#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dqj n PRO -1 N 0.00 0.13 -0.04 -0.67 -0.04 -1.26 -1.06 135.00 132.06 3dqj n PRO -1 Ca 0.00 0.63 -0.14 0.00 -0.04 0.00 0.00 63.50 63.95 3dqj n PRO -1 Cb 0.00 -1.97 -0.12 0.00 -0.04 0.00 0.00 33.50 31.38 3dqj n PRO -1 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 3dqj h MET 0 N 0.00 0.04 -0.83 0.54 1.85 -2.03 -2.86 114.93 111.64 3dqj h MET 0 Ca 0.00 -0.04 0.08 0.00 -0.61 0.00 0.00 59.70 59.13 3dqj h MET 0 Cb 0.06 0.01 -0.06 0.00 0.43 0.00 0.00 31.60 32.05 3dqj h MET 0 CO 0.00 0.83 0.54 0.28 -0.40 0.00 0.00 176.91 178.16 3dqj h VAL 1 N -0.73 0.99 -0.39 -5.77 2.07 -1.74 -2.63 116.25 108.05 3dqj h VAL 1 Ca -0.01 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 67.28 3dqj h VAL 1 Cb 0.85 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 3dqj h VAL 1 CO 0.01 0.15 0.09 -1.28 0.02 0.00 0.00 177.57 176.57 3dqj h SER 2 N 0.84 0.05 -0.79 0.57 0.87 -1.15 -1.71 113.55 112.23 3dqj h SER 2 Ca 0.38 0.06 0.07 0.00 -1.23 0.00 0.00 61.79 61.06 3dqj h SER 2 Cb 0.35 0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.33 3dqj h SER 2 CO -0.15 0.06 0.47 0.50 -0.53 0.00 0.00 176.83 177.18 3dqj h LYS 3 N 0.23 0.82 -0.15 2.24 3.64 -1.22 -0.33 116.57 121.79 3dqj h LYS 3 Ca 0.19 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 3dqj h LYS 3 Cb 0.21 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3dqj h LYS 3 CO -0.23 0.54 -0.04 0.78 -2.27 0.00 0.00 179.45 178.23 3dqj h GLY 4 N 0.84 0.31 -0.03 5.01 0.00 -1.54 -3.11 103.07 104.55 3dqj h GLY 4 Ca 0.36 -0.26 0.11 0.00 0.00 0.00 0.00 47.33 47.54 3dqj h GLY 4 CO -0.19 0.24 -0.07 0.83 0.00 0.00 0.00 176.54 177.34 3dqj h GLU 5 N -0.01 0.05 0.00 4.80 5.08 -0.68 -2.17 114.58 121.64 3dqj h GLU 5 Ca 0.04 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3dqj h GLU 5 Cb 0.47 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3dqj h GLU 5 CO 0.02 0.03 0.00 0.39 -1.00 0.00 0.00 179.01 178.45 3dqj n GLU 6 N -5.33 0.10 -0.04 2.33 1.02 -0.19 -2.21 120.64 116.32 3dqj n GLU 6 Ca 0.06 0.28 -0.11 0.00 -0.02 0.00 0.00 57.16 57.37 3dqj n GLU 6 Cb 0.30 -1.67 -0.14 0.00 -0.02 0.00 0.00 31.44 29.90 3dqj n GLU 6 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3dqj n LEU 7 N -1.86 1.10 -0.74 -4.62 4.77 -0.86 -4.63 117.00 110.16 3dqj n LEU 7 Ca 0.04 0.27 0.06 0.00 -0.03 0.00 0.00 56.01 56.35 3dqj n LEU 7 Cb 0.24 -0.03 0.18 0.00 -2.33 0.00 0.00 43.42 41.48 3dqj n LEU 7 CO 0.19 0.52 0.65 0.49 -1.33 0.00 0.00 177.39 177.91 3dqj n PHE 8 N -3.07 0.56 0.03 -1.77 3.01 -0.92 -4.80 117.46 110.49 3dqj n PHE 8 Ca -0.24 -0.52 -0.02 0.00 1.01 0.00 0.00 57.45 57.67 3dqj n PHE 8 Cb 1.07 -0.05 0.23 0.00 -0.01 0.00 0.00 39.48 40.72 3dqj n PHE 8 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3dqj h THR 9 N 2.27 1.25 -0.91 4.37 1.35 -1.70 -3.37 112.91 116.17 3dqj h THR 9 Ca 0.00 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 3dqj h THR 9 Cb 0.81 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 3dqj h THR 9 CO 0.02 0.38 0.00 0.61 -0.25 0.00 0.00 175.52 176.28 3dqj n GLY 10 N -0.46 4.40 3.70 5.82 0.00 -1.26 -4.75 105.19 112.64 3dqj n GLY 10 Ca -0.00 -1.81 -0.38 0.00 0.00 0.00 0.00 46.02 43.83 3dqj n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dqj s VAL 11 N 2.39 5.18 -0.16 1.61 1.01 -1.26 -4.47 120.40 124.70 3dqj s VAL 11 Ca 0.00 0.89 -0.00 0.00 0.00 0.00 0.00 61.98 62.87 3dqj s VAL 11 Cb 0.00 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 3dqj s VAL 11 CO 0.00 0.28 -0.13 -0.69 0.00 0.00 0.00 175.10 174.56 3dqj s VAL 12 N 0.98 2.87 0.52 2.92 1.01 0.25 -4.95 120.40 124.01 3dqj s VAL 12 Ca 0.24 -0.70 -0.21 0.00 0.00 0.00 0.00 61.98 61.31 3dqj s VAL 12 Cb -0.15 -2.22 -0.06 0.00 0.00 0.00 0.00 36.38 33.95 3dqj s VAL 12 CO 0.09 0.51 1.16 -2.84 0.00 0.00 0.00 175.10 174.02 3dqj s PRO 13 N 0.75 3.42 0.04 2.72 0.02 -1.26 -0.35 135.00 140.34 3dqj s PRO 13 Ca -0.05 1.72 0.05 0.00 0.02 0.00 0.00 61.00 62.74 3dqj s PRO 13 Cb -0.15 -2.13 -0.02 0.00 0.02 0.00 0.00 34.50 32.21 3dqj s PRO 13 CO 0.01 -0.82 -0.15 0.42 -0.33 0.00 0.00 177.00 176.12 3dqj s ILE 14 N -1.65 1.23 -0.03 2.83 1.01 0.05 -1.54 121.20 123.10 3dqj s ILE 14 Ca 0.70 -1.03 0.04 0.00 0.00 0.00 0.00 60.65 60.36 3dqj s ILE 14 Cb -0.27 -1.10 -0.00 0.00 0.01 0.00 0.00 42.46 41.09 3dqj s ILE 14 CO 0.31 0.05 -0.15 -0.22 0.00 0.00 0.00 174.94 174.93 3dqj s LEU 15 N -1.13 1.91 -0.02 2.97 2.96 -0.41 -2.24 118.68 122.73 3dqj s LEU 15 Ca 0.03 -0.31 0.06 0.00 -0.22 0.00 0.00 54.13 53.69 3dqj s LEU 15 Cb -0.08 -0.86 -0.01 0.00 0.50 0.00 0.00 46.19 45.74 3dqj s LEU 15 CO 0.01 0.14 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.31 3dqj s VAL 16 N -0.01 1.45 -0.03 1.68 1.01 0.48 -0.87 120.40 124.10 3dqj s VAL 16 Ca -0.02 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 3dqj s VAL 16 Cb -0.10 -1.20 0.03 0.00 0.00 0.00 0.00 36.38 35.11 3dqj s VAL 16 CO 0.01 0.41 0.03 -1.61 0.00 0.00 0.00 175.10 173.94 3dqj s GLU 17 N -0.40 0.12 -0.07 2.72 0.41 -0.47 -0.01 118.70 121.00 3dqj s GLU 17 Ca 0.06 0.21 0.03 0.00 -0.41 0.00 0.00 54.97 54.86 3dqj s GLU 17 Cb -0.07 -0.48 0.01 0.00 -1.78 0.00 0.00 34.13 31.80 3dqj s GLU 17 CO -0.01 -0.22 -0.15 -1.17 -0.49 0.00 0.00 175.26 173.22 3dqj s LEU 18 N 1.50 1.79 -0.24 1.80 0.20 0.86 -0.68 118.68 123.90 3dqj s LEU 18 Ca -0.03 -0.36 -0.05 0.00 0.69 0.00 0.00 54.13 54.38 3dqj s LEU 18 Cb -0.13 -0.96 -0.00 0.00 -0.43 0.00 0.00 46.19 44.67 3dqj s LEU 18 CO -0.03 0.08 -0.00 -1.81 -0.29 0.00 0.00 176.35 174.30 3dqj s ASP 19 N 0.46 4.58 0.04 3.68 1.01 -0.75 -1.50 116.67 124.20 3dqj s ASP 19 Ca -0.13 -0.47 0.06 0.00 0.71 0.00 0.00 52.55 52.72 3dqj s ASP 19 Cb -0.15 -1.78 -0.02 0.00 1.01 0.00 0.00 42.92 41.97 3dqj s ASP 19 CO 0.04 -0.07 -0.18 -0.83 0.21 0.00 0.00 175.17 174.34 3dqj s GLY 20 N 1.49 1.00 -0.16 0.21 0.00 0.12 -0.86 107.32 109.13 3dqj s GLY 20 Ca 0.05 -0.98 -0.04 0.00 0.00 0.00 0.00 44.72 43.75 3dqj s GLY 20 CO -0.01 -0.92 0.14 -0.35 0.00 0.00 0.00 173.10 171.96 3dqj s ASP 21 N -1.16 1.65 -0.26 1.64 -1.08 -0.80 -0.81 116.67 115.84 3dqj s ASP 21 Ca 0.05 -0.26 -0.01 0.00 -0.52 0.00 0.00 52.55 51.81 3dqj s ASP 21 Cb -0.08 0.06 0.03 0.00 -1.46 0.00 0.00 42.92 41.47 3dqj s ASP 21 CO 0.02 -0.32 -0.06 -0.69 0.52 0.00 0.00 175.17 174.64 3dqj s VAL 22 N 2.23 2.81 -1.40 1.11 1.01 -0.43 -0.58 120.40 125.15 3dqj s VAL 22 Ca 0.04 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.86 3dqj s VAL 22 Cb -0.15 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.75 3dqj s VAL 22 CO -0.09 0.12 0.00 0.59 0.00 0.00 0.00 175.10 175.72 3dqj n ASN 23 N 4.63 -4.79 0.00 3.32 4.13 -0.54 -0.59 115.26 121.43 3dqj n ASN 23 Ca -0.16 0.11 0.00 0.00 1.68 0.00 0.00 54.58 56.22 3dqj n ASN 23 Cb 0.46 -4.04 0.00 0.00 -1.54 0.00 0.00 39.78 34.66 3dqj n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dqj n GLY 24 N -0.88 0.89 3.52 7.41 0.00 -1.26 -4.99 105.19 109.88 3dqj n GLY 24 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 3dqj n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dqj s HIS 25 N -3.53 2.51 0.33 1.61 3.76 0.24 -5.02 115.29 115.19 3dqj s HIS 25 Ca 0.00 -0.14 -0.26 0.00 -0.15 0.00 0.00 55.06 54.51 3dqj s HIS 25 Cb 0.00 -4.44 -0.10 0.00 1.11 0.00 0.00 32.58 29.16 3dqj s HIS 25 CO 0.00 -1.79 0.95 0.15 -0.85 0.00 0.00 174.74 173.20 3dqj s LYS 26 N 4.88 4.57 0.07 1.40 1.02 -1.26 -1.31 119.74 129.11 3dqj s LYS 26 Ca 0.31 1.33 -0.26 0.00 0.02 0.00 0.00 55.97 57.37 3dqj s LYS 26 Cb -0.11 -2.79 0.09 0.00 -0.52 0.00 0.00 37.83 34.50 3dqj s LYS 26 CO 0.15 0.27 0.75 -0.59 -0.92 0.00 0.00 175.35 175.01 3dqj s PHE 27 N -1.62 -0.45 0.02 3.18 -0.71 0.01 -4.93 117.98 113.48 3dqj s PHE 27 Ca 0.50 0.31 0.03 0.00 -1.04 0.00 0.00 56.93 56.73 3dqj s PHE 27 Cb -0.19 0.54 -0.02 0.00 -1.21 0.00 0.00 43.02 