#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dqc h PRO -1 N 0.00 0.00 0.56 -0.67 0.11 -2.07 -1.79 132.00 128.14 3dqc h PRO -1 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3dqc h PRO -1 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.12 3dqc h PRO -1 CO 0.00 0.00 -0.27 1.98 -0.21 0.00 0.00 178.00 179.50 3dqc h MET 0 N 0.00 -0.72 -0.85 1.05 1.85 -2.03 -3.23 114.93 111.00 3dqc h MET 0 Ca 0.01 0.05 0.21 0.00 -0.61 0.00 0.00 59.70 59.36 3dqc h MET 0 Cb 0.14 0.16 -0.13 0.00 0.43 0.00 0.00 31.60 32.21 3dqc h MET 0 CO -0.00 -0.42 0.28 0.28 -0.40 0.00 0.00 176.91 176.65 3dqc h VAL 1 N -1.09 0.44 -0.93 -5.77 2.07 -1.75 -1.29 116.25 107.93 3dqc h VAL 1 Ca -0.08 -0.11 0.13 0.00 0.82 0.00 0.00 66.70 67.46 3dqc h VAL 1 Cb 0.63 0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 3dqc h VAL 1 CO 0.13 0.06 0.60 -1.28 0.02 0.00 0.00 177.57 177.09 3dqc h SER 2 N 0.31 0.79 0.12 0.57 0.87 -1.46 -3.08 113.55 111.66 3dqc h SER 2 Ca 0.51 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 61.11 3dqc h SER 2 Cb 0.97 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 3dqc h SER 2 CO -0.56 0.42 -0.06 0.50 -0.53 0.00 0.00 176.83 176.60 3dqc h LYS 3 N 0.84 -0.15 -0.43 2.24 3.64 -1.25 -0.82 116.57 120.64 3dqc h LYS 3 Ca 0.46 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.77 3dqc h LYS 3 Cb 0.57 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 3dqc h LYS 3 CO -0.22 -0.10 -0.04 0.78 -2.27 0.00 0.00 179.45 177.60 3dqc h GLY 4 N -0.55 0.84 0.18 5.01 0.00 -1.74 -2.59 103.07 104.23 3dqc h GLY 4 Ca -0.02 -0.65 0.08 0.00 0.00 0.00 0.00 47.33 46.74 3dqc h GLY 4 CO 0.03 0.60 -0.11 -2.09 0.00 0.00 0.00 176.54 174.96 3dqc h GLU 5 N 0.61 -0.01 -0.06 4.80 4.81 -1.68 -2.73 114.58 120.32 3dqc h GLU 5 Ca 0.12 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3dqc h GLU 5 Cb 0.55 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 3dqc h GLU 5 CO 0.03 -0.01 0.13 1.49 -0.73 0.00 0.00 179.01 179.92 3dqc h GLU 6 N -0.02 0.00 0.00 1.92 4.81 -0.73 0.73 114.58 121.30 3dqc h GLU 6 Ca 0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3dqc h GLU 6 Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3dqc h GLU 6 CO -0.42 0.00 0.00 -0.07 -0.73 0.00 0.00 179.01 177.79 3dqc h LEU 7 N 0.00 0.00 -2.99 1.64 3.38 -1.42 -3.32 115.31 112.60 3dqc h LEU 7 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3dqc h LEU 7 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3dqc h LEU 7 CO -0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 3dqc n PHE 8 N -2.53 0.33 0.11 1.13 3.01 0.25 -4.75 117.46 115.00 3dqc n PHE 8 Ca 0.02 -0.61 -0.04 0.00 1.01 0.00 0.00 57.45 57.82 3dqc n PHE 8 Cb 0.29 -0.09 0.07 0.00 -0.01 0.00 0.00 39.48 39.74 3dqc n PHE 8 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3dqc h THR 9 N 1.09 1.50 -1.74 4.37 1.35 -1.67 -3.35 112.91 114.46 3dqc h THR 9 Ca 0.00 -2.45 0.00 0.00 -0.55 0.00 0.00 66.41 63.41 3dqc h THR 9 Cb 0.79 2.33 0.00 0.00 -1.73 0.00 0.00 68.15 69.54 3dqc h THR 9 CO 0.03 0.71 0.00 0.61 -0.25 0.00 0.00 175.52 176.62 3dqc n GLY 10 N 0.58 6.04 3.68 5.82 0.00 -1.26 -4.75 105.19 115.30 3dqc n GLY 10 Ca -0.01 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 3dqc n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dqc s VAL 11 N 1.64 4.89 -0.16 1.61 1.01 -1.26 -4.48 120.40 123.64 3dqc s VAL 11 Ca 0.00 1.73 -0.02 0.00 0.00 0.00 0.00 61.98 63.69 3dqc s VAL 11 Cb 0.00 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 3dqc s VAL 11 CO 0.00 0.07 -0.09 -0.69 0.00 0.00 0.00 175.10 174.39 3dqc s VAL 12 N 1.80 3.31 0.51 2.92 1.01 0.01 -4.96 120.40 124.99 3dqc s VAL 12 Ca 0.41 -0.56 -0.21 0.00 0.00 0.00 0.00 61.98 61.63 3dqc s VAL 12 Cb -0.17 -2.43 -0.07 0.00 0.00 0.00 0.00 36.38 33.71 3dqc s VAL 12 CO 0.16 0.50 1.13 -2.16 0.00 0.00 0.00 175.10 174.73 3dqc s PRO 13 N 0.61 3.54 0.02 2.72 0.04 -1.26 -0.77 135.00 139.90 3dqc s PRO 13 Ca -0.05 1.65 0.06 0.00 0.04 0.00 0.00 61.00 62.70 3dqc s PRO 13 Cb -0.15 -2.16 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 3dqc s PRO 13 CO 0.03 -0.70 -0.20 0.42 0.04 0.00 0.00 177.00 176.59 3dqc s ILE 14 N -1.71 1.56 -0.06 0.56 1.01 0.74 -1.21 121.20 122.09 3dqc s ILE 14 Ca 0.69 -1.02 0.04 0.00 0.00 0.00 0.00 60.65 60.36 3dqc s ILE 14 Cb -0.25 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 40.89 3dqc s ILE 14 CO 0.29 0.29 -0.17 -0.22 0.00 0.00 0.00 174.94 175.13 3dqc s LEU 15 N -0.86 1.86 -0.06 2.97 2.96 -0.70 -2.42 118.68 122.43 3dqc s LEU 15 Ca 0.07 -0.37 0.05 0.00 -0.22 0.00 0.00 54.13 53.66 3dqc s LEU 15 Cb -0.08 -1.00 -0.00 0.00 0.50 0.00 0.00 46.19 45.60 3dqc s LEU 15 CO 0.01 0.12 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.26 3dqc s VAL 16 N 0.28 1.70 -0.05 1.68 1.01 0.04 -0.89 120.40 124.17 3dqc s VAL 16 Ca -0.10 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.04 3dqc s VAL 16 Cb -0.14 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.80 3dqc s VAL 16 CO 0.04 0.48 -0.05 -1.61 0.00 0.00 0.00 175.10 173.96 3dqc s GLU 17 N 0.08 0.91 -0.05 2.72 0.41 -0.25 0.16 118.70 122.67 3dqc s GLU 17 Ca -0.07 -0.11 0.01 0.00 -0.41 0.00 0.00 54.97 54.39 3dqc s GLU 17 Cb -0.14 -0.94 0.02 0.00 -1.78 0.00 0.00 34.13 31.29 3dqc s GLU 17 CO 0.04 -0.11 -0.05 -1.17 -0.49 0.00 0.00 175.26 173.47 3dqc s LEU 18 N 1.08 1.30 -0.18 1.80 0.20 0.13 0.21 118.68 123.21 3dqc s LEU 18 Ca -0.08 -0.16 -0.04 0.00 0.69 0.00 0.00 54.13 54.54 3dqc s LEU 18 Cb -0.14 -0.53 -0.02 0.00 -0.43 0.00 0.00 46.19 45.07 3dqc s LEU 18 CO -0.01 -0.06 -0.04 -1.81 -0.29 0.00 0.00 176.35 174.15 3dqc s ASP 19 N 1.03 4.64 0.08 3.68 1.01 -0.68 0.18 116.67 126.61 3dqc s ASP 19 Ca -0.09 -0.22 0.07 0.00 0.71 0.00 0.00 52.55 53.02 3dqc s ASP 19 Cb -0.14 -1.77 -0.03 0.00 1.01 0.00 0.00 42.92 41.99 3dqc s ASP 19 CO -0.00 0.10 -0.17 -0.83 0.21 0.00 0.00 175.17 174.48 3dqc s GLY 20 N 0.75 1.03 -0.19 0.21 0.00 0.22 -1.30 107.32 108.04 3dqc s GLY 20 Ca -0.01 -1.08 -0.04 0.00 0.00 0.00 0.00 44.72 43.58 3dqc s GLY 20 CO 0.02 -1.09 0.19 -0.35 0.00 0.00 0.00 173.10 171.87 3dqc s ASP 21 N -1.69 1.55 -0.19 1.64 -1.08 -0.83 -1.14 116.67 114.92 3dqc s ASP 21 Ca 0.03 -0.27 -0.00 0.00 -0.52 0.00 0.00 52.55 51.79 3dqc s ASP 21 Cb -0.10 0.23 0.01 0.00 -1.46 0.00 0.00 42.92 41.61 3dqc s ASP 21 CO 0.03 -0.33 -0.16 -0.69 0.52 0.00 0.00 175.17 174.55 3dqc s VAL 22 N 2.28 2.42 -0.88 1.11 1.01 -0.45 -0.40 120.40 125.49 3dqc s VAL 22 Ca 0.05 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.21 3dqc s VAL 22 Cb -0.15 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.18 3dqc s VAL 22 CO -0.11 0.50 0.03 0.59 0.00 0.00 0.00 175.10 176.11 3dqc n ASN 23 N 4.67 -3.37 0.00 3.32 4.13 0.11 -1.13 115.26 122.98 3dqc n ASN 23 Ca -0.20 0.22 0.00 0.00 1.68 0.00 0.00 54.58 56.28 3dqc n ASN 23 Cb 0.50 -2.89 0.00 0.00 -1.54 0.00 0.00 39.78 35.85 3dqc n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dqc n GLY 24 N -0.77 0.73 3.51 7.41 0.00 -1.26 -4.99 105.19 109.81 3dqc n GLY 24 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 3dqc n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dqc s HIS 25 N -2.87 2.68 0.27 1.61 3.76 -0.29 -5.03 115.29 115.42 3dqc s HIS 25 Ca 0.00 -0.13 -0.24 0.00 -0.15 0.00 0.00 55.06 54.54 3dqc s HIS 25 Cb 0.00 -4.24 -0.09 0.00 1.11 0.00 0.00 32.58 29.35 3dqc s HIS 25 CO 0.00 -1.55 0.86 0.15 -0.85 0.00 0.00 174.74 173.35 3dqc s LYS 26 N 4.30 4.49 0.04 1.40 1.02 -1.26 -1.35 119.74 128.38 3dqc s LYS 26 Ca 0.30 1.17 -0.27 0.00 0.02 0.00 0.00 55.97 57.19 3dqc s LYS 26 Cb -0.13 -2.89 0.08 0.00 -0.52 0.00 0.00 37.83 34.37 3dqc