 2duh s ASP 216 Cb -0.14 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 39.92 2duh s ASP 216 CO 0.55 -0.69 0.62 -1.38 -0.17 0.00 0.00 175.17 174.10 2duh s HIS 217 N 2.20 -0.00 -0.07 -5.34 -3.43 -1.26 -1.31 115.29 106.07 2duh s HIS 217 Ca 0.63 -0.41 -0.03 0.00 -0.80 0.00 0.00 55.06 54.44 2duh s HIS 217 Cb -0.31 0.51 0.04 0.00 -1.43 0.00 0.00 32.58 31.38 2duh s HIS 217 CO 0.27 -1.12 0.16 1.41 -2.00 0.00 0.00 174.74 173.45 2duh s MET 218 N -3.95 0.12 -0.14 -0.38 1.75 -0.38 -4.98 119.30 111.33 2duh s MET 218 Ca 0.15 0.36 -0.05 0.00 -1.25 0.00 0.00 55.69 54.90 2duh s MET 218 Cb -0.04 -0.13 -0.03 0.00 2.84 0.00 0.00 34.83 37.47 2duh s MET 218 CO 0.07 -0.14 0.02 0.08 -0.65 0.00 0.00 175.02 174.39 2duh s VAL 219 N 1.01 4.43 -0.07 10.11 1.01 -0.60 -0.67 120.40 135.62 2duh s VAL 219 Ca -0.08 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.75 2duh s VAL 219 Cb -0.10 -2.94 0.01 0.00 0.00 0.00 0.00 36.38 33.36 2duh s VAL 219 CO -0.05 0.52 -0.12 -0.22 0.00 0.00 0.00 175.10 175.23 2duh s LEU 220 N -0.08 1.62 -0.14 3.92 2.96 -0.11 -0.81 118.68 126.05 2duh s LEU 220 Ca 0.05 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.67 2duh s LEU 220 Cb -0.13 -0.83 0.01 0.00 0.50 0.00 0.00 46.19 45.75 2duh s LEU 220 CO 0.02 0.02 -0.18 -0.22 -1.32 0.00 0.00 176.35 174.67 2duh s LEU 221 N 0.74 1.93 0.00 -0.68 2.96 -0.68 -1.62 118.68 121.33 2duh s LEU 221 Ca -0.13 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.25 2duh s LEU 221 Cb -0.16 -1.30 -0.00 0.00 0.50 0.00 0.00 46.19 45.23 2duh s LEU 221 CO 0.03 0.03 -0.03 -1.61 -1.32 0.00 0.00 176.35 173.44 2duh s GLU 222 N 1.04 0.28 -0.05 1.98 2.02 -0.52 -0.89 118.70 122.56 2duh s GLU 222 Ca -0.03 -0.18 0.02 0.00 0.02 0.00 0.00 54.97 54.80 2duh s GLU 222 Cb -0.15 -0.23 0.01 0.00 0.10 0.00 0.00 34.13 33.86 2duh s GLU 222 CO -0.05 0.06 -0.10 -0.06 0.02 0.00 0.00 175.26 175.13 2duh s PHE 223 N -0.23 1.18 -0.03 1.61 0.08 -0.38 -1.20 117.98 119.01 2duh s PHE 223 Ca -0.00 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.67 2duh s PHE 223 Cb -0.02 -0.88 0.03 0.00 -0.57 0.00 0.00 43.02 41.58 2duh s PHE 223 CO -0.00 -0.20 0.01 0.08 -0.10 0.00 0.00 175.22 175.01 2duh s VAL 224 N 0.53 0.15 -0.06 -0.44 1.01 -0.18 -0.92 120.40 120.50 2duh s VAL 224 Ca -0.10 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.02 2duh s VAL 224 Cb -0.13 -0.25 0.01 0.00 0.00 0.00 0.00 36.38 36.00 2duh s VAL 224 CO 0.02 0.14 -0.14 -0.89 0.00 0.00 0.00 175.10 174.23 2duh s THR 225 N 1.09 1.26 0.38 3.92 2.01 -0.54 -1.15 115.64 122.61 2duh s THR 225 Ca -0.09 -0.58 -0.26 0.00 0.31 0.00 0.00 61.69 61.07 2duh s THR 225 Cb -0.13 -1.12 -0.09 0.00 0.01 0.00 0.00 72.50 71.17 2duh s THR 225 CO -0.02 0.38 1.15 0.00 -0.69 0.00 0.00 174.62 175.44 2duh s ALA 226 N 0.39 3.20 0.27 7.40 0.00 0.14 -0.57 121.76 132.59 2duh s ALA 226 Ca -0.10 0.94 -0.06 0.00 0.00 0.00 0.00 51.96 52.74 2duh s ALA 226 Cb -0.14 -3.37 0.03 0.00 0.00 0.00 0.00 23.12 19.64 2duh s ALA 226 CO 0.03 -0.45 0.47 0.00 0.00 0.00 0.00 175.76 175.81 2duh n ALA 227 N 0.26 -0.81 -0.26 0.00 0.00 0.38 -4.58 120.51 115.49 2duh n ALA 227 Ca 0.03 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.46 2duh n ALA 227 Cb 0.46 0.81 0.00 0.00 0.00 0.00 0.00 19.45 20.73 2duh n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2duh n GLY 228 N -0.39 0.86 0.00 0.00 0.00 -1.26 -1.76 105.19 102.63 2duh n GLY 228 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2duh n GLY 228 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71