42.15 3dqj s PHE 27 CO 0.24 -0.68 -0.10 -1.12 -1.34 0.00 0.00 175.22 172.21 3dqj s SER 28 N -2.53 1.19 -0.02 1.98 0.01 -1.26 0.12 113.70 113.19 3dqj s SER 28 Ca 0.02 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 56.93 3dqj s SER 28 Cb -0.01 -0.07 0.01 0.00 0.21 0.00 0.00 66.02 66.16 3dqj s SER 28 CO -0.10 -0.01 -0.03 -0.69 0.41 0.00 0.00 173.24 172.82 3dqj s VAL 29 N -0.75 0.36 -0.09 3.43 1.01 -0.56 -1.63 120.40 122.18 3dqj s VAL 29 Ca -0.01 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.87 3dqj s VAL 29 Cb -0.07 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 3dqj s VAL 29 CO 0.01 0.15 -0.10 -0.44 0.00 0.00 0.00 175.10 174.71 3dqj s SER 30 N 0.46 4.35 0.16 3.32 0.01 -0.59 -0.10 113.70 121.31 3dqj s SER 30 Ca -0.05 -0.16 0.08 0.00 1.31 0.00 0.00 55.95 57.13 3dqj s SER 30 Cb -0.09 -1.28 -0.04 0.00 0.21 0.00 0.00 66.02 64.82 3dqj s SER 30 CO -0.00 0.28 -0.18 -0.83 0.41 0.00 0.00 173.24 172.92 3dqj s GLY 31 N -0.33 1.37 0.02 3.44 0.00 0.98 -0.61 107.32 112.19 3dqj s GLY 31 Ca 0.04 -1.48 -0.02 0.00 0.00 0.00 0.00 44.72 43.25 3dqj s GLY 31 CO 0.02 -1.53 0.02 -0.54 0.00 0.00 0.00 173.10 171.07 3dqj s GLU 32 N -2.83 0.37 0.00 2.90 2.02 -0.70 -0.39 118.70 120.07 3dqj s GLU 32 Ca 0.15 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.59 3dqj s GLU 32 Cb -0.05 0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.32 3dqj s GLU 32 CO 0.06 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.68 3dqj n GLY 33 N 1.52 -0.70 3.44 -1.39 0.00 -0.95 -0.57 105.19 106.54 3dqj n GLY 33 Ca -0.23 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 3dqj n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dqj s GLU 34 N -0.96 1.20 0.10 1.61 -1.05 -0.35 -0.77 118.70 118.48 3dqj s GLU 34 Ca 0.00 -0.28 0.07 0.00 -0.15 0.00 0.00 54.97 54.61 3dqj s GLU 34 Cb 0.00 0.55 -0.03 0.00 -0.44 0.00 0.00 34.13 34.21 3dqj s GLU 34 CO 0.00 -0.48 -0.19 0.20 0.95 0.00 0.00 175.26 175.74 3dqj s GLY 35 N -2.31 1.15 -0.40 -3.83 0.00 0.53 -2.00 107.32 100.46 3dqj s GLY 35 Ca -0.02 -1.21 0.02 0.00 0.00 0.00 0.00 44.72 43.51 3dqj s GLY 35 CO -0.06 -1.22 0.27 -0.35 0.00 0.00 0.00 173.10 171.73 3dqj s ASP 36 N -1.94 2.70 0.59 1.64 2.15 0.06 -0.59 116.67 121.29 3dqj s ASP 36 Ca 0.05 -2.60 0.32 0.00 0.43 0.00 0.00 52.55 50.75 3dqj s ASP 36 Cb -0.09 -0.57 1.86 0.00 -0.30 0.00 0.00 42.92 43.81 3dqj s ASP 36 CO 0.04 -0.25 2.25 0.00 -0.17 0.00 0.00 175.17 177.03 3dqj h ALA 37 N 6.48 1.41 -0.59 3.66 0.00 -1.75 -0.65 119.26 127.82 3dqj h ALA 37 Ca 0.11 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.10 3dqj h ALA 37 Cb 0.93 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 3dqj h ALA 37 CO 0.35 0.02 0.39 1.15 0.00 0.00 0.00 179.25 181.17 3dqj h THR 38 N 0.00 0.91 -0.30 0.00 2.02 -1.86 -1.68 112.91 112.00 3dqj h THR 38 Ca -0.00 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3dqj h THR 38 Cb 0.06 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3dqj h THR 38 CO 0.00 0.08 0.00 -1.22 0.37 0.00 0.00 175.52 174.75 3dqj n TYR 39 N -4.47 0.39 -1.99 3.16 4.01 -0.57 -4.95 117.16 112.73 3dqj n TYR 39 Ca 0.09 -0.31 -0.16 0.00 -0.16 0.00 0.00 57.90 57.36 3dqj n TYR 39 Cb 0.35 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.33 3dqj n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dqj n GLY 40 N 0.88 0.42 3.60 2.72 0.00 -0.63 -4.72 105.19 107.46 3dqj n GLY 40 Ca 0.13 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 3dqj n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dqj s LYS 41 N -4.27 3.73 0.01 1.61 2.20 -0.36 -0.60 119.74 122.06 3dqj s LYS 41 Ca 0.00 -0.40 0.02 0.00 -0.36 0.00 0.00 55.97 55.23 3dqj s LYS 41 Cb 0.00 -3.06 -0.01 0.00 -1.51 0.00 0.00 37.83 33.25 3dqj s LYS 41 CO 0.00 0.34 -0.06 -0.51 -0.36 0.00 0.00 175.35 174.76 3dqj s LEU 42 N 0.15 2.07 -0.13 5.43 1.02 -0.30 -0.76 118.68 126.17 3dqj s LEU 42 Ca 0.02 -0.21 -0.01 0.00 0.02 0.00 0.00 54.13 53.95 3dqj s LEU 42 Cb -0.13 -0.26 0.04 0.00 0.02 0.00 0.00 46.19 45.86 3dqj s LEU 42 CO 0.01 0.00 -0.02 -0.89 0.02 0.00 0.00 176.35 175.48 3dqj s THR 43 N -0.43 0.71 0.02 5.49 2.01 -0.85 -1.53 115.64 121.06 3dqj s THR 43 Ca -0.01 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 61.73 3dqj s THR 43 Cb -0.04 -0.91 -0.01 0.00 0.01 0.00 0.00 72.50 71.55 3dqj s THR 43 CO -0.00 0.16 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.29 3dqj s LEU 44 N 1.82 2.16 -0.13 4.42 1.43 0.24 -1.21 118.68 127.40 3dqj s LEU 44 Ca 0.03 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 3dqj s LEU 44 Cb -0.14 -0.03 0.01 0.00 0.03 0.00 0.00 46.19 46.06 3dqj s LEU 44 CO -0.07 -0.16 -0.18 -0.75 0.23 0.00 0.00 176.35 175.43 3dqj s LYS 45 N -0.97 2.55 -0.03 1.70 2.20 0.26 -0.24 119.74 125.21 3dqj s LYS 45 Ca -0.08 -0.68 -0.01 0.00 -0.36 0.00 0.00 55.97 54.84 3dqj s LYS 45 Cb -0.07 -2.16 -0.04 0.00 -1.51 0.00 0.00 37.83 34.06 3dqj s LYS 45 CO -0.00 -0.09 0.05 -0.06 -0.36 0.00 0.00 175.35 174.88 3dqj s PHE 46 N 1.05 3.23 -0.06 4.03 0.08 0.52 -1.73 117.98 125.10 3dqj s PHE 46 Ca -0.04 0.19 0.02 0.00 0.12 0.00 0.00 56.93 57.23 3dqj s PHE 46 Cb -0.15 -1.75 0.01 0.00 -0.57 0.00 0.00 43.02 40.57 3dqj s PHE 46 CO -0.04 0.52 -0.11 0.42 -0.10 0.00 0.00 175.22 175.91 3dqj s ILE 47 N -1.09 1.04 -0.32 0.64 1.01 0.22 -0.95 121.20 121.74 3dqj s ILE 47 Ca 0.19 -0.43 -0.26 0.00 0.00 0.00 0.00 60.65 60.15 3dqj s ILE 47 Cb -0.12 -0.95 0.01 0.00 0.01 0.00 0.00 42.46 41.41 3dqj s ILE 47 CO 0.10 0.33 0.93 0.00 0.00 0.00 0.00 174.94 176.30 3dqj n THR 49 N 5.75 0.17 0.63 0.00 -2.24 -0.64 -3.65 114.28 114.29 3dqj n THR 49 Ca 0.08 -0.41 0.07 0.00 -2.27 0.00 0.00 64.05 61.52 3dqj n THR 49 Cb 0.48 0.66 0.05 0.00 -2.10 0.00 0.00 70.33 69.42 3dqj n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dqj n THR 50 N 0.61 0.00 0.00 4.28 -2.24 -1.26 -5.00 114.28 110.68 3dqj n THR 50 Ca 0.17 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3dqj n THR 50 Cb 0.42 1.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.93 3dqj n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dqj n GLY 51 N 0.89 0.28 3.75 3.38 0.00 -1.24 -5.01 105.19 107.24 3dqj n GLY 51 Ca 0.08 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.30 3dqj n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dqj s LYS 52 N 0.00 4.60 -0.06 1.61 2.20 -1.26 -4.43 119.74 122.40 3dqj s LYS 52 Ca 0.00 1.78 -0.29 0.00 -0.36 0.00 0.00 55.97 57.10 3dqj s LYS 52 Cb 0.00 -3.23 -0.02 0.00 -1.51 0.00 0.00 37.83 33.06 3dqj s LYS 52 CO 0.00 0.11 0.95 -1.17 -0.36 0.00 0.00 175.35 174.88 3dqj s LEU 53 N -0.79 4.30 0.00 5.43 2.96 -1.26 -4.94 118.68 124.38 3dqj s LEU 53 Ca 0.48 1.53 0.13 0.00 -0.22 0.00 0.00 54.13 56.05 3dqj s LEU 53 Cb -0.31 -3.49 0.53 0.00 0.50 0.00 0.00 46.19 43.42 3dqj s LEU 53 CO 0.38 -0.33 1.38 -0.81 -1.32 0.00 0.00 176.35 175.65 3dqj n PRO 54 N 4.40 1.48 -4.33 0.98 -0.04 -1.26 -4.78 135.00 131.44 3dqj n PRO 54 Ca 0.06 -0.73 -0.17 0.00 -0.04 0.00 0.00 63.50 62.62 3dqj n PRO 54 Cb 0.50 -1.26 -0.10 0.00 -0.04 0.00 0.00 33.50 32.60 3dqj n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3dqj s VAL 55 N -1.79 0.96 0.19 0.52 -7.23 -1.26 -4.56 120.40 107.24 3dqj s VAL 55 Ca 0.22 -2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 58.07 3dqj s VAL 55 Cb 0.11 -2.40 -0.08 0.00 0.56 0.00 0.00 36.38 34.57 3dqj s VAL 55 CO 0.17 -0.27 1.17 -2.84 -0.31 0.00 0.00 175.10 173.03 3dqj s PRO 56 N -3.89 4.52 0.29 4.82 0.02 -1.26 -4.94 135.00 134.56 3dqj s PRO 56 Ca 0.30 1.84 0.02 0.00 0.02 0.00 0.00 61.00 63.18 3dqj s PRO 56 Cb 0.06 -3.25 0.73 0.00 0.02 0.00 0.00 34.50 32.07 3dqj s PRO 56 CO 0.10 -0.05 1.63 -1.49 -0.33 0.00 0.00 177.00 176.86 3dqj h TRP 57 N 5.17 0.31 0.00 6.54 4.06 -1.95 -0.45 115.95 129.63 3dqj h TRP 57 Ca -0.45 0.05 -0.00 0.00 2.06 0.00 0.00 58.89 60.55 3dqj h TRP 