s LYS 26 CO 0.17 0.35 0.69 -0.59 -0.92 0.00 0.00 175.35 175.05 3dqc s PHE 27 N -1.53 -0.55 -0.02 3.18 -0.71 -0.29 -4.95 117.98 113.11 3dqc s PHE 27 Ca 0.46 0.63 0.04 0.00 -1.04 0.00 0.00 56.93 57.02 3dqc s PHE 27 Cb -0.19 0.49 -0.01 0.00 -1.21 0.00 0.00 43.02 42.11 3dqc s PHE 27 CO 0.23 -0.69 -0.14 -1.12 -1.34 0.00 0.00 175.22 172.16 3dqc s SER 28 N -2.03 1.73 -0.05 1.98 0.01 -1.26 0.70 113.70 114.79 3dqc s SER 28 Ca -0.03 -0.27 0.04 0.00 1.31 0.00 0.00 55.95 56.99 3dqc s SER 28 Cb -0.01 -0.34 0.00 0.00 0.21 0.00 0.00 66.02 65.88 3dqc s SER 28 CO -0.03 0.15 -0.16 -0.69 0.41 0.00 0.00 173.24 172.92 3dqc s VAL 29 N -0.10 1.33 -0.08 3.43 1.01 0.13 -2.03 120.40 124.08 3dqc s VAL 29 Ca 0.01 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.35 3dqc s VAL 29 Cb -0.08 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 3dqc s VAL 29 CO 0.00 0.39 -0.09 -0.44 0.00 0.00 0.00 175.10 174.97 3dqc s SER 30 N 0.18 4.48 0.05 3.32 0.01 -0.66 0.17 113.70 121.26 3dqc s SER 30 Ca -0.06 -0.10 0.06 0.00 1.31 0.00 0.00 55.95 57.16 3dqc s SER 30 Cb -0.12 -1.23 -0.03 0.00 0.21 0.00 0.00 66.02 64.85 3dqc s SER 30 CO 0.03 0.31 -0.17 -0.83 0.41 0.00 0.00 173.24 172.99 3dqc s GLY 31 N -0.52 0.94 0.03 3.44 0.00 0.12 -0.38 107.32 110.94 3dqc s GLY 31 Ca 0.08 -0.96 0.01 0.00 0.00 0.00 0.00 44.72 43.85 3dqc s GLY 31 CO 0.02 -0.93 -0.05 -0.54 0.00 0.00 0.00 173.10 171.60 3dqc s GLU 32 N -1.33 0.40 0.00 2.90 2.02 -0.68 -0.78 118.70 121.23 3dqc s GLU 32 Ca 0.03 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.39 3dqc s GLU 32 Cb -0.09 -0.10 0.00 0.00 0.10 0.00 0.00 34.13 34.05 3dqc s GLU 32 CO 0.02 0.00 0.00 0.41 0.02 0.00 0.00 175.26 175.71 3dqc n GLY 33 N 1.67 -0.56 3.27 -1.39 0.00 -1.02 -0.42 105.19 106.75 3dqc n GLY 33 Ca -0.22 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 44.87 3dqc n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dqc s GLU 34 N -1.21 0.65 0.11 1.61 -1.05 -0.31 -0.19 118.70 118.31 3dqc s GLU 34 Ca 0.00 -0.01 0.10 0.00 -0.15 0.00 0.00 54.97 54.91 3dqc s GLU 34 Cb 0.00 0.30 -0.04 0.00 -0.44 0.00 0.00 34.13 33.95 3dqc s GLU 34 CO 0.00 -0.17 -0.24 0.20 0.95 0.00 0.00 175.26 176.01 3dqc s GLY 35 N -1.00 1.59 -0.40 -3.83 0.00 0.05 -1.59 107.32 102.14 3dqc s GLY 35 Ca -0.11 -1.39 0.01 0.00 0.00 0.00 0.00 44.72 43.24 3dqc s GLY 35 CO 0.04 -1.35 0.22 -0.35 0.00 0.00 0.00 173.10 171.66 3dqc s ASP 36 N -1.92 3.43 0.60 1.64 -1.08 0.78 -0.81 116.67 119.31 3dqc s ASP 36 Ca 0.15 -2.39 0.37 0.00 -0.52 0.00 0.00 52.55 50.16 3dqc s ASP 36 Cb -0.10 -0.79 1.91 0.00 -1.46 0.00 0.00 42.92 42.48 3dqc s ASP 36 CO 0.07 -0.29 2.20 0.00 0.52 0.00 0.00 175.17 177.67 3dqc h ALA 37 N 6.94 1.11 -0.75 3.66 0.00 -1.74 -1.66 119.26 126.81 3dqc h ALA 37 Ca 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3dqc h ALA 37 Cb 0.95 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 3dqc h ALA 37 CO 0.40 0.04 0.49 1.15 0.00 0.00 0.00 179.25 181.33 3dqc h THR 38 N 0.00 1.10 -0.64 0.00 2.02 -1.86 -1.30 112.91 112.22 3dqc h THR 38 Ca -0.00 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.88 3dqc h THR 38 Cb 0.20 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 3dqc h THR 38 CO 0.00 0.16 0.00 -1.22 0.37 0.00 0.00 175.52 174.84 3dqc n TYR 39 N -4.46 0.94 -2.28 3.16 4.01 -0.83 -4.94 117.16 112.77 3dqc n TYR 39 Ca 0.10 -0.52 -0.21 0.00 -0.16 0.00 0.00 57.90 57.11 3dqc n TYR 39 Cb 0.14 -0.04 -0.02 0.00 -0.31 0.00 0.00 39.34 39.11 3dqc n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dqc n GLY 40 N 1.34 -0.13 3.43 2.72 0.00 -0.49 -4.66 105.19 107.40 3dqc n GLY 40 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 3dqc n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dqc s LYS 41 N -4.86 3.50 -0.02 1.61 2.20 -0.69 -0.10 119.74 121.38 3dqc s LYS 41 Ca 0.00 -0.61 0.05 0.00 -0.36 0.00 0.00 55.97 55.05 3dqc s LYS 41 Cb 0.00 -2.75 -0.01 0.00 -1.51 0.00 0.00 37.83 33.56 3dqc s LYS 41 CO 0.00 0.24 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.55 3dqc s LEU 42 N 0.32 1.99 -0.11 5.43 1.02 0.38 -0.16 118.68 127.55 3dqc s LEU 42 Ca -0.08 -0.31 0.00 0.00 0.02 0.00 0.00 54.13 53.77 3dqc s LEU 42 Cb -0.15 -0.87 0.02 0.00 0.02 0.00 0.00 46.19 45.21 3dqc s LEU 42 CO 0.04 0.19 -0.11 -0.89 0.02 0.00 0.00 176.35 175.60 3dqc s THR 43 N -0.26 1.25 0.01 5.49 2.01 -0.62 -1.60 115.64 121.91 3dqc s THR 43 Ca 0.04 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.58 3dqc s THR 43 Cb -0.08 -1.20 -0.01 0.00 0.01 0.00 0.00 72.50 71.22 3dqc s THR 43 CO 0.00 0.40 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.55 3dqc s LEU 44 N 1.40 2.16 -0.10 4.42 1.43 -0.19 -1.17 118.68 126.64 3dqc s LEU 44 Ca 0.01 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3dqc s LEU 44 Cb -0.13 0.06 0.01 0.00 0.03 0.00 0.00 46.19 46.16 3dqc s LEU 44 CO -0.06 -0.20 -0.15 -0.75 0.23 0.00 0.00 176.35 175.42 3dqc s LYS 45 N -0.99 2.16 -0.03 1.70 2.20 0.44 -0.67 119.74 124.54 3dqc s LYS 45 Ca -0.11 -0.55 0.03 0.00 -0.36 0.00 0.00 55.97 54.99 3dqc s LYS 45 Cb -0.07 -1.81 -0.03 0.00 -1.51 0.00 0.00 37.83 34.41 3dqc s LYS 45 CO -0.01 -0.03 -0.11 -0.06 -0.36 0.00 0.00 175.35 174.79 3dqc s PHE 46 N 0.89 2.80 -0.07 4.03 0.08 0.46 -1.68 117.98 124.49 3dqc s PHE 46 Ca -0.09 -0.09 0.02 0.00 0.12 0.00 0.00 56.93 56.89 3dqc s PHE 46 Cb -0.15 -1.62 0.02 0.00 -0.57 0.00 0.00 43.02 40.69 3dqc s PHE 46 CO 0.00 0.29 -0.10 0.42 -0.10 0.00 0.00 175.22 175.73 3dqc s ILE 47 N -0.86 1.02 -0.43 0.64 1.01 0.49 -0.84 121.20 122.22 3dqc s ILE 47 Ca 0.14 -0.40 -0.28 0.00 0.00 0.00 0.00 60.65 60.11 3dqc s ILE 47 Cb -0.11 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.41 3dqc s ILE 47 CO 0.04 0.33 1.54 0.00 0.00 0.00 0.00 174.94 176.85 3dqc n THR 49 N 7.14 0.00 -0.29 0.00 -2.24 -0.86 -3.98 114.28 114.05 3dqc n THR 49 Ca 0.18 -0.21 0.08 0.00 -2.27 0.00 0.00 64.05 61.82 3dqc n THR 49 Cb 0.48 0.49 0.21 0.00 -2.10 0.00 0.00 70.33 69.42 3dqc n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dqc n THR 50 N -0.08 1.10 0.00 4.28 -2.24 -1.26 -5.01 114.28 111.08 3dqc n THR 50 Ca 0.17 -1.05 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 3dqc n THR 50 Cb 0.36 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 3dqc n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dqc n GLY 51 N 0.81 0.54 3.73 3.38 0.00 -1.26 -5.00 105.19 107.39 3dqc n GLY 51 Ca 0.16 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 3dqc n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dqc s LYS 52 N 0.00 4.60 0.06 1.61 2.20 -1.26 -4.43 119.74 122.51 3dqc s LYS 52 Ca 0.00 1.31 -0.31 0.00 -0.36 0.00 0.00 55.97 56.61 3dqc s LYS 52 Cb 0.00 -3.39 -0.06 0.00 -1.51 0.00 0.00 37.83 32.87 3dqc s LYS 52 CO 0.00 0.18 1.32 -1.17 -0.36 0.00 0.00 175.35 175.31 3dqc s LEU 53 N 0.21 4.35 0.00 5.43 2.96 -1.26 -4.92 118.68 125.45 3dqc s LEU 53 Ca 0.45 2.13 0.30 0.00 -0.22 0.00 0.00 54.13 56.79 3dqc s LEU 53 Cb -0.22 -3.58 1.41 0.00 0.50 0.00 0.00 46.19 44.31 3dqc s LEU 53 CO 0.27 -0.60 1.99 -0.81 -1.32 0.00 0.00 176.35 175.88 3dqc n PRO 54 N 4.38 0.43 -4.38 0.98 -0.05 -1.26 -4.79 135.00 130.31 3dqc n PRO 54 Ca 0.11 -0.05 -0.20 0.00 -0.05 0.00 0.00 63.50 63.32 3dqc n PRO 54 Cb 0.44 -1.50 -0.10 0.00 -0.05 0.00 0.00 33.50 32.29 3dqc n PRO 54 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 175.50 175.59 3dqc s VAL 55 N -2.60 1.74 0.19 0.52 -7.23 -1.26 -4.58 120.40 107.18 3dqc s VAL 55 Ca 0.27 -2.19 -0.31 0.00 -1.81 0.00 0.00 61.98 57.94 3dqc s VAL 55 Cb 0.20 -2.22 -0.10 0.00 0.56 0.00 0.00 36.38 34.83 3dqc s VAL 55 CO 0.48 -0.47 1.51 -2.84 -0.31 0.00 