57 Cb 1.21 0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 29.38 3dqj h TRP 57 CO 0.62 -0.25 -0.01 -1.35 -3.56 0.00 0.00 178.44 173.89 3dqj h PRO 58 N 0.17 0.00 0.00 0.49 0.11 -1.90 -1.02 132.00 129.86 3dqj h PRO 58 Ca 0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.67 3dqj h PRO 58 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3dqj h PRO 58 CO -0.69 0.01 0.00 1.79 -0.21 0.00 0.00 178.00 178.90 3dqj h THR 59 N 0.00 0.00 0.00 -1.15 1.35 -1.45 -2.92 112.91 108.74 3dqj h THR 59 Ca -0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 3dqj h THR 59 Cb 0.02 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.51 3dqj h THR 59 CO 0.00 0.00 -0.90 0.18 -0.25 0.00 0.00 175.52 174.55 3dqj n LEU 60 N -2.56 0.88 0.04 3.87 4.77 -0.39 -4.68 117.00 118.94 3dqj n LEU 60 Ca 0.01 -0.38 -0.11 0.00 -0.03 0.00 0.00 56.01 55.49 3dqj n LEU 60 Cb 0.22 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 3dqj n LEU 60 CO 0.21 0.22 0.67 0.58 -1.33 0.00 0.00 177.39 177.74 3dqj h VAL 61 N 0.00 0.37 -0.87 4.08 2.07 -1.52 0.17 116.25 120.53 3dqj h VAL 61 Ca 0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 3dqj h VAL 61 Cb 0.51 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 3dqj h VAL 61 CO 0.00 0.00 0.57 0.71 0.02 0.00 0.00 177.57 178.87 3dqj h THR 62 N -0.41 0.97 -0.20 2.57 1.35 -1.83 -2.66 112.91 112.70 3dqj h THR 62 Ca 0.07 -0.30 -0.12 0.00 -0.55 0.00 0.00 66.41 65.51 3dqj h THR 62 Cb 0.51 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 66.96 3dqj h THR 62 CO -0.27 0.16 -0.35 0.74 -0.25 0.00 0.00 175.52 175.56 3dqj h THR 63 N 0.87 1.33 0.00 6.82 2.02 -1.49 -3.45 112.91 119.01 3dqj h THR 63 Ca 0.40 -1.57 -0.30 0.00 0.77 0.00 0.00 66.41 65.71 3dqj h THR 63 Cb 0.39 1.85 0.01 0.00 -1.74 0.00 0.00 68.15 68.66 3dqj h THR 63 CO -0.17 0.48 2.04 0.49 0.37 0.00 0.00 175.52 178.74 3dqj n PHE 64 N -4.29 1.03 0.00 3.16 3.72 -0.09 -5.07 117.46 115.92 3dqj n PHE 64 Ca -0.06 -1.65 0.00 0.00 -0.05 0.00 0.00 57.45 55.69 3dqj n PHE 64 Cb 0.50 -1.48 0.00 0.00 -0.94 0.00 0.00 39.48 37.56 3dqj n PHE 64 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3dqj n LEU 68 N 3.99 0.00 0.26 4.37 4.77 -1.26 -5.06 117.00 124.08 3dqj n LEU 68 Ca 0.37 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.52 3dqj n LEU 68 Cb 0.18 0.00 0.64 0.00 -2.33 0.00 0.00 43.42 41.91 3dqj n LEU 68 CO 0.60 0.00 0.97 0.24 -1.33 0.00 0.00 177.39 177.87 3dqj h MET 69 N 0.00 0.00 -0.08 3.23 2.86 -2.00 -1.84 114.93 117.11 3dqj h MET 69 Ca 0.00 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 3dqj h MET 69 Cb 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 3dqj h MET 69 CO 0.00 0.00 0.33 0.00 1.06 0.00 0.00 176.91 178.30 3dqj n PHE 71 N -3.08 0.17 -1.71 0.00 3.72 -0.69 -4.70 117.46 111.17 3dqj n PHE 71 Ca -0.00 -0.08 -0.42 0.00 -0.05 0.00 0.00 57.45 56.89 3dqj n PHE 71 Cb 0.40 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.93 3dqj n PHE 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dqj n ALA 72 N 0.24 1.42 -2.56 4.37 0.00 -0.61 -4.04 120.51 119.33 3dqj n ALA 72 Ca 0.17 0.36 -0.43 0.00 0.00 0.00 0.00 53.44 53.54 3dqj n ALA 72 Cb 0.32 -2.28 -0.05 0.00 0.00 0.00 0.00 19.45 17.44 3dqj n ALA 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3dqj s ARG 73 N -1.77 3.44 -0.20 0.00 3.52 0.95 -4.74 118.95 120.15 3dqj s ARG 73 Ca 0.56 -0.03 -0.21 0.00 -0.13 0.00 0.00 55.73 55.92 3dqj s ARG 73 Cb -0.56 -3.94 -0.02 0.00 -1.56 0.00 0.00 34.95 28.86 3dqj s ARG 73 CO 0.61 -1.18 0.65 0.71 -0.81 0.00 0.00 175.30 175.29 3dqj s TYR 74 N 3.49 3.37 0.63 5.12 1.51 -1.26 -0.62 117.35 129.59 3dqj s TYR 74 Ca 0.32 0.95 -0.18 0.00 -1.01 0.00 0.00 57.07 57.16 3dqj s TYR 74 Cb -0.11 -2.83 -0.05 0.00 -0.11 0.00 0.00 41.96 38.86 3dqj s TYR 74 CO 0.24 -0.20 0.79 -2.30 -1.11 0.00 0.00 175.55 172.97 3dqj n PRO 75 N 5.15 0.65 -0.23 -1.71 -0.02 -1.26 -4.74 135.00 132.84 3dqj n PRO 75 Ca -0.01 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3dqj n PRO 75 Cb 0.49 -2.01 0.07 0.00 -0.02 0.00 0.00 33.50 32.04 3dqj n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3dqj h ASP 76 N 0.18 -0.60 0.02 2.55 3.58 -2.00 0.11 116.42 120.25 3dqj h ASP 76 Ca -0.47 0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.18 3dqj h ASP 76 Cb 1.37 0.41 0.00 0.00 1.72 0.00 0.00 39.33 42.83 3dqj h ASP 76 CO 0.48 -0.22 0.00 0.00 -2.88 0.00 0.00 179.24 176.62 3dqj n HIS 77 N -5.44 0.00 0.07 0.28 1.44 -1.26 -2.53 115.22 107.78 3dqj n HIS 77 Ca 0.09 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.83 3dqj n HIS 77 Cb 0.35 -0.47 0.07 0.00 0.12 0.00 0.00 29.99 30.06 3dqj n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3dqj n MET 78 N -1.47 1.59 0.27 -1.40 2.81 0.36 -4.73 117.12 114.56 3dqj n MET 78 Ca 0.00 -1.43 0.13 0.00 -1.81 0.00 0.00 57.70 54.59 3dqj n MET 78 Cb 0.01 -1.16 0.77 0.00 -0.71 0.00 0.00 33.22 32.13 3dqj n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3dqj h LYS 79 N 1.34 0.00 0.00 0.03 1.79 -1.39 -0.61 116.57 117.73 3dqj h LYS 79 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3dqj h LYS 79 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 3dqj h LYS 79 CO 0.00 0.09 0.00 1.04 -1.08 0.00 0.00 179.45 179.50 3dqj n GLN 80 N -3.70 0.17 -0.13 3.15 6.02 -1.26 -2.99 117.38 118.64 3dqj n GLN 80 Ca -0.02 0.17 0.04 0.00 -0.01 0.00 0.00 57.00 57.19 3dqj n GLN 80 Cb 0.20 -1.50 0.10 0.00 1.02 0.00 0.00 30.24 30.06 3dqj n GLN 80 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3dqj n HIS 81 N -1.30 0.27 -3.11 1.08 8.25 -0.24 -4.67 115.22 115.51 3dqj n HIS 81 Ca 0.06 -0.62 -0.45 0.00 -0.26 0.00 0.00 57.72 56.44 3dqj n HIS 81 Cb 0.10 -0.09 -0.02 0.00 1.12 0.00 0.00 29.99 31.10 3dqj n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3dqj s ASP 82 N -1.40 6.80 0.21 0.41 -1.08 -1.16 -4.48 116.67 115.96 3dqj s ASP 82 Ca 0.18 -2.55 -0.10 0.00 -0.52 0.00 0.00 52.55 49.56 3dqj s ASP 82 Cb 0.13 -2.31 0.17 0.00 -1.46 0.00 0.00 42.92 39.44 3dqj s ASP 82 CO 0.07 -0.77 1.86 0.15 0.52 0.00 0.00 175.17 176.99 3dqj h PHE 83 N 8.04 0.84 -0.15 -5.34 3.57 -1.91 -2.94 116.94 119.06 3dqj h PHE 83 Ca 0.16 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3dqj h PHE 83 Cb 1.00 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 3dqj h PHE 83 CO 1.07 0.50 0.10 0.74 -2.23 0.00 0.00 178.31 178.49 3dqj h PHE 84 N 0.89 0.19 -0.19 0.41 0.04 -1.88 -1.68 116.94 114.71 3dqj h PHE 84 Ca 0.27 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.90 3dqj h PHE 84 Cb -0.02 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 3dqj h PHE 84 CO -0.04 0.12 -0.48 0.87 -0.60 0.00 0.00 178.31 178.19 3dqj h LYS 85 N 0.19 0.50 -0.31 1.51 1.57 -1.84 -3.16 116.57 115.03 3dqj h LYS 85 Ca 0.05 -0.28 -0.07 0.00 -1.87 0.00 0.00 60.65 58.48 3dqj h LYS 85 Cb -0.02 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3dqj h LYS 85 CO -0.01 0.87 -0.09 0.66 -0.57 0.00 0.00 179.45 180.31 3dqj h SER 86 N 0.40 0.50 0.40 0.86 4.64 -1.14 -1.00 113.55 118.21 3dqj h SER 86 Ca 0.02 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3dqj h SER 86 Cb 0.99 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 3dqj h SER 86 CO 0.09 0.63 0.00 0.00 -0.87 0.00 0.00 176.83 176.68 3dqj n ALA 87 N -2.48 1.38 -2.20 5.18 0.00 -0.76 -4.83 120.51 116.80 3dqj n ALA 87 Ca 0.01 0.13 -0.29 0.00 0.00 0.00 0.00 53.44 53.29 3dqj n ALA 87 Cb 0.30 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.39 3dqj n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3dqj s MET 88 N -3.41 3.64 0.00 0.00 1.00 -0.38 -0.18 119.30 119.97 3dqj s MET 88 Ca 0.01 0.35 0.28 0.00 0.00 0.00 0.00 55.69 56.34 3dqj s MET 88 Cb 0.08 -2.35 1.07 0.00 0.00 0.00 0.00 34.83 33.62 3dqj s MET 88 CO 0.30 -0.18 1.75 -0.35 0.00 0.00 0.00 175.02 176.55 3dqj n PRO 89 N -1.95 1.20 0.16 2.03 -0.04 -1.26 -4.82 135.00 130.32 3dqj n PRO 89 Ca 0.02 -0.62 0.02 0.00 -0.04 0.00 0.00 63.50 62.88 3dqj n PRO 89 Cb 0.55 -1.49 0.38 0.00 -0.04 0.00 0.00 33.50 32.90 3dqj n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3dqj h GLU 90 N 1.51 0.12 0.00 0.54 3.07 -1.90 -2.61 114.58 115.31 3dqj h GLU 90 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3dqj h GLU 90 Cb 0.43 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3dqj h GLU 90 CO 0.00 0.36 0.00 0.41 -1.40 0.00 0.00 179.01 178.38 3dqj n GLY 91 N -0.70 -2.60 3.13 -3.84 0.00 0.75 -4.67 105.19 97.28 3dqj n GLY 91 Ca -0.02 -2.08 -0.09 0.00 0.00 0.00 0.00 46.02 43.83 3dqj n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dqj s TYR 92 N -0.35 0.75 -0.17 1.61 -0.85 0.49 -1.06 117.35 117.77 3dqj s TYR 92 Ca 0.00 -1.16 -0.11 0.00 -0.52 0.00 0.00 57.07 55.27 3dqj s TYR 92 Cb 0.00 -0.46 -0.05 0.00 0.38 0.00 0.00 41.96 41.83 3dqj s TYR 92 CO 0.00 -0.45 0.21 0.08 -1.52 0.00 0.00 175.55 173.87 3dqj s VAL 93 N -3.98 5.36 -0.22 -3.49 1.01 -0.01 -0.42 120.40 118.65 3dqj s VAL 93 Ca 0.18 0.36 -0.01 0.00 0.00 0.00 0.00 61.98 62.50 3dqj s VAL 93 Cb 0.08 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.94 3dqj s VAL 93 CO -0.02 0.44 -0.10 -1.58 0.00 0.00 0.00 175.10 173.84 3dqj s GLN 94 N 0.23 2.98 -0.02 2.72 0.74 0.06 -1.75 119.66 124.63 3dqj s GLN 94 Ca 0.13 -0.87 0.07 0.00 0.05 0.00 0.00 55.36 54.73 3dqj s GLN 94 Cb -0.12 -2.88 -0.02 0.00 1.10 0.00 0.00 33.01 31.09 3dqj s GLN 94 CO 0.01 -0.31 -0.21 -1.21 -0.55 0.00 0.00 175.29 173.02 3dqj s GLU 95 N 1.34 2.21 0.08 1.67 2.02 -0.29 -0.24 118.70 125.50 3dqj s GLU 95 Ca 0.02 -0.87 0.03 0.00 0.02 0.00 0.00 54.97 54.18 3dqj s GLU 95 Cb -0.15 -2.16 -0.03 0.00 0.10 0.00 0.00 34.13 31.88 3dqj s GLU 95 CO -0.07 0.58 -0.09 1.03 0.02 0.00 0.00 175.26 176.73 3dqj s ARG 96 N -0.77 0.77 -0.08 1.61 0.52 -0.67 -1.34 118.95 118.99 3dqj s ARG 96 Ca 0.11 -1.08 0.05 0.00 -0.52 0.00 0.00 55.73 54.28 3dqj s ARG 96 Cb -0.10 -0.43 -0.00 0.00 0.52 0.00 0.00 34.95 34.93 3dqj s ARG 96 CO 0.00 0.06 -0.23 0.99 0.02 0.00 0.00 175.30 176.14 3dqj s THR 97 N -2.33 1.97 -0.20 0.02 2.01 -0.51 -1.03 115.64 115.57 3dqj s THR 97 Ca 0.02 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.05 3dqj s THR 97 Cb -0.04 -1.69 0.03 0.00 0.01 0.00 0.00 72.50 70.81 3dqj s THR 97 CO -0.01 0.54 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.68 3dqj s ILE 98 N 0.17 2.00 -0.35 1.82 1.01 0.13 -0.52 121.20 125.47 3dqj s ILE 98 Ca -0.13 -1.11 -0.13 0.00 0.00 0.00 0.00 60.65 59.29 3dqj s ILE 98 Cb -0.16 -1.92 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 3dqj s ILE 98 CO 0.07 0.34 0.24 -0.36 0.00 0.00 0.00 174.94 175.23 3dqj s PHE 99 N 1.27 3.23 -0.35 3.97 0.08 0.67 -0.94 117.98 125.91 3dqj s PHE 99 Ca 0.01 -0.30 -0.24 0.00 0.12 0.00 0.00 56.93 56.51 3dqj s PHE 99 Cb -0.15 -2.48 0.01 0.00 -0.57 0.00 0.00 43.02 39.83 3dqj s PHE 99 CO -0.10 -0.40 0.84 -0.06 -0.10 0.00 0.00 175.22 175.40 3dqj s PHE 100 N 1.71 3.12 0.10 0.36 0.40 -0.32 -1.46 117.98 121.89 3dqj s PHE 100 Ca 0.06 0.70 -0.36 0.00 -0.60 0.00 0.00 56.93 56.73 3dqj s PHE 100 Cb -0.18 -3.45 -0.16 0.00 0.51 0.00 0.00 43.02 39.74 3dqj s PHE 100 CO 0.10 -0.73 1.37 1.17 0.70 0.00 0.00 175.22 177.83 3dqj n LYS 101 N 6.50 1.28 -1.93 0.44 4.81 -0.40 -0.88 118.16 127.99 3dqj n LYS 101 Ca 0.05 0.46 -0.19 0.00 -0.87 0.00 0.00 58.31 57.76 3dqj n LYS 101 Cb 0.48 -2.12 -0.05 0.00 0.02 0.00 0.00 35.03 33.36 3dqj n LYS 101 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3dqj n ASP 102 N 2.62 -5.16 0.00 3.14 8.00 -1.26 -4.82 116.55 119.07 3dqj n ASP 102 Ca 0.18 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.96 3dqj n ASP 102 Cb 0.21 -4.47 0.00 0.00 -0.02 0.00 0.00 41.12 36.84 3dqj n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3dqj n ASP 103 N -1.50 0.00 -2.05 -2.24 -0.08 -0.06 -4.94 116.55 105.68 3dqj n ASP 103 Ca -0.20 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.08 3dqj n ASP 103 Cb 0.64 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.10 3dqj n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3dqj n GLY 104 N 0.00 -0.17 3.14 0.27 0.00 -1.16 -4.58 105.19 102.70 3dqj n GLY 104 Ca 0.00 -1.78 -0.16 0.00 0.00 0.00 0.00 46.02 44.08 3dqj n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dqj s ASN 105 N -1.00 1.40 -0.07 1.61 2.20 -0.86 -1.17 114.94 117.06 3dqj s ASN 105 Ca 0.00 -0.66 -0.02 0.00 -0.94 0.00 0.00 52.86 51.24 3dqj s ASN 105 Cb 0.00 -0.01 -0.04 0.00 -2.00 0.00 0.00 41.25 39.20 3dqj s ASN 105 CO 0.00 -0.17 0.05 -0.31 -2.94 0.00 0.00 177.10 173.74 3dqj s TYR 106 N -1.66 3.29 -0.13 1.54 2.02 -0.12 -1.52 117.35 120.78 3dqj s TYR 106 Ca -0.02 0.27 0.02 0.00 -0.37 0.00 0.00 57.07 56.96 3dqj s TYR 106 Cb -0.08 -1.80 0.01 0.00 -0.40 0.00 0.00 41.96 39.69 3dqj s TYR 106 CO 0.01 0.55 -0.17 0.15 -1.57 0.00 0.00 175.55 174.52 3dqj s LYS 107 N -1.19 2.51 0.06 -0.62 1.02 0.74 -0.69 119.74 121.57 3dqj s LYS 107 Ca 0.17 -0.66 0.08 0.00 0.02 0.00 0.00 55.97 55.57 3dqj s LYS 107 Cb -0.12 -2.12 -0.03 0.00 -0.52 0.00 0.00 37.83 35.05 3dqj s LYS 107 CO 0.06 -0.08 -0.21 0.95 -0.92 0.00 0.00 175.35 175.15 3dqj s THR 108 N 1.03 1.73 -0.11 2.17 -4.23 -0.20 -0.80 115.64 115.23 3dqj s THR 108 Ca -0.04 -1.28 -0.01 0.00 -1.18 0.00 0.00 61.69 59.17 3dqj s THR 108 Cb -0.15 -1.51 0.03 0.00 1.34 0.00 0.00 72.50 72.21 3dqj s THR 108 CO -0.04 0.17 -0.03 -0.60 -0.54 0.00 0.00 174.62 173.58 3dqj s ARG 109 N -1.32 1.07 0.14 3.99 3.52 -0.55 -1.67 118.95 124.13 3dqj s ARG 109 Ca 0.08 -0.13 0.10 0.00 -0.13 0.00 0.00 55.73 55.64 3dqj s ARG 109 Cb -0.09 -1.40 -0.04 0.00 -1.56 0.00 0.00 34.95 31.86 3dqj s ARG 109 CO 0.02 -0.32 -0.22 0.00 -0.81 0.00 0.00 175.30 173.97 3dqj s ALA 110 N 1.83 2.13 -0.17 6.12 0.00 0.67 -1.46 121.76 130.88 3dqj s ALA 110 Ca 0.04 -1.43 0.01 0.00 0.00 0.00 0.00 51.96 50.58 3dqj s ALA 110 Cb -0.13 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.73 3dqj s ALA 110 CO -0.07 0.38 -0.20 -1.21 0.00 0.00 0.00 175.76 174.66 3dqj s GLU 111 N -2.31 2.97 -0.18 0.00 2.02 -0.33 -0.76 118.70 120.11 3dqj s GLU 111 Ca 0.13 -0.83 -0.01 0.00 0.02 0.00 0.00 54.97 54.29 3dqj s GLU 111 Cb -0.09 -2.51 0.00 0.00 0.10 0.00 0.00 34.13 31.64 3dqj s GLU 111 CO 0.06 -0.15 -0.13 0.08 0.02 0.00 0.00 175.26 175.14 3dqj s VAL 112 N 1.15 2.73 0.05 2.63 1.01 0.44 -1.68 120.40 126.72 3dqj s VAL 112 Ca 0.01 -0.73 -0.28 0.00 0.00 0.00 0.00 61.98 60.99 3dqj s VAL 112 Cb -0.14 -2.18 0.09 0.00 0.00 0.00 0.00 36.38 34.15 3dqj s VAL 112 CO -0.09 0.49 1.01 -1.59 0.00 0.00 0.00 175.10 174.92 3dqj s LYS 113 N 1.18 0.88 0.20 2.72 -2.85 -0.70 -0.38 119.74 120.79 3dqj s LYS 113 Ca 0.02 -0.43 -0.26 0.00 -1.00 0.00 0.00 55.97 54.29 3dqj s LYS 113 Cb -0.14 0.33 -0.08 0.00 -2.06 0.00 0.00 37.83 35.88 3dqj s LYS 113 CO -0.05 -0.40 0.83 -0.06 0.10 0.00 0.00 175.35 175.77 3dqj s PHE 114 N -3.03 3.91 -0.48 1.78 0.08 -0.98 -0.86 117.98 118.40 3dqj s PHE 114 Ca 0.10 1.72 0.00 0.00 0.12 0.00 0.00 56.93 58.87 3dqj s PHE 114 Cb -0.00 -2.83 0.13 0.00 -0.57 0.00 0.00 43.02 39.74 3dqj s PHE 114 CO -0.03 0.48 0.25 -1.21 -0.10 0.00 0.00 175.22 174.61 3dqj s GLU 115 N -1.23 2.03 7.78 0.44 0.41 0.48 -4.93 118.70 123.68 3dqj s GLU 115 Ca 0.38 -2.20 0.00 0.00 -0.41 0.00 0.00 54.97 52.75 3dqj s GLU 115 Cb -0.24 -3.49 0.00 0.00 -1.78 0.00 0.00 34.13 28.63 3dqj s GLU 115 CO 0.28 -1.08 0.00 0.41 -0.49 0.00 0.00 175.26 174.38 3dqj n GLY 116 N 3.91 3.32 0.04 -1.39 0.00 -1.26 -2.13 105.19 107.68 3dqj n GLY 116 Ca 0.03 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.04 3dqj n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dqj n ASP 117 N 5.07 0.20 -4.76 1.61 8.00 -1.26 -4.85 116.55 120.55 3dqj n ASP 117 Ca 0.00 -0.26 -0.36 0.00 0.71 0.00 0.00 54.79 54.88 3dqj n ASP 117 Cb 0.00 -0.20 -0.08 0.00 -0.02 0.00 0.00 41.12 40.83 3dqj n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3dqj s THR 118 N -2.59 5.42 -0.28 -3.53 2.01 -0.91 -4.37 115.64 111.40 3dqj s THR 118 Ca 0.27 0.22 -0.21 0.00 0.31 0.00 0.00 61.69 62.28 3dqj s THR 118 Cb 0.20 -3.47 -0.01 0.00 0.01 0.00 0.00 72.50 69.23 3dqj s THR 118 CO 0.48 0.48 0.64 -0.22 -0.69 0.00 0.00 174.62 175.31 3dqj s LEU 119 N 0.07 4.10 -0.09 4.42 1.98 -0.59 -0.38 118.68 128.19 3dqj s LEU 119 Ca 0.10 0.58 -0.01 0.00 -2.89 0.00 0.00 54.13 51.91 3dqj s LEU 119 Cb -0.11 -2.86 -0.03 0.00 0.66 0.00 0.00 46.19 43.85 3dqj s LEU 119 CO -0.00 -0.44 -0.05 -0.69 -1.89 0.00 0.00 176.35 173.28 3dqj s VAL 120 N 2.59 3.86 -0.28 1.68 1.01 -0.04 -1.29 120.40 127.93 3dqj s VAL 120 Ca 0.26 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.83 3dqj s VAL 120 Cb -0.15 -2.61 0.08 0.00 0.00 0.00 0.00 36.38 33.70 3dqj s VAL 120 CO 0.10 0.58 0.04 0.21 0.00 0.00 0.00 175.10 176.03 3dqj s ASN 121 N -0.57 3.91 -0.28 3.32 2.47 -0.05 -1.71 114.94 122.02 3dqj s ASN 121 Ca 0.09 -1.46 -0.10 0.00 0.42 0.00 0.00 52.86 51.81 3dqj s ASN 121 Cb -0.12 -1.01 -0.03 0.00 -1.45 0.00 0.00 41.25 38.64 3dqj s ASN 121 CO 0.02 -0.35 0.14 -0.13 -3.72 0.00 0.00 177.10 173.07 3dqj s ARG 122 N 1.50 3.68 0.06 0.43 0.52 -0.68 -1.37 118.95 123.09 3dqj s ARG 122 Ca 0.04 -0.49 0.07 0.00 -0.52 0.00 0.00 55.73 54.83 3dqj s ARG 122 Cb -0.18 -3.54 -0.03 0.00 0.52 0.00 0.00 34.95 31.73 3dqj s ARG 122 CO -0.15 -0.25 -0.19 0.42 0.02 0.00 0.00 175.30 175.15 3dqj s ILE 123 N 1.68 1.52 -0.07 1.52 1.01 0.14 -1.18 121.20 125.82 3dqj s ILE 123 Ca 0.06 -1.27 0.05 0.00 0.00 0.00 0.00 60.65 59.49 3dqj s ILE 123 Cb -0.16 -1.36 -0.00 0.00 0.01 0.00 0.00 42.46 40.95 3dqj s ILE 123 CO 0.07 0.05 -0.22 -1.61 0.00 0.00 0.00 174.94 173.24 3dqj s GLU 124 N -1.42 2.47 -0.08 2.79 2.02 -0.53 -1.81 118.70 122.14 3dqj s GLU 124 Ca 0.05 -0.80 0.02 0.00 0.02 0.00 0.00 54.97 54.27 3dqj s GLU 124 Cb -0.09 -2.01 0.01 0.00 0.10 0.00 0.00 34.13 32.14 3dqj s GLU 124 CO 0.02 0.26 -0.14 -1.17 0.02 0.00 0.00 175.26 174.26 3dqj s LEU 125 N 0.10 1.68 -0.10 1.80 0.20 -0.04 -1.49 118.68 120.83 3dqj s LEU 125 Ca -0.09 -0.35 0.04 0.00 0.69 0.00 0.00 54.13 54.41 3dqj s LEU 125 Cb -0.15 -0.94 0.00 0.00 -0.43 0.00 0.00 46.19 44.68 3dqj s LEU 125 CO 0.05 0.04 -0.23 -0.54 -0.29 0.00 0.00 176.35 175.38 3dqj s LYS 126 N 0.74 2.93 -0.08 1.98 3.01 0.02 -1.91 119.74 126.42 3dqj s LYS 126 Ca -0.13 -0.83 0.01 0.00 -1.01 0.00 0.00 55.97 54.01 3dqj s LYS 126 Cb -0.16 -2.25 -0.02 0.00 -1.01 0.00 0.00 37.83 34.39 3dqj s LYS 126 CO 0.03 0.13 -0.11 0.20 0.51 0.00 0.00 175.35 176.10 3dqj s GLY 127 N 0.46 1.59 0.16 -3.33 0.00 0.25 -0.18 107.32 106.26 3dqj s GLY 127 Ca -0.16 -0.92 0.01 0.00 0.00 0.00 0.00 44.72 43.64 3dqj s GLY 127 CO 0.06 -0.54 0.02 -0.26 0.00 0.00 0.00 173.10 172.39 3dqj s ILE 128 N -0.38 0.46 -1.76 0.90 -4.36 -0.57 -1.46 121.20 114.02 3dqj s ILE 128 Ca 0.05 -1.95 0.00 0.00 -0.26 0.00 0.00 60.65 58.48 3dqj s ILE 128 Cb -0.12 -2.09 0.00 0.00 1.25 0.00 0.00 42.46 41.49 3dqj s ILE 128 CO 0.02 -0.47 0.00 0.47 0.24 0.00 0.00 174.94 175.20 3dqj n ASP 129 N -0.19 -5.20 -4.82 4.36 8.00 -1.26 -2.02 116.55 115.43 3dqj n ASP 129 Ca -0.06 0.22 -0.33 0.00 0.71 0.00 0.00 54.79 55.32 3dqj n ASP 129 Cb 0.63 -4.46 -0.06 0.00 -0.02 0.00 0.00 41.12 37.21 3dqj n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dqj s PHE 130 N -2.78 3.25 -0.17 1.24 0.08 -1.26 -2.96 117.98 115.37 3dqj s PHE 130 Ca 0.00 1.59 -0.23 0.00 0.12 0.00 0.00 56.93 58.41 3dqj s PHE 130 Cb 0.00 -2.90 -0.02 0.00 -0.57 0.00 0.00 43.02 39.53 3dqj s PHE 130 CO 0.00 -0.30 0.72 0.15 -0.10 0.00 0.00 175.22 175.69 3dqj s LYS 131 N -3.27 4.27 0.50 0.44 1.02 -1.26 -4.90 119.74 116.53 3dqj s LYS 131 Ca 0.63 0.80 0.25 0.00 0.02 0.00 0.00 55.97 57.68 3dqj s LYS 131 Cb -0.11 -3.56 1.33 0.00 -0.52 0.00 0.00 37.83 34.97 3dqj s LYS 131 CO 0.16 -0.25 1.91 0.93 -0.92 0.00 0.00 175.35 177.19 3dqj h GLU 132 N 7.35 0.13 -0.32 1.68 4.39 -1.96 -0.43 114.58 125.42 3dqj h GLU 132 Ca -0.31 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.38 3dqj h GLU 132 Cb 1.14 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 3dqj h GLU 132 CO 0.80 0.08 0.00 -0.40 -1.16 0.00 0.00 179.01 178.33 3dqj n ASP 133 N -4.37 3.97 -2.05 1.42 5.75 -1.26 -3.48 116.55 116.53 3dqj n ASP 133 Ca 0.16 -2.83 0.00 0.00 -0.01 0.00 0.00 54.79 52.11 3dqj n ASP 133 Cb 0.77 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 3dqj n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dqj n GLY 134 N -0.16 -0.46 0.25 6.12 0.00 -0.17 -4.65 105.19 106.12 3dqj n GLY 134 Ca 0.21 -1.76 0.09 0.00 0.00 0.00 0.00 46.02 44.56 3dqj n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3dqj h ASN 135 N 0.00 0.00 0.00 1.61 2.35 -1.91 0.23 115.58 117.86 3dqj h ASN 135 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3dqj h ASN 135 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3dqj h ASN 135 CO 0.00 0.12 0.00 -0.38 -1.65 0.00 0.00 177.43 175.52 3dqj n ILE 136 N -4.09 0.00 0.31 2.81 -0.00 -1.26 -0.62 119.36 116.50 3dqj n ILE 136 Ca -0.02 0.44 0.19 0.00 -0.00 0.00 0.00 62.75 63.36 3dqj n ILE 136 Cb 0.20 -1.38 0.99 0.00 -0.00 0.00 0.00 39.64 39.45 3dqj n ILE 136 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 3dqj h LEU 137 N 0.00 0.00 -2.07 1.39 3.38 -1.73 -1.99 115.31 114.30 3dqj h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dqj h LEU 137 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3dqj h LEU 137 CO 0.00 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.16 3dqj n GLY 138 N -0.82 1.57 3.90 0.83 0.00 0.81 -4.82 105.19 106.66 3dqj n GLY 138 Ca -0.02 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 3dqj n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dqj n HIS 139 N 1.17 -1.66 -0.61 1.61 8.25 -0.75 -4.90 115.22 118.34 3dqj n HIS 139 Ca 0.19 0.44 0.08 0.00 -0.26 0.00 0.00 57.72 58.18 3dqj n HIS 139 Cb 0.50 -3.30 0.30 0.00 1.12 0.00 0.00 29.99 28.60 3dqj n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3dqj n LYS 140 N -4.50 3.42 -3.73 -0.41 5.02 0.20 -4.96 118.16 113.21 3dqj n LYS 140 Ca -0.17 -2.72 -0.37 0.00 -2.02 0.00 0.00 58.31 53.03 3dqj n LYS 140 Cb 0.62 -1.76 -0.06 0.00 -0.02 0.00 0.00 35.03 33.80 3dqj n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dqj s LEU 141 N -1.88 4.37 0.57 -0.35 1.43 -1.25 -1.22 118.68 120.36 3dqj s LEU 141 Ca 0.44 0.56 -0.18 0.00 -1.03 0.00 0.00 54.13 53.91 3dqj s LEU 141 Cb 0.29 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 44.24 3dqj s LEU 141 CO 0.20 0.32 1.13 -1.61 0.23 0.00 0.00 176.35 176.62 3dqj s GLU 142 N -0.69 3.23 -1.30 1.70 2.02 -0.13 -4.87 118.70 118.66 3dqj s GLU 142 Ca 0.16 1.57 -0.11 0.00 0.02 0.00 0.00 54.97 56.61 3dqj s GLU 142 Cb -0.13 -1.99 0.14 0.00 0.10 0.00 0.00 34.13 32.25 3dqj s GLU 142 CO 0.05 -0.94 1.86 0.98 0.02 0.00 0.00 175.26 177.23 3dqj n TYR 143 N -1.55 3.44 -3.65 1.61 9.36 -1.26 -4.82 117.16 120.29 3dqj n TYR 143 Ca 0.11 -2.91 -0.07 0.00 3.32 0.00 0.00 57.90 58.35 3dqj n TYR 143 Cb 0.51 -2.11 0.01 0.00 -0.63 0.00 0.00 39.34 37.12 3dqj n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3dqj n ASN 144 N 4.71 -1.41 -3.64 2.98 0.23 -1.26 -4.91 115.26 111.96 3dqj n ASN 144 Ca 0.42 -2.16 -0.10 0.00 -0.53 0.00 0.00 54.58 52.21 3dqj n ASN 144 Cb 0.38 2.41 -0.07 0.00 -2.08 0.00 0.00 39.78 40.42 3dqj n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3dqj s TYR 145 N -4.09 -0.90 0.37 -2.53 5.04 -1.26 -4.88 117.35 109.09 3dqj s TYR 145 Ca 0.14 1.96 -0.06 0.00 -2.44 0.00 0.00 57.07 56.66 3dqj s TYR 145 Cb -0.03 0.47 -0.05 0.00 0.35 0.00 0.00 41.96 42.70 3dqj s TYR 145 CO 0.10 -0.44 0.67 -0.80 -1.34 0.00 0.00 175.55 173.73 3dqj s ASN 146 N 1.06 6.42 0.45 4.32 0.01 -1.26 -4.77 114.94 121.17 3dqj s ASN 146 Ca -0.05 0.86 -0.14 0.00 -0.71 0.00 0.00 52.86 52.82 3dqj s ASN 146 Cb -0.05 -2.21 -0.07 0.00 0.41 0.00 0.00 41.25 39.33 3dqj s ASN 146 CO -0.11 -0.34 0.87 -0.44 -1.51 0.00 0.00 177.10 175.57 3dqj s SER 147 N -3.43 6.61 -0.28 -1.22 0.01 -1.26 -4.61 113.70 109.53 3dqj s SER 147 Ca 0.47 1.36 -0.19 0.00 1.31 0.00 0.00 55.95 58.89 3dqj s SER 147 Cb -0.10 -2.42 0.08 0.00 0.21 0.00 0.00 66.02 63.79 3dqj s SER 147 CO 0.34 -0.46 0.72 -1.00 0.41 0.00 0.00 173.24 173.25 3dqj s HIS 148 N -2.44 -0.93 0.07 2.43 3.76 -0.82 -5.02 115.29 112.33 3dqj s HIS 148 Ca 0.55 1.99 -0.23 0.00 -0.15 0.00 0.00 55.06 57.22 3dqj s HIS 148 Cb -0.10 0.49 -0.06 0.00 1.11 0.00 0.00 32.58 34.02 3dqj s HIS 148 CO 0.29 -0.46 0.70 -0.80 -0.85 0.00 0.00 174.74 173.62 3dqj s ASN 149 N 1.15 7.18 -0.25 1.40 0.02 -1.26 -0.83 114.94 122.35 3dqj s ASN 149 Ca -0.06 1.40 -0.06 0.00 -1.02 0.00 0.00 52.86 53.13 3dqj s ASN 149 Cb -0.05 -2.44 -0.01 0.00 0.02 0.00 0.00 41.25 38.77 3dqj s ASN 149 CO -0.12 0.12 0.02 -0.69 0.02 0.00 0.00 177.10 176.46 3dqj s VAL 150 N -0.53 3.82 -0.25 1.60 1.01 0.04 -4.86 120.40 121.24 3dqj s VAL 150 Ca 0.35 -0.44 -0.17 0.00 0.00 0.00 0.00 61.98 61.71 3dqj s VAL 150 Cb -0.20 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 3dqj s VAL 150 CO 0.22 0.31 0.49 -0.31 0.00 0.00 0.00 175.10 175.80 3dqj s TYR 151 N 1.53 3.28 -0.16 5.22 2.02 -1.24 -0.60 117.35 127.41 3dqj s TYR 151 Ca 0.05 0.62 -0.09 0.00 -0.37 0.00 0.00 57.07 57.28 3dqj s TYR 151 Cb -0.15 -2.68 -0.05 0.00 -0.40 0.00 0.00 41.96 38.68 3dqj s TYR 151 CO 0.00 -0.24 0.14 0.42 -1.57 0.00 0.00 175.55 174.31 3dqj s ILE 152 N 2.15 5.45 0.10 2.71 1.01 -0.02 -2.99 121.20 129.60 3dqj s ILE 152 Ca 0.20 0.22 0.03 0.00 0.00 0.00 0.00 60.65 61.11 3dqj s ILE 152 Cb -0.16 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 3dqj s ILE 152 CO 0.09 0.52 -0.10 0.00 0.00 0.00 0.00 174.94 175.46 3dqj s MET 153 N -0.27 0.86 0.58 2.79 0.23 -0.09 -2.62 119.30 120.78 3dqj s MET 153 Ca 0.12 -1.21 -0.20 0.00 -1.03 0.00 0.00 55.69 53.36 3dqj s MET 153 Cb -0.12 -0.49 -0.04 0.00 -1.53 0.00 0.00 34.83 32.66 3dqj s MET 153 CO 0.01 0.07 1.29 0.00 -2.03 0.00 0.00 175.02 174.35 3dqj n ALA 154 N 0.40 1.25 -3.39 3.16 0.00 -1.24 -0.85 120.51 119.84 3dqj n ALA 154 Ca -0.15 0.07 -0.26 0.00 0.00 0.00 0.00 53.44 53.10 3dqj n ALA 154 Cb 0.58 -2.31 -0.08 0.00 0.00 0.00 0.00 19.45 17.64 3dqj n ALA 154 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3dqj n ASP 155 N -1.23 2.46 -0.33 0.00 -0.08 -0.10 -4.57 116.55 112.71 3dqj n ASP 155 Ca 0.13 -3.16 -0.04 0.00 -1.51 0.00 0.00 54.79 50.21 3dqj n ASP 155 Cb 0.46 -0.66 0.08 0.00 2.34 0.00 0.00 41.12 43.34 3dqj n ASP 155 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3dqj h LYS 156 N 4.28 1.20 0.00 -0.67 1.57 -1.94 -0.97 116.57 120.04 3dqj h LYS 156 Ca 0.16 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3dqj h LYS 156 Cb 0.74 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3dqj h LYS 156 CO 0.70 0.85 0.00 1.96 -0.57 0.00 0.00 179.45 182.38 3dqj h GLN 157 N 1.22 0.00 -0.30 3.15 4.20 -1.95 -1.70 115.11 119.72 3dqj h GLN 157 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 3dqj h GLN 157 Cb -0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3dqj h GLN 157 CO -0.06 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.73 3dqj n LYS 158 N -2.71 2.87 -2.72 1.46 5.02 -0.43 -4.98 118.16 116.67 3dqj n LYS 158 Ca -0.01 -2.23 -0.17 0.00 -2.02 0.00 0.00 58.31 53.88 3dqj n LYS 158 Cb 0.15 -1.40 -0.00 0.00 -0.02 0.00 0.00 35.03 33.76 3dqj n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3dqj n ASN 159 N 0.16 -4.35 0.00 4.39 5.15 -0.64 -4.85 115.26 115.12 3dqj n ASN 159 Ca 0.13 -0.02 0.00 0.00 -0.60 0.00 0.00 54.58 54.10 3dqj n ASN 159 Cb 0.54 -3.63 0.00 0.00 -0.53 0.00 0.00 39.78 36.16 3dqj n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dqj n GLY 160 N -1.00 4.71 3.22 8.20 0.00 -0.83 -4.45 105.19 115.04 3dqj n GLY 160 Ca -0.12 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 3dqj n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dqj s ILE 161 N 0.49 1.02 -0.04 -0.61 -4.36 -0.77 -0.92 121.20 116.01 3dqj s ILE 161 Ca 0.00 -1.94 0.06 0.00 -0.26 0.00 0.00 60.65 58.51 3dqj s ILE 161 Cb 0.00 -1.70 -0.02 0.00 1.25 0.00 0.00 42.46 41.99 3dqj s ILE 161 CO 0.00 -0.73 -0.23 -0.54 0.24 0.00 0.00 174.94 173.68 3dqj s LYS 162 N -3.55 2.37 -0.02 0.37 1.02 -0.03 -1.14 119.74 118.77 3dqj s LYS 162 Ca 0.13 -0.88 0.02 0.00 0.02 0.00 0.00 55.97 55.26 3dqj s LYS 162 Cb 0.02 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 35.18 3dqj s LYS 162 CO -0.01 0.49 -0.06 0.08 -0.92 0.00 0.00 175.35 174.94 3dqj s VAL 163 N -0.44 0.50 -0.01 3.17 1.01 -0.22 -0.92 120.40 123.50 3dqj s VAL 163 Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.81 3dqj s VAL 163 Cb -0.12 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 35.82 3dqj s VAL 163 CO 0.01 0.17 0.01 0.21 0.00 0.00 0.00 175.10 175.50 3dqj s ASN 164 N 0.19 0.08 -0.03 3.32 3.04 -1.16 -0.68 114.94 119.70 3dqj s ASN 164 Ca -0.02 0.01 -0.30 0.00 0.04 0.00 0.00 52.86 52.59 3dqj s ASN 164 Cb -0.06 -0.05 0.11 0.00 -1.54 0.00 0.00 41.25 39.71 3dqj s ASN 164 CO -0.00 -0.06 1.01 0.72 -3.04 0.00 0.00 177.10 175.73 3dqj s PHE 165 N 0.51 -0.24 -0.06 0.43 -0.71 -0.95 -3.58 117.98 113.39 3dqj s PHE 165 Ca -0.04 0.11 0.05 0.00 -1.04 0.00 0.00 56.93 56.01 3dqj s PHE 165 Cb -0.06 0.55 -0.02 0.00 -1.21 0.00 0.00 43.02 42.28 3dqj s PHE 165 CO -0.01 -0.48 -0.22 0.15 -1.34 0.00 0.00 175.22 173.32 3dqj s LYS 166 N -2.92 2.56 -0.13 1.99 1.02 -1.26 -0.04 119.74 120.96 3dqj s LYS 166 Ca 0.08 -0.85 -0.02 0.00 0.02 0.00 0.00 55.97 55.20 3dqj s LYS 166 Cb -0.01 -2.23 -0.03 0.00 -0.52 0.00 0.00 37.83 35.04 3dqj s LYS 166 CO -0.06 0.44 -0.06 0.42 -0.92 0.00 0.00 175.35 175.17 3dqj s ILE 167 N -0.29 3.73 -0.28 2.17 -1.09 -0.16 -4.98 121.20 120.29 3dqj s ILE 167 Ca 0.01 -0.43 -0.08 0.00 -2.23 0.00 0.00 60.65 57.92 3dqj s ILE 167 Cb -0.13 -2.60 -0.01 0.00 -1.58 0.00 0.00 42.46 38.15 3dqj s ILE 167 CO 0.03 0.53 0.10 -0.13 -1.23 0.00 0.00 174.94 174.24 3dqj s ARG 168 N 0.01 3.38 -0.19 2.79 3.00 -1.26 -0.05 118.95 126.63 3dqj s ARG 168 Ca -0.00 -0.67 -0.19 0.00 0.00 0.00 0.00 55.73 54.86 3dqj s ARG 168 Cb -0.14 -3.42 -0.03 0.00 0.00 0.00 0.00 34.95 31.36 3dqj s ARG 168 CO 0.03 -0.34 0.55 -1.01 0.00 0.00 0.00 175.30 174.52 3dqj s HIS 169 N 1.58 3.38 0.13 -0.53 3.76 0.22 -4.64 115.29 119.20 3dqj s HIS 169 Ca 0.05 0.83 -0.31 0.00 -0.15 0.00 0.00 55.06 55.47 3dqj s HIS 169 Cb -0.16 -2.70 -0.10 0.00 1.11 0.00 0.00 32.58 30.73 3dqj s HIS 169 CO 0.04 -0.10 1.76 -0.80 -0.85 0.00 0.00 174.74 174.79 3dqj s ASN 170 N 1.13 6.46 0.31 1.40 0.01 -1.26 -0.52 114.94 122.47 3dqj s ASN 170 Ca 0.26 2.72 -0.08 0.00 -0.71 0.00 0.00 52.86 55.04 3dqj s ASN 170 Cb -0.16 -2.57 -0.06 0.00 0.41 0.00 0.00 41.25 38.87 3dqj s ASN 170 CO 0.10 -0.96 0.62 -0.63 -1.51 0.00 0.00 177.10 174.72 3dqj s ILE 171 N 2.34 4.92 0.51 0.60 1.01 -0.56 -0.96 121.20 129.06 3dqj s ILE 171 Ca 0.78 0.34 0.23 0.00 0.00 0.00 0.00 60.65 62.00 3dqj s ILE 171 Cb -0.45 -3.70 0.39 0.00 0.01 0.00 0.00 42.46 38.71 3dqj s ILE 171 CO 0.34 -0.32 1.98 1.05 0.00 0.00 0.00 174.94 177.99 3dqj h GLU 172 N 1.76 0.09 -0.05 2.79 4.11 -1.48 -0.84 114.58 120.96 3dqj h GLU 172 Ca -0.47 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3dqj h GLU 172 Cb 1.18 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3dqj h GLU 172 CO 0.66 0.06 0.00 -0.40 0.07 0.00 0.00 179.01 179.40 3dqj n ASP 173 N -4.39 0.35 0.00 3.06 5.68 -1.26 -4.86 116.55 115.12 3dqj n ASP 173 Ca 0.11 -1.64 0.00 0.00 -0.50 0.00 0.00 54.79 52.76 3dqj n ASP 173 Cb 0.60 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 3dqj n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dqj