0.00 175.10 173.47 3dqc s PRO 56 N -3.67 4.24 0.29 4.82 0.02 -1.26 -4.94 135.00 134.50 3dqc s PRO 56 Ca 0.26 2.32 -0.02 0.00 0.02 0.00 0.00 61.00 63.58 3dqc s PRO 56 Cb 0.01 -3.15 0.64 0.00 0.02 0.00 0.00 34.50 32.02 3dqc s PRO 56 CO 0.09 -0.53 1.59 -1.49 -0.33 0.00 0.00 177.00 176.33 3dqc h TRP 57 N 6.20 -0.08 -0.73 6.54 4.06 -1.95 -1.22 115.95 128.77 3dqc h TRP 57 Ca -0.44 0.07 0.18 0.00 2.06 0.00 0.00 58.89 60.76 3dqc h TRP 57 Cb 1.21 0.18 -0.04 0.00 -1.00 0.00 0.00 29.16 29.51 3dqc h TRP 57 CO 0.63 -0.37 0.50 -1.35 -3.56 0.00 0.00 178.44 174.29 3dqc h PRO 58 N 0.04 0.21 0.00 0.49 0.11 -1.90 0.33 132.00 131.28 3dqc h PRO 58 Ca 0.54 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.63 3dqc h PRO 58 Cb 1.04 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 3dqc h PRO 58 CO -0.85 0.14 -0.02 1.79 -0.21 0.00 0.00 178.00 178.85 3dqc h THR 59 N 0.22 0.06 -0.01 -1.15 1.35 -1.60 -2.79 112.91 108.98 3dqc h THR 59 Ca 0.36 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 3dqc h THR 59 Cb 1.08 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 3dqc h THR 59 CO -0.07 0.02 -0.51 0.18 -0.25 0.00 0.00 175.52 174.88 3dqc n LEU 60 N -3.13 1.26 -0.02 3.87 4.77 0.11 -4.60 117.00 119.26 3dqc n LEU 60 Ca 0.00 -0.43 -0.09 0.00 -0.03 0.00 0.00 56.01 55.47 3dqc n LEU 60 Cb 0.30 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 3dqc n LEU 60 CO 0.27 0.25 0.83 0.58 -1.33 0.00 0.00 177.39 177.99 3dqc h VAL 61 N 1.18 0.80 -0.85 4.08 2.07 -1.45 0.00 116.25 122.08 3dqc h VAL 61 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 3dqc h VAL 61 Cb 0.59 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 3dqc h VAL 61 CO 0.00 0.00 0.56 0.71 0.02 0.00 0.00 177.57 178.86 3dqc h THR 62 N -0.03 1.22 -0.03 2.57 1.35 -1.81 -2.90 112.91 113.29 3dqc h THR 62 Ca 0.08 -0.40 -0.01 0.00 -0.55 0.00 0.00 66.41 65.54 3dqc h THR 62 Cb 0.15 -0.03 -0.00 0.00 -1.73 0.00 0.00 68.15 66.54 3dqc h THR 62 CO -0.18 0.21 -0.00 0.74 -0.25 0.00 0.00 175.52 176.04 3dqc h THR 63 N 1.15 1.27 0.00 6.82 2.02 -1.66 -3.45 112.91 119.06 3dqc h THR 63 Ca 0.31 -0.82 -0.08 0.00 0.77 0.00 0.00 66.41 66.58 3dqc h THR 63 Cb -0.13 1.77 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 3dqc h THR 63 CO -0.07 0.22 0.90 0.49 0.37 0.00 0.00 175.52 177.43 3dqc n PHE 64 N -4.89 0.22 0.00 3.16 3.72 -0.08 -5.06 117.46 114.53 3dqc n PHE 64 Ca -0.08 -0.63 0.00 0.00 -0.05 0.00 0.00 57.45 56.69 3dqc n PHE 64 Cb 0.19 -0.80 0.00 0.00 -0.94 0.00 0.00 39.48 37.94 3dqc n PHE 64 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3dqc n LEU 68 N 3.74 0.00 0.20 4.37 4.77 -1.26 -5.06 117.00 123.76 3dqc n LEU 68 Ca 0.12 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.24 3dqc n LEU 68 Cb 0.12 0.00 0.56 0.00 -2.33 0.00 0.00 43.42 41.77 3dqc n LEU 68 CO 0.38 0.00 0.92 0.24 -1.33 0.00 0.00 177.39 177.60 3dqc h MET 69 N 0.00 0.00 0.00 3.23 2.86 -1.99 -1.77 114.93 117.26 3dqc h MET 69 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3dqc h MET 69 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3dqc h MET 69 CO 0.00 0.00 0.29 0.00 1.06 0.00 0.00 176.91 178.26 3dqc n PHE 71 N -2.46 0.60 -1.63 0.00 3.72 -0.66 -4.74 117.46 112.28 3dqc n PHE 71 Ca -0.01 -0.30 -0.40 0.00 -0.05 0.00 0.00 57.45 56.68 3dqc n PHE 71 Cb 0.32 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.89 3dqc n PHE 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dqc n ALA 72 N 1.34 0.41 -2.73 4.37 0.00 -0.67 -3.91 120.51 119.32 3dqc n ALA 72 Ca 0.20 0.17 -0.43 0.00 0.00 0.00 0.00 53.44 53.37 3dqc n ALA 72 Cb 0.56 -2.13 -0.06 0.00 0.00 0.00 0.00 19.45 17.82 3dqc n ALA 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3dqc s ARG 73 N -2.27 3.17 -0.15 0.00 3.52 -0.16 -4.69 118.95 118.37 3dqc s ARG 73 Ca 0.66 -0.74 -0.24 0.00 -0.13 0.00 0.00 55.73 55.29 3dqc s ARG 73 Cb -0.50 -4.08 -0.02 0.00 -1.56 0.00 0.00 34.95 28.78 3dqc s ARG 73 CO 0.54 -1.27 0.75 0.71 -0.81 0.00 0.00 175.30 175.22 3dqc s TYR 74 N 2.91 3.45 0.71 5.12 1.51 -1.26 -1.06 117.35 128.73 3dqc s TYR 74 Ca 0.19 1.18 -0.16 0.00 -1.01 0.00 0.00 57.07 57.26 3dqc s TYR 74 Cb -0.18 -2.91 0.02 0.00 -0.11 0.00 0.00 41.96 38.78 3dqc s TYR 74 CO 0.14 -0.13 1.21 -2.30 -1.11 0.00 0.00 175.55 173.36 3dqc n PRO 75 N 4.78 0.75 -0.25 -1.71 -0.02 -1.26 -4.77 135.00 132.51 3dqc n PRO 75 Ca 0.02 0.32 0.03 0.00 -2.02 0.00 0.00 63.50 61.84 3dqc n PRO 75 Cb 0.50 -2.45 0.11 0.00 -0.02 0.00 0.00 33.50 31.64 3dqc n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3dqc h ASP 76 N -0.01 -0.56 0.18 2.55 3.58 -2.01 0.22 116.42 120.37 3dqc h ASP 76 Ca -0.49 0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.17 3dqc h ASP 76 Cb 1.33 0.42 0.00 0.00 1.72 0.00 0.00 39.33 42.79 3dqc h ASP 76 CO 0.50 -0.22 0.00 0.00 -2.88 0.00 0.00 179.24 176.64 3dqc n HIS 77 N -5.44 0.57 0.39 0.28 1.44 -1.26 -2.70 115.22 108.51 3dqc n HIS 77 Ca 0.11 0.28 0.05 0.00 -2.01 0.00 0.00 57.72 56.15 3dqc n HIS 77 Cb 0.41 -0.94 0.05 0.00 0.12 0.00 0.00 29.99 29.63 3dqc n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3dqc n MET 78 N -2.07 0.56 -0.11 -1.40 2.81 0.77 -4.74 117.12 112.93 3dqc n MET 78 Ca -0.00 -1.16 0.19 0.00 -1.81 0.00 0.00 57.70 54.91 3dqc n MET 78 Cb 0.07 -1.20 0.59 0.00 -0.71 0.00 0.00 33.22 31.98 3dqc n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3dqc h LYS 79 N 2.00 0.22 0.00 0.03 1.79 -1.31 -0.51 116.57 118.80 3dqc h LYS 79 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3dqc h LYS 79 Cb 0.44 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 3dqc h LYS 79 CO 0.00 0.15 0.00 1.04 -1.08 0.00 0.00 179.45 179.56 3dqc n GLN 80 N -4.42 0.37 -0.25 3.15 6.02 -1.26 -2.73 117.38 118.25 3dqc n GLN 80 Ca 0.13 0.07 0.06 0.00 -0.01 0.00 0.00 57.00 57.26 3dqc n GLN 80 Cb 0.61 -1.50 0.18 0.00 1.02 0.00 0.00 30.24 30.55 3dqc n GLN 80 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3dqc n HIS 81 N -1.15 0.59 -3.17 1.08 8.25 -0.20 -4.67 115.22 115.95 3dqc n HIS 81 Ca 0.10 -0.62 -0.45 0.00 -0.26 0.00 0.00 57.72 56.49 3dqc n HIS 81 Cb 0.09 -0.12 -0.01 0.00 1.12 0.00 0.00 29.99 31.08 3dqc n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3dqc s ASP 82 N -1.30 6.99 0.20 0.41 -1.08 -1.10 -4.60 116.67 116.18 3dqc s ASP 82 Ca 0.28 -2.93 -0.11 0.00 -0.52 0.00 0.00 52.55 49.28 3dqc s ASP 82 Cb 0.19 -2.29 0.26 0.00 -1.46 0.00 0.00 42.92 39.62 3dqc s ASP 82 CO 0.13 -0.61 1.71 0.15 0.52 0.00 0.00 175.17 177.07 3dqc h PHE 83 N 7.48 0.20 -0.55 -5.34 3.57 -1.91 -2.78 116.94 117.61 3dqc h PHE 83 Ca 0.19 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 3dqc h PHE 83 Cb 0.95 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 3dqc h PHE 83 CO 0.99 -0.02 0.29 0.74 -2.23 0.00 0.00 178.31 178.08 3dqc h PHE 84 N 0.26 0.77 -0.11 0.41 0.04 -1.89 -1.18 116.94 115.24 3dqc h PHE 84 Ca 0.30 -0.02 -0.19 0.00 2.80 0.00 0.00 57.97 60.86 3dqc h PHE 84 Cb 0.43 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 38.33 3dqc h PHE 84 CO -0.24 0.57 -0.71 0.87 -0.60 0.00 0.00 178.31 178.20 3dqc h LYS 85 N 0.74 0.49 -0.32 1.51 1.57 -1.85 -3.23 116.57 115.48 3dqc h LYS 85 Ca 0.19 -0.38 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 3dqc h LYS 85 Cb 0.06 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3dqc h LYS 85 CO -0.03 1.01 0.06 0.66 -0.57 0.00 0.00 179.45 180.58 3dqc h SER 86 N 0.34 0.43 0.53 0.86 4.64 -0.95 -1.43 113.55 117.97 3dqc h SER 86 Ca -0.03 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3dqc h SER 86 Cb 1.29 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3dqc h SER 86 CO 0.13 0.45 0.00 0.00 -0.87 0.00 0.00 176.83 176.53 3dqc h ALA 87 N 1.62 1.00 -2.32 5.18 0.00 -1.38 -3.45 119.26 119.91 3dqc h ALA 87 Ca 0.11 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.52 3dqc h ALA 87 Cb 0.20 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.03 3dqc h ALA 87 CO -0.00 0.00 0.22 -1.64 0.00 0.00 0.00 179.25 177.83 3dqc s MET 88 N -3.59 3.61 0.00 0.00 1.00 -0.54 -0.77 119.30 119.00 3dqc s MET 88 Ca 0.00 0.44 0.26 0.00 0.00 0.00 0.00 55.69 56.40 3dqc s MET 88 Cb 0.09 -2.27 1.13 0.00 0.00 0.00 0.00 34.83 33.78 3dqc s MET 88 CO 0.39 -0.31 1.83 -0.35 0.00 0.00 0.00 175.02 176.58 3dqc n PRO 89 N -2.28 0.06 0.21 2.03 -0.04 -1.26 -4.51 135.00 129.21 3dqc n PRO 89 Ca 0.03 0.06 0.07 0.00 -0.04 0.00 0.00 63.50 63.62 3dqc n PRO 89 Cb 0.55 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.96 3dqc n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3dqc h GLU 90 N 0.00 0.00 0.00 0.54 3.07 -1.89 -3.09 114.58 113.21 3dqc h GLU 90 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3dqc h GLU 90 Cb 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 3dqc h GLU 90 CO 0.00 0.29 0.00 0.41 -1.40 0.00 0.00 179.01 178.31 3dqc n GLY 91 N -0.17 -1.75 3.17 -3.84 0.00 0.05 -4.64 105.19 98.01 3dqc n GLY 91 Ca -0.01 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 43.98 3dqc n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dqc s TYR 92 N 0.00 0.61 -0.20 1.61 -0.85 0.17 -1.12 117.35 117.58 3dqc s TYR 92 Ca 0.00 -1.04 -0.16 0.00 -0.52 0.00 0.00 57.07 55.35 3dqc s TYR 92 Cb 0.00 -0.34 -0.04 0.00 0.38 0.00 0.00 41.96 41.96 3dqc s TYR 92 CO 0.00 -0.52 0.40 0.08 -1.52 0.00 0.00 175.55 173.98 3dqc s VAL 93 N -3.98 5.20 -0.28 -3.49 1.01 0.83 -0.58 120.40 119.12 3dqc s VAL 93 Ca 0.16 0.71 -0.04 0.00 0.00 0.00 0.00 61.98 62.81 3dqc s VAL 93 Cb 0.07 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.74 3dqc s VAL 93 CO -0.03 0.26 0.02 -1.58 0.00 0.00 0.00 175.10 173.77 3dqc s GLN 94 N 1.23 2.92 0.06 2.72 0.74 -0.09 -1.54 119.66 125.69 3dqc s GLN 94 Ca 0.19 -0.95 0.03 0.00 0.05 0.00 0.00 55.36 54.68 3dqc s GLN 94 Cb -0.15 -3.21 -0.04 0.00 1.10 0.00 0.00 33.01 30.72 3dqc s GLN 94 CO 0.08 -0.45 0.01 -1.21 -0.55 0.00 0.00 175.29 173.17 3dqc s GLU 95 N 1.41 2.67 0.03 1.67 2.02 0.13 -0.78 118.70 125.84 3dqc s GLU 95 Ca 0.01 -0.74 -0.01 0.00 0.02 0.00 0.00 54.97 54.25 3dqc s GLU 95 Cb -0.17 -2.61 -0.02 0.00 0.10 0.00 0.00 34.13 31.43 3dqc s GLU 95 CO -0.01 0.57 -0.01 1.03 0.02 0.00 0.00 175.26 176.87 3dqc s ARG 96 N -2.04 0.44 -0.11 1.61 0.52 -0.45 -1.03 118.95 117.88 3dqc s ARG 96 Ca 0.24 -0.81 0.03 0.00 -0.52 0.00 0.00 55.73 54.67 3dqc s ARG 96 Cb -0.12 0.16 0.01 0.00 0.52 0.00 0.00 34.95 35.52 3dqc s ARG 96 CO 0.16 -0.08 -0.21 0.99 0.02 0.00 0.00 175.30 176.17 3dqc s THR 97 N -2.33 1.91 -0.25 0.02 2.01 -0.65 -0.70 115.64 115.65 3dqc s THR 97 Ca -0.08 -0.91 -0.02 0.00 0.31 0.00 0.00 61.69 60.99 3dqc s THR 97 Cb -0.03 -1.68 0.02 0.00 0.01 0.00 0.00 72.50 70.82 3dqc s THR 97 CO -0.04 0.52 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.73 3dqc s ILE 98 N 0.62 2.96 -0.41 1.82 1.01 0.13 -0.83 121.20 126.50 3dqc s ILE 98 Ca -0.13 -1.00 -0.18 0.00 0.00 0.00 0.00 60.65 59.34 3dqc s ILE 98 Cb -0.17 -2.50 0.01 0.00 0.01 0.00 0.00 42.46 39.82 3dqc s ILE 98 CO 0.03 0.19 0.50 -0.36 0.00 0.00 0.00 174.94 175.30 3dqc s PHE 99 N 1.34 3.15 -0.33 3.97 0.08 0.38 -1.42 117.98 125.14 3dqc s PHE 99 Ca 0.00 -0.17 -0.28 0.00 0.12 0.00 0.00 56.93 56.60 3dqc s PHE 99 Cb -0.17 -3.00 0.02 0.00 -0.57 0.00 0.00 43.02 39.30 3dqc s PHE 99 CO -0.04 -0.70 1.05 -0.06 -0.10 0.00 0.00 175.22 175.38 3dqc s PHE 100 N 2.35 3.12 0.08 0.36 0.40 -0.20 -1.39 117.98 122.70 3dqc s PHE 100 Ca 0.16 1.11 -0.36 0.00 -0.60 0.00 0.00 56.93 57.24 3dqc s PHE 100 Cb -0.16 -3.71 -0.15 0.00 0.51 0.00 0.00 43.02 39.51 3dqc s PHE 100 CO 0.15 -0.79 1.50 1.17 0.70 0.00 0.00 175.22 177.94 3dqc n LYS 101 N 6.89 1.62 -2.17 0.44 3.00 0.16 -0.73 118.16 127.37 3dqc n LYS 101 Ca 0.11 0.59 -0.20 0.00 -0.00 0.00 0.00 58.31 58.81 3dqc n LYS 101 Cb 0.47 -2.29 -0.03 0.00 0.00 0.00 0.00 35.03 33.18 3dqc n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3dqc n ASP 102 N 3.34 -5.48 -0.11 3.14 8.00 -1.26 -4.81 116.55 119.38 3dqc n ASP 102 Ca 0.19 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.83 3dqc n ASP 102 Cb 0.23 -4.65 0.00 0.00 -0.02 0.00 0.00 41.12 36.68 3dqc n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3dqc n ASP 103 N -1.77 0.00 -2.17 -2.24 -0.08 0.09 -4.96 116.55 105.43 3dqc n ASP 103 Ca -0.22 -0.11 0.00 0.00 -1.51 0.00 0.00 54.79 52.95 3dqc n ASP 103 Cb 0.67 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.13 3dqc n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3dqc n GLY 104 N 0.00 -1.44 3.10 0.27 0.00 -1.18 -4.56 105.19 101.37 3dqc n GLY 104 Ca 0.00 -1.61 -0.17 0.00 0.00 0.00 0.00 46.02 44.24 3dqc n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dqc s ASN 105 N -1.13 1.26 -0.11 1.61 2.20 -0.72 -1.04 114.94 117.02 3dqc s ASN 105 Ca 0.00 -0.46 -0.09 0.00 -0.94 0.00 0.00 52.86 51.38 3dqc s ASN 105 Cb 0.00 -0.05 -0.04 0.00 -2.00 0.00 0.00 41.25 39.16 3dqc s ASN 105 CO 0.00 -0.05 0.19 -0.31 -2.94 0.00 0.00 177.10 173.98 3dqc s TYR 106 N -0.97 3.61 -0.12 1.54 2.02 -0.51 -1.56 117.35 121.36 3dqc s TYR 106 Ca -0.02 0.60 0.03 0.00 -0.37 0.00 0.00 57.07 57.30 3dqc s TYR 106 Cb -0.08 -2.02 0.01 0.00 -0.40 0.00 0.00 41.96 39.47 3dqc s TYR 106 CO 0.01 0.69 -0.22 0.15 -1.57 0.00 0.00 175.55 174.61 3dqc s LYS 107 N -0.94 2.91 0.01 -0.62 1.02 0.12 -0.70 119.74 121.55 3dqc s LYS 107 Ca 0.16 -0.82 0.07 0.00 0.02 0.00 0.00 55.97 55.40 3dqc s LYS 107 Cb -0.13 -2.31 -0.02 0.00 -0.52 0.00 0.00 37.83 34.86 3dqc s LYS 107 CO 0.05 0.04 -0.21 0.95 -0.92 0.00 0.00 175.35 175.26 3dqc s THR 108 N 0.68 1.69 -0.07 2.17 -4.23 0.12 -0.44 115.64 115.56 3dqc s THR 108 Ca -0.11 -1.04 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 3dqc s THR 108 Cb -0.16 -1.43 0.02 0.00 1.34 0.00 0.00 72.50 72.27 3dqc s THR 108 CO 0.02 0.37 -0.05 -0.60 -0.54 0.00 0.00 174.62 173.81 3dqc s ARG 109 N -0.79 1.06 0.03 3.99 3.52 -0.41 -1.34 118.95 125.01 3dqc s ARG 109 Ca 0.08 -0.14 0.04 0.00 -0.13 0.00 0.00 55.73 55.58 3dqc s ARG 109 Cb -0.08 -1.11 -0.02 0.00 -1.56 0.00 0.00 34.95 32.18 3dqc s ARG 109 CO 0.00 -0.15 -0.11 0.00 -0.81 0.00 0.00 175.30 174.24 3dqc s ALA 110 N 1.25 0.87 -0.14 6.12 0.00 0.04 -0.76 121.76 129.15 3dqc s ALA 110 Ca -0.05 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.24 3dqc s ALA 110 Cb -0.14 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.87 3dqc s ALA 110 CO -0.02 0.14 -0.19 -1.21 0.00 0.00 0.00 175.76 174.48 3dqc s GLU 111 N -1.04 3.13 -0.17 0.00 2.02 -0.27 -0.92 118.70 121.44 3dqc s GLU 111 Ca -0.01 -0.81 0.01 0.00 0.02 0.00 0.00 54.97 54.18 3dqc s GLU 111 Cb -0.07 -2.50 0.01 0.00 0.10 0.00 0.00 34.13 31.67 3dqc s GLU 111 CO 0.01 0.05 -0.18 0.08 0.02 0.00 0.00 175.26 175.23 3dqc s VAL 112 N 0.70 2.30 -0.07 2.63 1.01 0.26 -1.40 120.40 125.83 3dqc s VAL 112 Ca -0.09 -0.87 -0.31 0.00 0.00 0.00 0.00 61.98 60.72 3dqc s VAL 112 Cb -0.16 -1.97 0.12 0.00 0.00 0.00 0.00 36.38 34.37 3dqc s VAL 112 CO 0.01 0.52 0.99 -1.59 0.00 0.00 0.00 175.10 175.04 3dqc s LYS 113 N 1.15 0.65 0.12 2.72 -2.85 -0.84 0.45 119.74 121.14 3dqc s LYS 113 Ca 0.01 -0.21 -0.30 0.00 -1.00 0.00 0.00 55.97 54.47 3dqc s LYS 113 Cb -0.14 0.30 -0.06 0.00 -2.06 0.00 0.00 37.83 35.86 3dqc s LYS 113 CO -0.08 -0.28 1.10 -0.06 0.10 0.00 0.00 175.35 176.14 3dqc s PHE 114 N -2.73 3.57 -0.35 1.78 0.08 -1.17 0.89 117.98 120.06 3dqc s PHE 