n GLY 174 N 0.78 1.33 0.08 6.12 0.00 -0.32 -5.07 105.19 108.11 3dqj n GLY 174 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 3dqj n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dqj n SER 175 N 0.00 0.01 -4.16 1.61 2.88 -1.25 -4.83 113.62 107.88 3dqj n SER 175 Ca 0.00 -1.02 -0.18 0.00 -1.33 0.00 0.00 58.87 56.35 3dqj n SER 175 Cb 0.00 -0.02 -0.12 0.00 -0.75 0.00 0.00 64.21 63.32 3dqj n SER 175 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3dqj s VAL 176 N -0.56 1.05 -0.34 2.46 -7.23 -1.26 -1.50 120.40 113.02 3dqj s VAL 176 Ca 0.01 -1.27 -0.08 0.00 -1.81 0.00 0.00 61.98 58.83 3dqj s VAL 176 Cb -0.00 -1.02 0.03 0.00 0.56 0.00 0.00 36.38 35.95 3dqj s VAL 176 CO 0.01 -0.24 0.13 -1.58 -0.31 0.00 0.00 175.10 173.11 3dqj s GLN 177 N -1.71 2.71 0.22 4.82 2.00 0.32 -4.88 119.66 123.15 3dqj s GLN 177 Ca -0.03 -1.13 -0.30 0.00 -2.00 0.00 0.00 55.36 51.91 3dqj s GLN 177 Cb -0.10 -3.52 -0.08 0.00 0.80 0.00 0.00 33.01 30.11 3dqj s GLN 177 CO 0.02 -0.65 1.09 -0.51 -0.50 0.00 0.00 175.29 174.74 3dqj s LEU 178 N 1.45 4.52 -0.25 3.68 1.43 -1.26 -0.61 118.68 127.64 3dqj s LEU 178 Ca -0.00 2.15 -0.01 0.00 -1.03 0.00 0.00 54.13 55.23 3dqj s LEU 178 Cb -0.19 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 42.49 3dqj s LEU 178 CO 0.04 -0.17 0.04 0.00 0.23 0.00 0.00 176.35 176.48 3dqj s ALA 179 N -0.61 1.44 -0.40 4.21 0.00 0.92 -1.27 121.76 126.05 3dqj s ALA 179 Ca 0.47 -1.21 -0.21 0.00 0.00 0.00 0.00 51.96 51.01 3dqj s ALA 179 Cb -0.30 -1.40 0.01 0.00 0.00 0.00 0.00 23.12 21.43 3dqj s ALA 179 CO 0.37 -1.35 0.66 -0.51 0.00 0.00 0.00 175.76 174.92 3dqj s ASP 180 N 1.65 6.38 -0.13 0.00 1.11 -0.54 -0.99 116.67 124.16 3dqj s ASP 180 Ca 0.02 -0.07 -0.14 0.00 0.18 0.00 0.00 52.55 52.54 3dqj s ASP 180 Cb -0.18 -2.33 -0.05 0.00 1.07 0.00 0.00 42.92 41.44 3dqj s ASP 180 CO -0.13 -0.70 0.33 -1.00 1.18 0.00 0.00 175.17 174.84 3dqj s HIS 181 N 2.82 3.52 -0.11 4.23 3.76 0.94 -0.23 115.29 130.21 3dqj s HIS 181 Ca 0.24 0.70 0.03 0.00 -0.15 0.00 0.00 55.06 55.88 3dqj s HIS 181 Cb -0.14 -2.34 0.01 0.00 1.11 0.00 0.00 32.58 31.22 3dqj s HIS 181 CO 0.17 0.33 -0.21 0.71 -0.85 0.00 0.00 174.74 174.89 3dqj s TYR 182 N 0.14 2.41 0.02 1.40 1.51 0.32 -2.23 117.35 120.92 3dqj s TYR 182 Ca 0.19 -1.09 0.01 0.00 -1.01 0.00 0.00 57.07 55.17 3dqj s TYR 182 Cb -0.14 -1.65 -0.01 0.00 -0.11 0.00 0.00 41.96 40.05 3dqj s TYR 182 CO 0.06 -0.48 -0.05 -1.14 -1.11 0.00 0.00 175.55 172.84 3dqj s GLN 183 N 0.62 0.36 -0.02 -0.62 0.74 0.15 -1.42 119.66 119.47 3dqj s GLN 183 Ca -0.13 -0.45 -0.00 0.00 0.05 0.00 0.00 55.36 54.82 3dqj s GLN 183 Cb -0.17 -0.17 0.02 0.00 1.10 0.00 0.00 33.01 33.79 3dqj s GLN 183 CO 0.03 0.03 0.03 -1.14 -0.55 0.00 0.00 175.29 173.70 3dqj s GLN 184 N -0.93 -0.01 0.02 1.67 0.74 -0.45 -1.06 119.66 119.65 3dqj s GLN 184 Ca -0.07 0.13 0.07 0.00 0.05 0.00 0.00 55.36 55.54 3dqj s GLN 184 Cb -0.06 -0.13 -0.02 0.00 1.10 0.00 0.00 33.01 33.89 3dqj s GLN 184 CO -0.00 -0.10 -0.21 -0.80 -0.55 0.00 0.00 175.29 173.64 3dqj s ASN 185 N 0.61 2.43 -0.02 6.67 -0.87 -0.29 -1.14 114.94 122.34 3dqj s ASN 185 Ca -0.05 -0.47 -0.01 0.00 -1.57 0.00 0.00 52.86 50.76 3dqj s ASN 185 Cb -0.07 -0.23 0.01 0.00 -0.02 0.00 0.00 41.25 40.94 3dqj s ASN 185 CO -0.02 0.19 0.04 0.42 -2.57 0.00 0.00 177.10 175.16 3dqj s THR 186 N -0.69 -0.01 0.66 1.60 -4.23 -0.71 -1.85 115.64 110.41 3dqj s THR 186 Ca 0.08 0.05 -0.17 0.00 -1.18 0.00 0.00 61.69 60.46 3dqj s THR 186 Cb -0.08 -0.07 -0.00 0.00 1.34 0.00 0.00 72.50 73.69 3dqj s THR 186 CO 0.01 0.02 1.25 -2.16 -0.54 0.00 0.00 174.62 173.20 3dqj s PRO 187 N 0.28 2.51 -0.00 3.99 0.04 -1.26 -0.83 135.00 139.72 3dqj s PRO 187 Ca -0.02 1.91 -0.11 0.00 0.04 0.00 0.00 61.00 62.83 3dqj s PRO 187 Cb -0.03 -1.86 -0.32 0.00 0.04 0.00 0.00 34.50 32.33 3dqj s PRO 187 CO -0.01 -1.59 0.85 0.82 0.04 0.00 0.00 177.00 177.11 3dqj h ILE 188 N 0.36 1.13 -4.06 0.56 2.04 -1.37 -3.44 117.51 112.73 3dqj h ILE 188 Ca -0.50 -2.67 -0.46 0.00 1.00 0.00 0.00 64.86 62.24 3dqj h ILE 188 Cb 1.32 2.87 0.14 0.00 -0.74 0.00 0.00 36.82 40.41 3dqj h ILE 188 CO 0.52 0.84 0.25 -0.83 0.00 0.00 0.00 178.15 178.93 3dqj s GLY 189 N -4.89 1.57 0.00 5.37 0.00 -1.26 -5.03 107.32 103.08 3dqj s GLY 189 Ca -0.11 -0.45 0.23 0.00 0.00 0.00 0.00 44.72 44.38 3dqj s GLY 189 CO 0.89 0.13 1.12 1.34 0.00 0.00 0.00 173.10 176.58 3dqj n ASP 190 N -3.98 1.95 -4.73 1.64 2.03 -1.26 -5.01 116.55 107.19 3dqj n ASP 190 Ca 0.06 -1.46 -0.25 0.00 0.52 0.00 0.00 54.79 53.66 3dqj n ASP 190 Cb 0.58 0.46 0.09 0.00 -0.72 0.00 0.00 41.12 41.54 3dqj n ASP 190 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3dqj s GLY 191 N -2.49 1.76 0.65 0.27 0.00 -1.26 -5.04 107.32 101.20 3dqj s GLY 191 Ca 0.19 -1.35 -0.17 0.00 0.00 0.00 0.00 44.72 43.39 3dqj s GLY 191 CO 0.57 -0.85 1.19 2.56 0.00 0.00 0.00 173.10 176.57 3dqj s PRO 192 N -5.20 2.67 0.10 2.90 0.04 -1.26 -5.05 135.00 129.21 3dqj s PRO 192 Ca 0.64 1.72 0.03 0.00 0.04 0.00 0.00 61.00 63.43 3dqj s PRO 192 Cb -0.08 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 3dqj s PRO 192 CO 0.44 -1.41 -0.09 0.14 0.04 0.00 0.00 177.00 176.12 3dqj s VAL 193 N -1.87 0.93 -0.25 -0.36 -7.23 -1.26 -4.82 120.40 105.54 3dqj s VAL 193 Ca 0.74 -1.73 -0.29 0.00 -1.81 0.00 0.00 61.98 58.89 3dqj s VAL 193 Cb -0.28 -1.46 0.01 0.00 0.56 0.00 0.00 36.38 35.21 3dqj s VAL 193 CO 0.38 -0.63 1.10 -0.76 -0.31 0.00 0.00 175.10 174.89 3dqj s LEU 194 N -2.62 4.06 -0.22 1.32 1.43 -1.26 -5.03 118.68 116.36 3dqj s LEU 194 Ca 0.08 1.34 -0.09 0.00 -1.03 0.00 0.00 54.13 54.43 3dqj s LEU 194 Cb -0.01 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 3dqj s LEU 194 CO -0.01 -0.76 0.11 -0.76 0.23 0.00 0.00 176.35 175.16 3dqj s LEU 195 N 3.44 3.94 0.31 1.79 1.43 -1.26 -3.79 118.68 124.53 3dqj s LEU 195 Ca 0.47 0.08 -0.10 0.00 -1.03 0.00 0.00 54.13 53.55 3dqj s LEU 195 Cb -0.16 -2.03 -0.07 0.00 0.03 0.00 0.00 46.19 43.97 3dqj s LEU 195 CO 0.11 0.11 0.64 -2.16 0.23 0.00 0.00 176.35 175.28 3dqj s PRO 196 N 0.80 3.79 0.73 1.29 0.04 -1.26 -4.93 135.00 135.45 3dqj s PRO 196 Ca 0.06 0.32 -0.15 0.00 0.04 0.00 0.00 61.00 61.28 3dqj s PRO 196 Cb -0.13 -2.54 0.04 0.00 0.04 0.00 0.00 34.50 31.91 3dqj s PRO 196 CO 0.02 0.17 1.19 -0.51 0.04 0.00 0.00 177.00 177.91 3dqj s ASP 197 N -2.77 4.25 -0.21 6.66 1.01 -1.26 -3.65 116.67 120.70 3dqj s ASP 197 Ca 0.49 2.30 -0.40 0.00 0.71 0.00 0.00 52.55 55.65 3dqj s ASP 197 Cb -0.11 -2.58 -0.16 0.00 1.01 0.00 0.00 42.92 41.08 3dqj s ASP 197 CO 0.26 -2.22 1.62 0.59 0.21 0.00 0.00 175.17 175.62 3dqj n ASN 198 N -2.76 2.05 -2.07 0.27 4.13 -1.26 -4.82 115.26 110.79 3dqj n ASN 198 Ca 0.13 1.10 -0.07 0.00 1.68 0.00 0.00 54.58 57.42 3dqj n ASN 198 Cb 0.51 -1.12 -0.00 0.00 -1.54 0.00 0.00 39.78 37.62 3dqj n ASN 198 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3dqj n HIS 199 N 4.50 -1.30 -4.18 3.10 1.44 -1.08 -4.72 115.22 112.98 3dqj n HIS 199 Ca 0.25 -1.21 -0.11 0.00 -2.01 0.00 0.00 57.72 54.63 3dqj n HIS 199 Cb 0.13 0.39 -0.10 0.00 0.12 0.00 0.00 29.99 30.53 3dqj n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 3dqj s TYR 200 N -4.38 0.96 -0.13 -1.40 -0.85 -0.53 -0.84 117.35 110.17 3dqj s TYR 200 Ca 0.13 -0.99 -0.04 0.00 -0.52 0.00 0.00 57.07 55.66 3dqj s TYR 200 Cb -0.01 -0.56 -0.03 0.00 0.38 0.00 0.00 41.96 41.74 3dqj s TYR 200 CO 0.10 -0.22 -0.01 -0.51 -1.52 0.00 0.00 175.55 173.38 3dqj s LEU 201 N -3.07 3.45 -0.24 -3.49 1.43 0.23 -0.61 118.68 116.38 3dqj s LEU 201 Ca 0.16 0.00 -0.15 0.00 -1.03 0.00 0.00 54.13 53.12 3dqj s LEU 201 Cb 0.06 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 3dqj s LEU 201 CO -0.02 0.25 0.36 -0.44 0.23 0.00 0.00 176.35 176.73 3dqj s SER 202 N -0.09 6.31 -0.11 2.29 0.01 0.42 -0.78 113.70 121.76 3dqj s SER 202 Ca 0.03 0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.66 3dqj s SER 202 Cb -0.13 -2.21 -0.02 0.00 0.21 0.00 0.00 66.02 63.87 3dqj s SER 202 CO 0.02 -0.11 -0.11 -0.31 0.41 0.00 0.00 173.24 173.14 3dqj s TYR 203 N 1.64 2.84 -0.03 2.43 1.51 -0.01 -2.00 117.35 123.73 3dqj s TYR 203 Ca 0.16 -0.40 0.08 0.00 -1.01 0.00 0.00 57.07 55.90 3dqj s TYR 203 Cb -0.15 -1.80 -0.02 0.00 -0.11 0.00 0.00 41.96 39.88 3dqj s TYR 203 CO 0.08 -0.03 -0.26 -0.65 -1.11 0.00 0.00 175.55 173.59 3dqj s GLN 204 N -0.02 2.19 -0.02 -0.62 1.11 -0.52 -1.95 119.66 119.82 3dqj s GLN 204 Ca -0.02 -0.92 0.02 0.00 0.01 0.00 0.00 55.36 54.45 3dqj s GLN 204 Cb -0.14 -2.05 0.00 0.00 -1.01 0.00 0.00 33.01 29.81 3dqj s GLN 204 CO 0.04 0.52 -0.08 -1.12 0.01 0.00 0.00 175.29 174.65 3dqj s SER 205 N -0.51 1.10 -0.11 5.90 0.01 -1.26 -1.12 113.70 117.70 3dqj s SER 205 Ca 0.07 -0.17 0.02 0.00 1.31 0.00 0.00 55.95 57.18 3dqj s SER 205 Cb -0.11 -0.26 0.01 0.00 0.21 0.00 0.00 66.02 65.88 3dqj s SER 205 CO -0.00 0.07 -0.16 0.00 0.41 0.00 0.00 173.24 173.56 3dqj s ALA 206 N 0.13 1.75 -0.09 1.44 0.00 0.14 -4.59 121.76 120.54 3dqj s ALA 206 Ca -0.02 -0.77 -0.03 0.00 0.00 0.00 0.00 51.96 51.15 3dqj s ALA 206 Cb -0.07 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.17 3dqj s ALA 206 CO 0.00 -0.06 0.03 -0.51 0.00 0.00 0.00 175.76 175.22 3dqj s LEU 207 N 0.95 3.73 0.00 0.00 1.43 -1.26 -1.11 118.68 122.42 3dqj s LEU 207 Ca -0.07 0.20 -0.03 0.00 -1.03 0.00 0.00 54.13 53.19 3dqj s LEU 207 Cb -0.15 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.20 3dqj s LEU 207 CO -0.01 0.38 0.35 -1.54 0.23 0.00 0.00 176.35 175.75 3dqj n SER 208 N 2.05 -0.99 -4.06 2.29 3.41 0.12 -4.95 113.62 111.49 3dqj n SER 208 Ca -0.19 -2.09 -0.22 0.00 -0.26 0.00 0.00 58.87 56.12 3dqj n SER 208 Cb 0.54 1.76 -0.15 0.00 -0.26 0.00 0.00 64.21 66.10 3dqj n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3dqj s LYS 209 N -2.36 1.14 -0.37 4.33 -0.14 -1.26 -1.28 119.74 119.81 3dqj s LYS 209 Ca 0.15 -0.42 -0.29 0.00 -1.36 0.00 0.00 55.97 54.06 3dqj s LYS 209 Cb -0.01 -1.06 0.02 0.00 -1.68 0.00 0.00 37.83 35.10 3dqj s LYS 209 CO 0.11 0.19 1.13 0.34 -0.76 0.00 0.00 175.35 176.37 3dqj s ASP 210 N -0.01 6.79 0.63 2.83 2.15 -1.26 -4.93 116.67 122.87 3dqj s ASP 210 Ca -0.00 0.87 0.34 0.00 0.43 0.00 0.00 52.55 54.18 3dqj s ASP 210 Cb -0.08 -2.55 1.91 0.00 -0.30 0.00 0.00 42.92 41.90 3dqj s ASP 210 CO 0.00 -1.04 2.15 -0.65 -0.17 0.00 0.00 175.17 175.46 3dqj h PRO 211 N 8.68 0.00 -0.44 4.34 0.11 -2.04 -1.30 132.00 141.35 3dqj h PRO 211 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3dqj h PRO 211 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3dqj h PRO 211 CO 1.07 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.95 3dqj n ASN 212 N -3.34 4.55 -4.33 -2.05 3.02 -1.26 -4.89 115.26 106.97 3dqj n ASN 212 Ca -0.01 -2.78 -0.35 0.00 -0.03 0.00 0.00 54.58 51.41 3dqj n ASN 212 Cb 0.25 -0.57 -0.14 0.00 -0.61 0.00 0.00 39.78 38.72 3dqj n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3dqj s GLU 213 N -2.44 3.38 0.23 3.52 2.56 -0.49 -4.96 118.70 120.50 3dqj s GLU 213 Ca 0.46 -0.63 0.21 0.00 0.00 0.00 0.00 54.97 55.01 3dqj s GLU 213 Cb 0.34 -3.08 0.05 0.00 2.00 0.00 0.00 34.13 33.45 3dqj s GLU 213 CO 0.15 -0.22 1.16 0.87 -0.56 0.00 0.00 175.26 176.66 3dqj h LYS 214 N 8.13 0.00 -7.45 4.30 1.79 -1.90 -3.46 116.57 117.98 3dqj h LYS 214 Ca -0.40 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.58 3dqj h LYS 214 Cb 1.16 0.00 0.09 0.00 -1.58 0.00 0.00 32.23 31.90 3dqj h LYS 214 CO 0.60 0.10 0.39 1.03 -1.08 0.00 0.00 179.45 180.49 3dqj s ARG 215 N -3.21 2.67 0.02 3.15 0.52 -1.26 -4.99 118.95 115.84 3dqj s ARG 215 Ca 0.01 0.54 -0.30 0.00 -0.52 0.00 0.00 55.73 55.45 3dqj s ARG 215 Cb 0.08 -1.99 -0.05 0.00 0.52 0.00 0.00 34.95 33.51 3dqj s ARG 215 CO 0.76 -1.19 1.30 0.34 0.02 0.00 0.00 175.30 176.53 3dqj s ASP 216 N -4.21 6.96 0.32 0.23 -1.08 -1.26 -4.95 116.67 112.68 3dqj s ASP 216 Ca 0.59 2.04 -0.17 0.00 -0.52 0.00 0.00 52.55 54.49 3dqj s ASP 216 Cb -0.12 -2.57 0.03 0.00 -1.46 0.00 0.00 42.92 38.80 3dqj s ASP 216 CO 0.53 -0.61 0.71 -1.38 0.52 0.00 0.00 175.17 174.94 3dqj s HIS 217 N 1.81 0.06 -0.15 -5.34 -3.43 -1.26 -1.03 115.29 105.95 3dqj s HIS 217 Ca 0.61 -0.59 -0.09 0.00 -0.80 0.00 0.00 55.06 54.19 3dqj s HIS 217 Cb -0.30 0.67 0.05 0.00 -1.43 0.00 0.00 32.58 31.57 3dqj s HIS 217 CO 0.27 -1.35 0.37 1.41 -2.00 0.00 0.00 174.74 173.44 3dqj s MET 218 N -3.22 0.36 -0.19 -0.38 1.75 -0.13 -4.98 119.30 112.52 3dqj s MET 218 Ca 0.15 0.69 -0.07 0.00 -1.25 0.00 0.00 55.69 55.21 3dqj s MET 218 Cb -0.05 -0.00 -0.04 0.00 2.84 0.00 0.00 34.83 37.58 3dqj s MET 218 CO 0.10 -0.14 0.05 0.08 -0.65 0.00 0.00 175.02 174.46 3dqj s VAL 219 N 1.17 4.65 -0.11 10.11 1.01 -0.40 -0.36 120.40 136.47 3dqj s VAL 219 Ca -0.08 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.84 3dqj s VAL 219 Cb -0.08 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.22 3dqj s VAL 219 CO -0.10 0.45 -0.17 -0.22 0.00 0.00 0.00 175.10 175.06 3dqj s LEU 220 N 0.51 1.83 -0.15 3.92 2.96 0.66 -0.70 118.68 127.71 3dqj s LEU 220 Ca 0.02 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 3dqj s LEU 220 Cb -0.13 -1.18 0.01 0.00 0.50 0.00 0.00 46.19 45.39 3dqj s LEU 220 CO 0.01 0.04 -0.21 -0.22 -1.32 0.00 0.00 176.35 174.65 3dqj s LEU 221 N 0.89 2.15 0.05 -0.68 2.96 -0.26 -0.59 118.68 123.19 3dqj s LEU 221 Ca -0.08 -0.61 0.05 0.00 -0.22 0.00 0.00 54.13 53.27 3dqj s LEU 221 Cb -0.15 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 3dqj s LEU 221 CO -0.01 0.05 -0.14 -1.61 -1.32 0.00 0.00 176.35 173.32 3dqj s GLU 222 N 0.97 0.94 -0.03 1.98 2.02 -0.58 0.24 118.70 124.24 3dqj s GLU 222 Ca -0.03 -0.80 0.05 0.00 0.02 0.00 0.00 54.97 54.21 3dqj s GLU 222 Cb -0.15 -0.95 -0.01 0.00 0.10 0.00 0.00 34.13 33.12 3dqj s GLU 222 CO -0.05 0.23 -0.17 -0.06 0.02 0.00 0.00 175.26 175.22 3dqj s PHE 223 N -0.92 1.63 -0.05 1.61 0.08 -0.28 -1.15 117.98 118.91 3dqj s PHE 223 Ca 0.01 -0.37 -0.02 0.00 0.12 0.00 0.00 56.93 56.67 3dqj s PHE 223 Cb -0.08 -1.07 0.03 0.00 -0.57 0.00 0.00 43.02 41.33 3dqj s PHE 223 CO 0.01 -0.08 0.08 0.08 -0.10 0.00 0.00 175.22 175.21 3dqj s VAL 224 N -0.23 -0.13 -0.08 -0.44 1.01 0.23 -1.44 120.40 119.31 3dqj s VAL 224 Ca 0.03 0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.44 3dqj s VAL 224 Cb -0.09 -0.18 0.01 0.00 0.00 0.00 0.00 36.38 36.13 3dqj s VAL 224 CO 0.00 0.17 -0.14 -0.89 0.00 0.00 0.00 175.10 174.25 3dqj s THR 225 N 2.19 1.28 0.42 3.92 2.01 -0.84 -0.04 115.64 124.58 3dqj s THR 225 Ca 0.05 -0.55 -0.24 0.00 0.31 0.00 0.00 61.69 61.26 3dqj s THR 225 Cb -0.12 -1.16 -0.08 0.00 0.01 0.00 0.00 72.50 71.14 3dqj s THR 225 CO -0.03 0.39 1.09 0.00 -0.69 0.00 0.00 174.62 175.38 3dqj s ALA 226 N 0.71 3.06 0.24 7.40 0.00 0.21 -0.43 121.76 132.94 3dqj s ALA 226 Ca -0.13 0.79 -0.05 0.00 0.00 0.00 0.00 51.96 52.56 3dqj s ALA 226 Cb -0.16 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.67 3dqj s ALA 226 CO 0.03 -0.36 0.40 0.00 0.00 0.00 0.00 175.76 175.83 3dqj n ALA 227 N -0.18 -0.66 0.00 0.00 0.00 0.22 -4.52 120.51 115.37 3dqj n ALA 227 Ca 0.06 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.58 3dqj n ALA 227 Cb 0.49 0.74 0.00 0.00 0.00 0.00 0.00 19.45 20.68 3dqj n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dqj n GLY 228 N -0.35 0.33 3.00 0.00 0.00 -1.26 -1.45 105.19 105.46 3dqj n GLY 228 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 3dqj n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dqj s ILE 229 N -2.00 2.59 -2.00 -0.61 1.01 -1.26 -4.86 121.20 114.07 3dqj s ILE 229 Ca 0.00 -2.78 0.06 0.00 0.00 0.00 0.00 60.65 57.94 3dqj s ILE 229 Cb 0.00 -2.83 0.18 0.00 0.01 0.00 0.00 42.46 39.81 3dqj s ILE 229 CO 0.00 -0.71 0.84 0.35 0.00 0.00 0.00 174.94 175.42