114 Ca 0.06 1.54 0.02 0.00 0.12 0.00 0.00 56.93 58.67 3dqc s PHE 114 Cb -0.01 -3.28 0.10 0.00 -0.57 0.00 0.00 43.02 39.25 3dqc s PHE 114 CO -0.07 -0.67 0.07 -1.21 -0.10 0.00 0.00 175.22 173.24 3dqc s GLU 115 N 0.20 1.73 7.11 0.44 0.41 0.73 -4.91 118.70 124.40 3dqc s GLU 115 Ca 0.52 -1.78 0.00 0.00 -0.41 0.00 0.00 54.97 53.30 3dqc s GLU 115 Cb -0.28 -3.26 0.00 0.00 -1.78 0.00 0.00 34.13 28.81 3dqc s GLU 115 CO 0.32 -0.91 0.00 0.41 -0.49 0.00 0.00 175.26 174.59 3dqc n GLY 116 N 4.37 3.68 0.60 -1.39 0.00 -1.26 -2.05 105.19 109.14 3dqc n GLY 116 Ca -0.00 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.14 3dqc n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dqc n ASP 117 N 5.57 1.90 -4.72 1.61 8.00 -1.26 -4.86 116.55 122.78 3dqc n ASP 117 Ca 0.00 -1.59 -0.39 0.00 0.71 0.00 0.00 54.79 53.52 3dqc n ASP 117 Cb 0.00 0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.08 3dqc n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3dqc s THR 118 N -2.06 5.11 -0.23 -3.53 2.01 -0.87 -4.35 115.64 111.71 3dqc s THR 118 Ca 0.33 1.17 -0.24 0.00 0.31 0.00 0.00 61.69 63.26 3dqc s THR 118 Cb 0.20 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 3dqc s THR 118 CO 0.35 0.31 0.81 -0.22 -0.69 0.00 0.00 174.62 175.17 3dqc s LEU 119 N 0.60 4.09 -0.08 4.42 1.98 -0.35 -0.19 118.68 129.15 3dqc s LEU 119 Ca 0.31 1.02 0.02 0.00 -2.89 0.00 0.00 54.13 52.59 3dqc s LEU 119 Cb -0.16 -3.16 -0.02 0.00 0.66 0.00 0.00 46.19 43.51 3dqc s LEU 119 CO 0.14 -0.48 -0.15 -0.69 -1.89 0.00 0.00 176.35 173.28 3dqc s VAL 120 N 2.69 2.96 -0.36 1.68 1.01 0.26 -1.72 120.40 126.92 3dqc s VAL 120 Ca 0.34 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.62 3dqc s VAL 120 Cb -0.15 -2.19 0.11 0.00 0.00 0.00 0.00 36.38 34.14 3dqc s VAL 120 CO 0.08 0.56 0.10 0.21 0.00 0.00 0.00 175.10 176.05 3dqc s ASN 121 N -0.26 4.46 -0.29 3.32 2.47 -0.07 -1.98 114.94 122.60 3dqc s ASN 121 Ca 0.01 -2.16 -0.14 0.00 0.42 0.00 0.00 52.86 51.00 3dqc s ASN 121 Cb -0.13 -1.40 -0.04 0.00 -1.45 0.00 0.00 41.25 38.23 3dqc s ASN 121 CO 0.03 -0.36 0.31 -0.13 -3.72 0.00 0.00 177.10 173.22 3dqc s ARG 122 N 0.90 3.91 -0.05 0.43 0.52 -0.49 -1.09 118.95 123.08 3dqc s ARG 122 Ca 0.12 -0.16 0.06 0.00 -0.52 0.00 0.00 55.73 55.22 3dqc s ARG 122 Cb -0.20 -3.68 -0.01 0.00 0.52 0.00 0.00 34.95 31.58 3dqc s ARG 122 CO -0.11 -0.29 -0.23 0.42 0.02 0.00 0.00 175.30 175.12 3dqc s ILE 123 N 1.95 1.89 -0.10 1.52 1.01 0.13 -1.12 121.20 126.49 3dqc s ILE 123 Ca 0.12 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.80 3dqc s ILE 123 Cb -0.16 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 3dqc s ILE 123 CO 0.11 0.53 -0.13 -1.61 0.00 0.00 0.00 174.94 173.84 3dqc s GLU 124 N -0.19 3.01 -0.09 2.79 2.02 0.06 -1.69 118.70 124.62 3dqc s GLU 124 Ca -0.02 -0.67 0.02 0.00 0.02 0.00 0.00 54.97 54.33 3dqc s GLU 124 Cb -0.12 -2.54 0.01 0.00 0.10 0.00 0.00 34.13 31.57 3dqc s GLU 124 CO 0.03 0.41 -0.14 -1.17 0.02 0.00 0.00 175.26 174.41 3dqc s LEU 125 N -0.16 1.67 -0.12 1.80 0.20 -0.42 -1.28 118.68 120.37 3dqc s LEU 125 Ca -0.00 -0.36 0.02 0.00 0.69 0.00 0.00 54.13 54.48 3dqc s LEU 125 Cb -0.13 -0.96 -0.00 0.00 -0.43 0.00 0.00 46.19 44.66 3dqc s LEU 125 CO 0.03 0.03 -0.20 -0.54 -0.29 0.00 0.00 176.35 175.38 3dqc s LYS 126 N 0.82 3.17 -0.12 1.98 3.01 0.42 -1.97 119.74 127.04 3dqc s LYS 126 Ca -0.11 -0.80 -0.00 0.00 -1.01 0.00 0.00 55.97 54.04 3dqc s LYS 126 Cb -0.15 -2.44 -0.02 0.00 -1.01 0.00 0.00 37.83 34.20 3dqc s LYS 126 CO 0.02 0.16 -0.12 0.20 0.51 0.00 0.00 175.35 176.12 3dqc s GLY 127 N 0.42 1.57 0.10 -3.33 0.00 0.46 0.16 107.32 106.69 3dqc s GLY 127 Ca -0.14 -0.89 0.03 0.00 0.00 0.00 0.00 44.72 43.72 3dqc s GLY 127 CO 0.06 -0.24 -0.08 -0.26 0.00 0.00 0.00 173.10 172.59 3dqc s ILE 128 N 0.23 0.81 -1.24 0.90 -4.36 -0.60 -0.71 121.20 116.22 3dqc s ILE 128 Ca -0.08 -1.78 0.00 0.00 -0.26 0.00 0.00 60.65 58.53 3dqc s ILE 128 Cb -0.15 -1.50 0.00 0.00 1.25 0.00 0.00 42.46 42.06 3dqc s ILE 128 CO 0.05 -0.72 0.00 0.47 0.24 0.00 0.00 174.94 174.98 3dqc n ASP 129 N 0.26 -4.30 -4.85 4.36 8.00 -1.26 -1.76 116.55 117.00 3dqc n ASP 129 Ca -0.14 0.15 -0.32 0.00 0.71 0.00 0.00 54.79 55.19 3dqc n ASP 129 Cb 0.59 -3.21 -0.04 0.00 -0.02 0.00 0.00 41.12 38.44 3dqc n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dqc s PHE 130 N -2.56 3.43 -0.17 1.24 0.08 -1.26 -3.08 117.98 115.65 3dqc s PHE 130 Ca 0.00 1.31 -0.20 0.00 0.12 0.00 0.00 56.93 58.16 3dqc s PHE 130 Cb 0.00 -2.64 -0.03 0.00 -0.57 0.00 0.00 43.02 39.78 3dqc s PHE 130 CO 0.00 -0.18 0.58 0.15 -0.10 0.00 0.00 175.22 175.67 3dqc s LYS 131 N -3.73 4.25 0.50 0.44 1.02 -1.26 -4.90 119.74 116.07 3dqc s LYS 131 Ca 0.56 0.56 0.27 0.00 0.02 0.00 0.00 55.97 57.38 3dqc s LYS 131 Cb -0.10 -3.53 1.36 0.00 -0.52 0.00 0.00 37.83 35.04 3dqc s LYS 131 CO 0.27 -0.11 1.89 0.93 -0.92 0.00 0.00 175.35 177.41 3dqc h GLU 132 N 7.26 0.11 -0.17 1.68 3.07 -1.96 -1.63 114.58 122.94 3dqc h GLU 132 Ca -0.35 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.51 3dqc h GLU 132 Cb 1.16 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 3dqc h GLU 132 CO 0.76 0.08 0.00 -0.40 -1.40 0.00 0.00 179.01 178.04 3dqc n ASP 133 N -4.35 2.90 -2.19 1.42 5.75 -1.26 -3.64 116.55 115.18 3dqc n ASP 133 Ca 0.18 -2.53 -0.03 0.00 -0.01 0.00 0.00 54.79 52.40 3dqc n ASP 133 Cb 0.85 -0.32 0.02 0.00 -1.03 0.00 0.00 41.12 40.64 3dqc n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dqc n GLY 134 N -0.42 -1.24 0.37 6.12 0.00 -0.61 -4.65 105.19 104.76 3dqc n GLY 134 Ca 0.13 -1.66 0.15 0.00 0.00 0.00 0.00 46.02 44.64 3dqc n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3dqc h ASN 135 N -0.21 0.31 0.00 1.61 2.35 -1.90 0.71 115.58 118.44 3dqc h ASN 135 Ca -0.04 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3dqc h ASN 135 Cb 0.10 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.42 3dqc h ASN 135 CO 0.03 0.17 -0.08 0.40 -1.65 0.00 0.00 177.43 176.30 3dqc h ILE 136 N 0.33 0.00 0.00 2.81 5.03 -1.92 -1.26 117.51 122.50 3dqc h ILE 136 Ca 0.32 -0.29 -0.03 0.00 -0.12 0.00 0.00 64.86 64.74 3dqc h ILE 136 Cb 0.78 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.56 3dqc h ILE 136 CO -0.08 0.00 -0.13 -0.07 -0.68 0.00 0.00 178.15 177.18 3dqc h LEU 137 N -0.29 0.00 -1.61 1.44 3.38 -1.74 -1.20 115.31 115.30 3dqc h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dqc h LEU 137 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3dqc h LEU 137 CO 0.00 0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.27 3dqc n GLY 138 N -0.55 0.97 3.84 0.83 0.00 0.24 -4.87 105.19 105.64 3dqc n GLY 138 Ca -0.01 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 3dqc n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dqc n HIS 139 N 0.78 -1.76 0.21 1.61 8.25 -0.45 -4.90 115.22 118.96 3dqc n HIS 139 Ca 0.16 0.71 0.12 0.00 -0.26 0.00 0.00 57.72 58.45 3dqc n HIS 139 Cb 0.41 -3.85 0.24 0.00 1.12 0.00 0.00 29.99 27.91 3dqc n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3dqc n LYS 140 N -4.32 2.53 -3.50 -0.41 5.02 -0.48 -4.98 118.16 112.01 3dqc n LYS 140 Ca -0.27 -2.33 -0.38 0.00 -2.02 0.00 0.00 58.31 53.32 3dqc n LYS 140 Cb 0.67 -1.52 -0.06 0.00 -0.02 0.00 0.00 35.03 34.09 3dqc n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dqc s LEU 141 N -1.39 4.42 0.66 -0.35 1.43 -1.25 -1.09 118.68 121.12 3dqc s LEU 141 Ca 0.41 0.87 -0.13 0.00 -1.03 0.00 0.00 54.13 54.25 3dqc s LEU 141 Cb 0.23 -2.55 -0.00 0.00 0.03 0.00 0.00 46.19 43.90 3dqc s LEU 141 CO 0.32 0.27 1.07 -1.61 0.23 0.00 0.00 176.35 176.62 3dqc s GLU 142 N -0.70 2.97 -1.25 1.70 2.02 0.96 -4.88 118.70 119.52 3dqc s GLU 142 Ca 0.23 1.12 -0.12 0.00 0.02 0.00 0.00 54.97 56.22 3dqc s GLU 142 Cb -0.16 -1.99 0.16 0.00 0.10 0.00 0.00 34.13 32.24 3dqc s GLU 142 CO 0.11 -1.08 1.64 0.98 0.02 0.00 0.00 175.26 176.93 3dqc n TYR 143 N -2.70 4.15 -3.54 1.61 9.36 -1.26 -4.81 117.16 119.97 3dqc n TYR 143 Ca 0.08 -3.11 -0.04 0.00 3.32 0.00 0.00 57.90 58.15 3dqc n TYR 143 Cb 0.53 -2.13 0.02 0.00 -0.63 0.00 0.00 39.34 37.13 3dqc n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3dqc n ASN 144 N 5.12 -1.28 -3.64 2.98 0.23 -1.26 -4.90 115.26 112.50 3dqc n ASN 144 Ca 0.39 -1.83 -0.05 0.00 -0.53 0.00 0.00 54.58 52.55 3dqc n ASN 144 Cb 0.40 2.12 -0.07 0.00 -2.08 0.00 0.00 39.78 40.15 3dqc n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3dqc s TYR 145 N -4.56 -0.70 0.22 -2.53 5.04 -1.26 -4.89 117.35 108.66 3dqc s TYR 145 Ca 0.11 1.46 -0.07 0.00 -2.44 0.00 0.00 57.07 56.13 3dqc s TYR 145 Cb -0.03 0.42 -0.06 0.00 0.35 0.00 0.00 41.96 42.65 3dqc s TYR 145 CO 0.06 -0.35 0.49 -0.80 -1.34 0.00 0.00 175.55 173.62 3dqc s ASN 146 N 1.18 6.54 0.61 4.32 0.01 -1.26 -4.72 114.94 121.61 3dqc s ASN 146 Ca -0.07 0.76 -0.15 0.00 -0.71 0.00 0.00 52.86 52.69 3dqc s ASN 146 Cb -0.04 -2.16 -0.03 0.00 0.41 0.00 0.00 41.25 39.43 3dqc s ASN 146 CO -0.14 -0.06 1.06 -0.44 -1.51 0.00 0.00 177.10 176.01 3dqc s SER 147 N -2.59 5.70 -0.28 -1.22 0.01 -1.26 -4.69 113.70 109.36 3dqc s SER 147 Ca 0.44 1.82 -0.17 0.00 1.31 0.00 0.00 55.95 59.35 3dqc s SER 147 Cb -0.11 -2.53 0.09 0.00 0.21 0.00 0.00 66.02 63.68 3dqc s SER 147 CO 0.24 -1.23 0.75 -1.00 0.41 0.00 0.00 173.24 172.42 3dqc s HIS 148 N -2.49 -0.95 0.23 2.43 3.76 -0.96 -5.03 115.29 112.28 3dqc s HIS 148 Ca 0.63 1.93 -0.20 0.00 -0.15 0.00 0.00 55.06 57.27 3dqc s HIS 148 Cb -0.16 0.55 -0.08 0.00 1.11 0.00 0.00 32.58 34.00 3dqc s HIS 148 CO 0.39 -0.47 0.74 -0.80 -0.85 0.00 0.00 174.74 173.75 3dqc s ASN 149 N 1.45 7.09 -0.17 1.40 0.02 -1.26 -1.23 114.94 122.24 3dqc s ASN 149 Ca -0.09 1.45 0.01 0.00 -1.02 0.00 0.00 52.86 53.22 3dqc s ASN 149 Cb -0.05 -2.43 0.02 0.00 0.02 0.00 0.00 41.25 38.81 3dqc s ASN 149 CO -0.17 0.03 -0.20 -0.69 0.02 0.00 0.00 177.10 176.10 3dqc s VAL 150 N -1.51 2.10 -0.30 1.60 1.01 0.46 -4.86 120.40 118.90 3dqc s VAL 150 Ca 0.43 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 61.37 3dqc s VAL 150 Cb -0.17 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 3dqc s VAL 150 CO 0.21 0.54 0.17 -0.31 0.00 0.00 0.00 175.10 175.71 3dqc s TYR 151 N 1.21 3.19 -0.13 5.22 2.02 -1.26 -0.50 117.35 127.11 3dqc s TYR 151 Ca 0.03 -0.26 -0.14 0.00 -0.37 0.00 0.00 57.07 56.32 3dqc s TYR 151 Cb -0.13 -2.37 -0.05 0.00 -0.40 0.00 0.00 41.96 39.01 3dqc s TYR 151 CO -0.11 -0.33 0.33 0.42 -1.57 0.00 0.00 175.55 174.29 3dqc s ILE 152 N 1.68 5.26 0.08 2.71 1.01 0.31 -3.66 121.20 128.59 3dqc s ILE 152 Ca 0.06 0.64 0.05 0.00 0.00 0.00 0.00 60.65 61.40 3dqc s ILE 152 Cb -0.17 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 3dqc s ILE 152 CO 0.08 0.41 -0.14 0.00 0.00 0.00 0.00 174.94 175.29 3dqc s MET 153 N 0.23 0.86 0.49 2.79 0.23 0.63 -2.42 119.30 122.11 3dqc s MET 153 Ca 0.19 -1.02 -0.21 0.00 -1.03 0.00 0.00 55.69 53.63 3dqc s MET 153 Cb -0.14 -0.84 -0.07 0.00 -1.53 0.00 0.00 34.83 32.25 3dqc s MET 153 CO 0.06 0.18 1.10 0.00 -2.03 0.00 0.00 175.02 174.33 3dqc s ALA 154 N -1.47 2.84 -0.61 3.16 0.00 -1.26 -0.30 121.76 124.12 3dqc s ALA 154 Ca 0.00 0.77 0.04 0.00 0.00 0.00 0.00 51.96 52.77 3dqc s ALA 154 Cb -0.09 -3.32 0.16 0.00 0.00 0.00 0.00 23.12 19.87 3dqc s ALA 154 CO 0.02 -0.55 0.42 0.34 0.00 0.00 0.00 175.76 176.00 3dqc s ASP 155 N -1.74 4.10 0.21 0.00 -1.08 0.33 -4.65 116.67 113.84 3dqc s ASP 155 Ca 0.68 -3.53 -0.10 0.00 -0.52 0.00 0.00 52.55 49.07 3dqc s ASP 155 Cb -0.22 -1.38 0.16 0.00 -1.46 0.00 0.00 42.92 40.02 3dqc s ASP 155 CO 0.26 -0.13 1.87 0.11 0.52 0.00 0.00 175.17 177.81 3dqc h LYS 156 N 5.66 0.94 -0.13 4.34 6.56 -1.95 -0.96 116.57 131.04 3dqc h LYS 156 Ca 0.13 -0.06 0.04 0.00 -1.06 0.00 0.00 60.65 59.70 3dqc h LYS 156 Cb 0.81 -0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 32.25 3dqc h LYS 156 CO 0.64 0.62 0.13 1.96 -2.06 0.00 0.00 179.45 180.74 3dqc h GLN 157 N 0.97 0.00 -0.42 3.15 4.20 -1.94 -1.12 115.11 119.96 3dqc h GLN 157 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 3dqc h GLN 157 Cb -0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.70 3dqc h GLN 157 CO -0.07 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.72 3dqc n LYS 158 N -3.91 2.89 -2.40 1.46 5.02 -0.78 -4.99 118.16 115.46 3dqc n LYS 158 Ca 0.00 -2.24 -0.19 0.00 -2.02 0.00 0.00 58.31 53.86 3dqc n LYS 158 Cb 0.24 -1.38 -0.01 0.00 -0.02 0.00 0.00 35.03 33.86 3dqc n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3dqc n ASN 159 N 0.66 -5.55 0.00 4.39 5.15 -0.42 -4.82 115.26 114.67 3dqc n ASN 159 Ca 0.15 0.03 0.00 0.00 -0.60 0.00 0.00 54.58 54.16 3dqc n ASN 159 Cb 0.51 -4.64 0.00 0.00 -0.53 0.00 0.00 39.78 35.12 3dqc n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dqc n GLY 160 N -0.97 4.48 3.24 8.20 0.00 -0.45 -4.39 105.19 115.30 3dqc n GLY 160 Ca -0.23 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.65 3dqc n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dqc s ILE 161 N -0.74 0.92 -0.05 -0.61 -4.36 -0.60 -0.51 121.20 115.24 3dqc s ILE 161 Ca 0.00 -2.01 0.05 0.00 -0.26 0.00 0.00 60.65 58.43 3dqc s ILE 161 Cb 0.00 -1.96 -0.01 0.00 1.25 0.00 0.00 42.46 41.75 3dqc s ILE 161 CO 0.00 -0.64 -0.20 -0.54 0.24 0.00 0.00 174.94 173.80 3dqc s LYS 162 N -3.83 2.05 -0.05 0.37 1.02 0.59 -0.95 119.74 118.95 3dqc s LYS 162 Ca 0.19 -0.73 0.03 0.00 0.02 0.00 0.00 55.97 55.48 3dqc s LYS 162 Cb 0.04 -1.78 0.01 0.00 -0.52 0.00 0.00 37.83 35.58 3dqc s LYS 162 CO 0.01 0.31 -0.12 0.08 -0.92 0.00 0.00 175.35 174.72 3dqc s VAL 163 N -0.08 1.06 -0.04 3.17 1.01 -0.57 -0.27 120.40 124.69 3dqc s VAL 163 Ca -0.03 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.53 3dqc s VAL 163 Cb -0.12 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 3dqc s VAL 163 CO 0.02 0.33 -0.17 0.21 0.00 0.00 0.00 175.10 175.50 3dqc s ASN 164 N 0.49 2.10 -0.05 3.32 3.04 -1.24 -0.36 114.94 122.23 3dqc s ASN 164 Ca -0.10 -0.34 -0.31 0.00 0.04 0.00 0.00 52.86 52.15 3dqc s ASN 164 Cb -0.14 -0.51 0.11 0.00 -1.54 0.00 0.00 41.25 39.18 3dqc s ASN 164 CO 0.03 0.16 1.01 0.72 -3.04 0.00 0.00 177.10 175.98 3dqc s PHE 165 N -0.05 -0.25 -0.06 0.43 -0.71 -0.72 -4.01 117.98 112.61 3dqc s PHE 165 Ca -0.01 0.13 0.03 0.00 -1.04 0.00 0.00 56.93 56.04 3dqc s PHE 165 Cb -0.10 0.54 -0.02 0.00 -1.21 0.00 0.00 43.02 42.22 3dqc s PHE 165 CO 0.01 -0.44 -0.15 0.15 -1.34 0.00 0.00 175.22 173.45 3dqc s LYS 166 N -2.88 2.63 -0.01 1.99 1.02 -1.26 -0.12 119.74 121.10 3dqc s LYS 166 Ca 0.07 -0.72 0.02 0.00 0.02 0.00 0.00 55.97 55.37 3dqc s LYS 166 Cb -0.01 -2.39 -0.03 0.00 -0.52 0.00 0.00 37.83 34.88 3dqc s LYS 166 CO -0.07 0.54 -0.05 0.42 -0.92 0.00 0.00 175.35 175.27 3dqc s ILE 167 N -0.51 3.76 -0.22 2.17 -1.09 -0.16 -4.98 121.20 120.17 3dqc s ILE 167 Ca 0.07 -0.69 0.01 0.00 -2.23 0.00 0.00 60.65 57.81 3dqc s ILE 167 Cb -0.12 -2.62 0.04 0.00 -1.58 0.00 0.00 42.46 38.18 3dqc s ILE 167 CO 0.01 0.43 -0.14 -0.13 -1.23 0.00 0.00 174.94 173.88 3dqc s ARG 168 N -1.34 2.68 -0.16 2.79 0.52 -1.26 -0.72 118.95 121.46 3dqc s ARG 168 Ca 0.17 -1.05 -0.19 0.00 -0.52 0.00 0.00 55.73 54.14 3dqc s ARG 168 Cb -0.11 -2.76 -0.04 0.00 0.52 0.00 0.00 34.95 32.57 3dqc s ARG 168 CO 0.07 -0.38 0.51 -1.01 0.02 0.00 0.00 175.30 174.51 3dqc s HIS 169 N 1.22 3.44 0.04 -0.53 3.76 -0.33 -4.67 115.29 118.23 3dqc s HIS 169 Ca -0.01 0.85 -0.30 0.00 -0.15 0.00 0.00 55.06 55.44 3dqc s HIS 169 Cb -0.16 -2.63 -0.09 0.00 1.11 0.00 0.00 32.58 30.81 3dqc s HIS 169 CO -0.09 0.02 1.97 0.09 -0.85 0.00 0.00 174.74 175.89 3dqc n ASN 170 N 4.26 4.16 -4.84 1.40 3.02 -1.26 -0.28 115.26 121.70 3dqc n ASN 170 Ca -0.06 0.91 -0.32 0.00 -0.03 0.00 0.00 54.58 55.08 3dqc n ASN 170 Cb 0.51 -1.53 -0.05 0.00 -0.61 0.00 0.00 39.78 38.10 3dqc n ASN 170 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3dqc s ILE 171 N 4.34 4.58 0.47 2.41 1.01 0.51 -0.03 121.20 134.50 3dqc s ILE 171 Ca 0.89 1.11 0.12 0.00 0.00 0.00 0.00 60.65 62.77 3dqc s ILE 171 Cb -0.44 -3.65 0.28 0.00 0.01 0.00 0.00 42.46 38.66 3dqc s ILE 171 CO 0.42 -0.38 2.09 1.05 0.00 0.00 0.00 174.94 178.12 3dqc h GLU 172 N 1.72 0.26 0.00 2.79 4.11 -1.40 -1.23 114.58 120.83 3dqc h GLU 172 Ca -0.48 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.94 3dqc h GLU 172 Cb 1.18 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3dqc h GLU 172 CO 0.63 0.17 0.00 -0.40 0.07 0.00 0.00 179.01 179.48 3dqc n ASP 173 N -4.50 0.00 0.00 3.06 5.68 -1.26 -4.83 116.55 114.70 3dqc n ASP 173 Ca 0.01 -0.58 0.00 0.00 -0.50 0.00 0.00 54.79 53.72 3dqc n ASP 173 Cb 0.12 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 3dqc n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dqc n GLY 174 N 0.05 0.91 1.83 6.12 0.00 -0.47 -5.08 105.19 108.55 3dqc n GLY 174 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 3dqc n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dqc n SER 175 N 0.00 0.37 -4.26 1.61 2.88 -1.24 -4.81 113.62 108.17 3dqc n SER 175 Ca 0.00 -1.39 -0.27 0.00 -1.33 0.00 0.00 58.87 55.87 3dqc n SER 175 Cb 0.00 -0.39 -0.15 0.00 -0.75 0.00 0.00 64.21 62.93 3dqc n SER 175 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3dqc s VAL 176 N -1.81 1.76 -0.39 2.46 -7.23 -1.26 -0.36 120.40 113.57 3dqc s VAL 176 Ca 0.33 -1.11 -0.15 0.00 -1.81 0.00 0.00 61.98 59.24 3dqc s VAL 176 Cb -0.01 -1.50 0.01 0.00 0.56 0.00 0.00 36.38 35.44 3dqc s VAL 176 CO 0.23 0.35 0.30 -1.58 -0.31 0.00 0.00 175.10 174.09 3dqc s GLN 177 N -0.90 3.13 0.23 4.82 2.00 0.61 -4.86 119.66 124.69 3dqc s GLN 177 Ca 0.09 -0.89 -0.30 0.00 -2.00 0.00 0.00 55.36 52.26 3dqc s GLN 177 Cb -0.09 -3.93 -0.09 0.00 0.80 0.00 0.00 33.01 29.71 3dqc s GLN 177 CO 0.01 -0.67 1.10 -0.51 -0.50 0.00 0.00 175.29 174.71 3dqc s LEU 178 N 1.74 4.52 -0.30 3.68 1.43 -1.26 -1.19 118.68 127.31 3dqc s LEU 178 Ca 0.06 2.17 -0.02 0.00 -1.03 0.00 0.00 54.13 55.32 3dqc s LEU 178 Cb -0.18 -3.61 0.10 0.00 0.03 0.00 0.00 46.19 42.52 3dqc s LEU 178 CO 0.10 -0.17 0.10 0.00 0.23 0.00 0.00 176.35 176.61 3dqc s ALA 179 N -0.69 1.26 -0.46 4.21 0.00 0.10 -0.67 121.76 125.52 3dqc s ALA 179 Ca 0.47 -1.45 -0.27 0.00 0.00 0.00 0.00 51.96 50.71 3dqc s ALA 179 Cb -0.31 -1.53 0.03 0.00 0.00 0.00 0.00 23.12 21.31 3dqc s ALA 179 CO 0.38 -1.62 1.01 -0.51 0.00 0.00 0.00 175.76 175.02 3dqc s ASP 180 N 1.76 6.58 -0.18 0.00 1.11 -0.49 -0.98 116.67 124.47 3dqc s ASP 180 Ca 0.09 0.31 -0.10 0.00 0.18 0.00 0.00 52.55 53.03 3dqc s ASP 180 Cb -0.17 -2.49 -0.05 0.00 1.07 0.00 0.00 42.92 41.28 3dqc s ASP 180 CO -0.27 -1.11 0.17 -1.00 1.18 0.00 0.00 175.17 174.14 3dqc s HIS 181 N 4.00 3.45 -0.10 4.23 3.76 0.83 -0.47 115.29 130.99 3dqc s HIS 181 Ca 0.42 0.43 0.04 0.00 -0.15 0.00 0.00 55.06 55.79 3dqc s HIS 181 Cb -0.09 -2.17 0.00 0.00 1.11 0.00 0.00 32.58 31.43 3dqc s HIS 181 CO 0.28 0.35 -0.23 0.71 -0.85 0.00 0.00 174.74 174.99 3dqc s TYR 182 N 0.16 2.54 0.03 1.40 1.51 -0.01 -1.76 117.35 121.23 3dqc s TYR 182 Ca 0.11 -1.08 0.01 0.00 -1.01 0.00 0.00 57.07 55.11 3dqc s TYR 182 Cb -0.12 -1.71 -0.02 0.00 -0.11 0.00 0.00 41.96 40.01 3dqc s TYR 182 CO 0.00 -0.45 -0.06 -1.14 -1.11 0.00 0.00 175.55 172.80 3dqc s GLN 183 N 0.42 0.43 -0.03 -0.62 0.74 0.52 -1.63 119.66 119.49 3dqc s GLN 183 Ca -0.17 -0.61 -0.01 0.00 0.05 0.00 0.00 55.36 54.63 3dqc s GLN 183 Cb -0.18 -0.19 0.03 0.00 1.10 0.00 0.00 33.01 33.77 3dqc s GLN 183 CO 0.07 0.03 0.05 -1.14 -0.55 0.00 0.00 175.29 173.75 3dqc s GLN 184 N -1.28 -0.01 -0.03 1.67 0.74 -0.20 -1.51 119.66 119.04 3dqc s GLN 184 Ca -0.09 0.21 0.07 0.00 0.05 0.00 0.00 55.36 55.60 3dqc s GLN 184 Cb -0.08 -0.22 -0.01 0.00 1.10 0.00 0.00 33.01 33.79 3dqc s GLN 184 CO -0.00 -0.16 -0.23 -0.80 -0.55 0.00 0.00 175.29 173.55 3dqc s ASN 185 N 1.03 2.73 0.01 6.67 -0.87 -0.12 -0.70 114.94 123.68 3dqc s ASN 185 Ca -0.08 -0.43 0.01 0.00 -1.57 0.00 0.00 52.86 50.78 3dqc s ASN 185 Cb -0.12 -0.45 -0.01 0.00 -0.02 0.00 0.00 41.25 40.65 3dqc s ASN 185 CO -0.03 0.26 -0.03 0.42 -2.57 0.00 0.00 177.10 175.15 3dqc s THR 186 N -0.40 0.19 0.59 1.60 -4.23 -0.59 -1.56 115.64 111.25 3dqc s THR 186 Ca 0.05 -0.30 -0.18 0.00 -1.18 0.00 0.00 61.69 60.08 3dqc s THR 186 Cb -0.10 -0.21 -0.03 0.00 1.34 0.00 0.00 72.50 73.50 3dqc s THR 186 CO 0.00 -0.07 1.16 -2.16 -0.54 0.00 0.00 174.62 173.01 3dqc s PRO 187 N -0.40 3.05 0.00 3.99 0.04 -1.26 -0.12 135.00 140.30 3dqc s PRO 187 Ca -0.03 1.66 -0.13 0.00 0.04 0.00 0.00 61.00 62.54 3dqc s PRO 187 Cb -0.03 -1.96 -0.33 0.00 0.04 0.00 0.00 34.50 32.22 3dqc s PRO 187 CO -0.00 -1.10 0.87 0.82 0.04 0.00 0.00 177.00 177.63 3dqc h ILE 188 N 0.80 1.15 -4.09 0.56 2.04 -1.39 -3.44 117.51 113.14 3dqc h ILE 188 Ca -0.49 -2.64 -0.46 0.00 1.00 0.00 0.00 64.86 62.26 3dqc h ILE 188 Cb 1.27 2.93 0.11 0.00 -0.74 0.00 0.00 36.82 40.39 3dqc h ILE 188 CO 0.55 0.83 0.35 -0.83 0.00 0.00 0.00 178.15 179.06 3dqc s GLY 189 N -4.81 1.68 0.00 5.37 0.00 -1.26 -5.02 107.32 103.28 3dqc s GLY 189 Ca -0.12 -0.94 0.25 0.00 0.00 0.00 0.00 44.72 43.92 3dqc s GLY 189 CO 0.91 -0.39 1.37 1.34 0.00 0.00 0.00 173.10 176.33 3dqc n ASP 190 N -3.31 1.70 -4.36 1.64 2.03 -1.26 -5.00 116.55 107.99 3dqc n ASP 190 Ca 0.10 -1.33 -0.30 0.00 0.52 0.00 0.00 54.79 53.79 3dqc n ASP 190 Cb 0.60 0.24 0.16 0.00 -0.72 0.00 0.00 41.12 41.40 3dqc n ASP 190 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3dqc s GLY 191 N -2.38 1.70 0.49 0.27 0.00 -1.26 -5.02 107.32 101.13 3dqc s GLY 191 Ca 0.24 -1.00 -0.24 0.00 0.00 0.00 0.00 44.72 43.73 3dqc s GLY 191 CO 0.49 -0.31 1.37 -4.14 0.00 0.00 0.00 173.10 170.52 3dqc s PRO 192 N -5.74 3.47 0.19 2.90 0.02 -1.26 -5.05 135.00 129.53 3dqc s PRO 192 Ca 0.70 2.27 0.05 0.00 0.02 0.00 0.00 61.00 64.04 3dqc s PRO 192 Cb -0.07 -2.47 -0.05 0.00 0.02 0.00 0.00 34.50 31.93 3dqc s PRO 192 CO 0.52 -0.94 -0.09 0.14 -0.33 0.00 0.00 177.00 176.31 3dqc s VAL 193 N -1.27 1.33 -0.35 3.83 -7.23 -1.26 -4.85 120.40 110.60 3dqc s VAL 193 Ca 0.65 -2.10 -0.29 0.00 -1.81 0.00 0.00 61.98 58.43 3dqc s VAL 193 Cb -0.41 -2.07 0.02 0.00 0.56 0.00 0.00 36.38 34.48 3dqc s VAL 193 CO 0.50 -0.57 1.12 -0.76 -0.31 0.00 0.00 175.10 175.08 3dqc s LEU 194 N -3.27 3.86 -0.28 1.32 1.43 -1.26 -5.02 118.68 115.47 3dqc s LEU 194 Ca 0.22 0.94 -0.11 0.00 -1.03 0.00 0.00 54.13 54.15 3dqc s LEU 194 Cb 0.03 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.65 3dqc s LEU 194 CO 0.05 -0.99 0.19 -0.76 0.23 0.00 0.00 176.35 175.07 3dqc s LEU 195 N 3.92 4.03 0.41 1.79 1.43 -1.26 -3.99 118.68 125.01 3dqc s LEU 195 Ca 0.47 0.00 -0.03 0.00 -1.03 0.00 0.00 54.13 53.55 3dqc s LEU 195 Cb -0.12 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 3dqc s LEU 195 CO 0.20 -0.04 0.67 -2.16 0.23 0.00 0.00 176.35 175.25 3dqc s PRO 196 N 1.71 3.53 0.60 1.29 0.04 -1.26 -4.95 135.00 135.96 3dqc s PRO 196 Ca 0.07 -0.03 -0.16 0.00 0.04 0.00 0.00 61.00 60.93 3dqc s PRO 196 Cb -0.16 -2.51 -0.03 0.00 0.04 0.00 0.00 34.50 31.84 3dqc s PRO 196 CO 0.10 -0.02 1.08 -0.51 0.04 0.00 0.00 177.00 177.69 3dqc s ASP 197 N -3.97 5.60 0.16 6.66 1.01 -1.26 -4.01 116.67 120.85 3dqc s ASP 197 Ca 0.44 1.91 -0.34 0.00 0.71 0.00 0.00 52.55 55.27 3dqc s ASP 197 Cb -0.10 -2.54 -0.15 0.00 1.01 0.00 0.00 42.92 41.13 3dqc s ASP 197 CO 0.40 -1.29 1.33 0.59 0.21 0.00 0.00 175.17 176.40 3dqc n ASN 198 N -2.04 1.99 -1.23 0.27 3.02 -1.26 -4.87 115.26 111.14 3dqc n ASN 198 Ca 0.09 1.13 -0.01 0.00 -0.03 0.00 0.00 54.58 55.76 3dqc n ASN 198 Cb 0.52 -1.28 0.00 0.00 -0.61 0.00 0.00 39.78 38.41 3dqc n ASN 198 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dqc n HIS 199 N 2.20 -1.10 -4.03 3.10 1.44 -1.02 -4.68 115.22 111.14 3dqc n HIS 199 Ca 0.16 -0.25 -0.08 0.00 -2.01 0.00 0.00 57.72 55.54 3dqc n HIS 199 Cb 0.25 0.11 -0.09 0.00 0.12 0.00 0.00 29.99 30.38 3dqc n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 3dqc s TYR 200 N -7.70 0.42 -0.12 -1.40 -0.85 -0.70 -0.53 117.35 106.47 3dqc s TYR 200 Ca 0.02 -0.92 -0.03 0.00 -0.52 0.00 0.00 57.07 55.62 3dqc s TYR 200 Cb -0.01 -0.30 -0.03 0.00 0.38 0.00 0.00 41.96 42.00 3dqc s TYR 200 CO 0.02 -0.41 0.01 -0.51 -1.52 0.00 0.00 175.55 173.13 3dqc s LEU 201 N -2.84 3.60 -0.24 -3.49 1.43 0.35 -0.51 118.68 116.98 3dqc s LEU 201 Ca 0.06 0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.15 3dqc s LEU 201 Cb 0.07 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 3dqc s LEU 201 CO -0.10 0.31 0.16 -0.44 0.23 0.00 0.00 176.35 176.51 3dqc s SER 202 N -0.46 6.13 -0.10 2.29 0.01 0.01 -0.40 113.70 121.18 3dqc s SER 202 Ca 0.09 0.13 -0.00 0.00 1.31 0.00 0.00 55.95 57.47 3dqc s SER 202 Cb -0.12 -2.11 -0.03 0.00 0.21 0.00 0.00 66.02 63.98 3dqc s SER 202 CO 0.02 0.07 -0.08 -0.31 0.41 0.00 0.00 173.24 173.36 3dqc s TYR 203 N 1.00 2.92 -0.05 2.43 1.51 -0.36 -1.80 117.35 123.01 3dqc s TYR 203 Ca 0.08 -0.16 0.04 0.00 -1.01 0.00 0.00 57.07 56.02 3dqc s TYR 203 Cb -0.13 -1.78 -0.00 0.00 -0.11 0.00 0.00 41.96 39.93 3dqc s TYR 203 CO 0.04 0.16 -0.18 -0.65 -1.11 0.00 0.00 175.55 173.80 3dqc s GLN 204 N -0.36 1.94 -0.02 -0.62 1.11 -0.62 -2.27 119.66 118.83 3dqc s GLN 204 Ca 0.05 -0.65 0.03 0.00 0.01 0.00 0.00 55.36 54.80 3dqc s GLN 204 Cb -0.12 -1.66 -0.00 0.00 -1.01 0.00 0.00 33.01 30.22 3dqc s GLN 204 CO 0.02 0.24 -0.10 -1.12 0.01 0.00 0.00 175.29 174.34 3dqc s SER 205 N 0.08 1.33 -0.06 5.90 0.01 -1.26 -1.93 113.70 117.77 3dqc s SER 205 Ca -0.05 -0.21 0.02 0.00 1.31 0.00 0.00 55.95 57.02 3dqc s SER 205 Cb -0.12 -0.30 0.01 0.00 0.21 0.00 0.00 66.02 65.82 3dqc s SER 205 CO 0.03 0.09 -0.11 0.00 0.41 0.00 0.00 173.24 173.66 3dqc s ALA 206 N 0.04 1.18 -0.11 1.44 0.00 0.17 -4.57 121.76 119.92 3dqc s ALA 206 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.57 3dqc s ALA 206 Cb -0.08 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 3dqc s ALA 206 CO 0.00 0.12 -0.12 -0.51 0.00 0.00 0.00 175.76 175.25 3dqc s LEU 207 N 0.60 2.81 0.00 0.00 1.43 -1.26 -1.27 118.68 120.99 3dqc s LEU 207 Ca -0.13 -0.25 -0.00 0.00 -1.03 0.00 0.00 54.13 52.72 3dqc s LEU 207 Cb -0.15 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.45 3dqc s LEU 207 CO 0.03 0.22 0.46 -1.54 0.23 0.00 0.00 176.35 175.75 3dqc n SER 208 N 3.14 -1.27 -4.34 2.29 3.41 -0.43 -4.92 113.62 111.50 3dqc n SER 208 Ca -0.18 -2.97 -0.26 0.00 -0.26 0.00 0.00 58.87 55.20 3dqc n SER 208 Cb 0.53 2.43 -0.13 0.00 -0.26 0.00 0.00 64.21 66.78 3dqc n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3dqc s LYS 209 N -2.90 1.27 -0.37 4.33 -0.14 -1.26 -1.65 119.74 119.01 3dqc s LYS 209 Ca 0.31 -1.25 -0.22 0.00 -1.36 0.00 0.00 55.97 53.45 3dqc s LYS 209 Cb -0.00 -1.64 0.01 0.00 -1.68 0.00 0.00 37.83 34.51 3dqc s LYS 209 CO 0.22 0.39 0.73 0.34 -0.76 0.00 0.00 175.35 176.27 3dqc s ASP 210 N -1.96 6.49 0.64 2.83 -1.08 -1.26 -4.94 116.67 117.38 3dqc s ASP 210 Ca 0.10 0.21 0.35 0.00 -0.52 0.00 0.00 52.55 52.69 3dqc s ASP 210 Cb -0.10 -2.37 1.93 0.00 -1.46 0.00 0.00 42.92 40.92 3dqc s ASP 210 CO 0.05 -0.70 2.15 1.55 0.52 0.00 0.00 175.17 178.74 3dqc h PRO 211 N 8.53 0.00 -0.62 4.34 0.13 -2.04 -0.27 132.00 142.08 3dqc h PRO 211 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3dqc h PRO 211 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3dqc h PRO 211 CO 0.89 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.75 3dqc n ASN 212 N -3.31 3.66 -4.55 1.44 3.02 -1.26 -4.92 115.26 109.34 3dqc n ASN 212 Ca -0.01 -2.00 -0.36 0.00 -0.03 0.00 0.00 54.58 52.18 3dqc n ASN 212 Cb 0.24 -0.41 -0.11 0.00 -0.61 0.00 0.00 39.78 38.89 3dqc n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3dqc s GLU 213 N -1.01 3.84 0.02 3.52 2.56 -0.12 -4.96 118.70 122.55 3dqc s GLU 213 Ca 0.42 -0.40 0.22 0.00 0.00 0.00 0.00 54.97 55.21 3dqc s GLU 213 Cb 0.22 -3.32 -0.18 0.00 2.00 0.00 0.00 34.13 32.85 3dqc s GLU 213 CO 0.28 0.02 0.77 1.63 -0.56 0.00 0.00 175.26 177.41 3dqc n LYS 214 N 4.31 0.41 -1.74 4.30 5.02 -1.26 -4.87 118.16 124.33 3dqc n LYS 214 Ca -0.16 -0.07 -0.31 0.00 -2.02 0.00 0.00 58.31 55.75 3dqc n LYS 214 Cb 0.52 -1.56 0.04 0.00 -0.02 0.00 0.00 35.03 34.00 3dqc n LYS 214 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3dqc s ARG 215 N -3.30 3.12 -0.03 1.97 0.52 -1.26 -5.00 118.95 114.96 3dqc s ARG 215 Ca -0.01 0.76 -0.30 0.00 -0.52 0.00 0.00 55.73 55.66 3dqc s ARG 215 Cb 0.14 -2.03 -0.05 0.00 0.52 0.00 0.00 34.95 33.53 3dqc s ARG 215 CO 0.86 -0.92 1.49 0.34 0.02 0.00 0.00 175.30 177.10 3dqc s ASP 216 N -4.06 6.77 0.26 0.23 2.15 -1.26 -4.95 116.67 115.81 3dqc s ASP 216 Ca 0.57 2.15 -0.15 0.00 0.43 0.00 0.00 52.55 55.55 3dqc s ASP 216 Cb -0.12 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 3dqc s ASP 216 CO 0.54 -0.81 0.56 -1.38 -0.17 0.00 0.00 175.17 173.91 3dqc s HIS 217 N 3.05 0.22 -0.12 -5.34 -3.43 -1.26 -0.37 115.29 108.04 3dqc s HIS 217 Ca 0.67 -0.62 -0.08 0.00 -0.80 0.00 0.00 55.06 54.23 3dqc s HIS 217 Cb -0.32 0.35 0.04 0.00 -1.43 0.00 0.00 32.58 31.22 3dqc s HIS 217 CO 0.27 -1.09 0.30 1.41 -2.00 0.00 0.00 174.74 173.63 3dqc s MET 218 N -3.90 0.30 -0.24 -0.38 1.75 -0.02 -4.98 119.30 111.83 3dqc s MET 218 Ca 0.19 0.54 -0.10 0.00 -1.25 0.00 0.00 55.69 55.07 3dqc s MET 218 Cb -0.02 0.02 -0.05 0.00 2.84 0.00 0.00 34.83 37.61 3dqc s MET 218 CO 0.09 -0.11 0.15 0.08 -0.65 0.00 0.00 175.02 174.57 3dqc s VAL 219 N 0.85 5.27 -0.11 10.11 1.01 -0.66 -0.41 120.40 136.48 3dqc s VAL 219 Ca -0.06 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.10 3dqc s VAL 219 Cb -0.07 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.87 3dqc s VAL 219 CO -0.06 0.35 -0.21 -0.22 0.00 0.00 0.00 175.10 174.97 3dqc s LEU 220 N 1.02 1.98 -0.13 3.92 2.96 0.15 -1.31 118.68 127.28 3dqc s LEU 220 Ca 0.07 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 3dqc s LEU 220 Cb -0.13 -1.29 0.02 0.00 0.50 0.00 0.00 46.19 45.28 3dqc s LEU 220 CO 0.04 0.10 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.81 3dqc s LEU 221 N 0.58 1.69 -0.03 -0.68 2.96 -0.40 -1.02 118.68 121.78 3dqc s LEU 221 Ca -0.14 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.34 3dqc s LEU 221 Cb -0.17 -1.13 0.00 0.00 0.50 0.00 0.00 46.19 45.40 3dqc s LEU 221 CO 0.04 -0.02 -0.11 -1.61 -1.32 0.00 0.00 176.35 173.33 3dqc s GLU 222 N 1.26 1.12 -0.10 1.98 2.02 -0.63 -0.65 118.70 123.70 3dqc s GLU 222 Ca -0.00 -0.36 0.02 0.00 0.02 0.00 0.00 54.97 54.64 3dqc s GLU 222 Cb -0.14 -1.03 -0.01 0.00 0.10 0.00 0.00 34.13 33.05 3dqc s GLU 222 CO -0.06 0.14 -0.17 -0.06 0.02 0.00 0.00 175.26 175.12 3dqc s PHE 223 N 0.17 2.69 -0.03 1.61 0.08 -0.81 -0.47 117.98 121.21 3dqc s PHE 223 Ca -0.03 -0.68 -0.00 0.00 0.12 0.00 0.00 56.93 56.34 3dqc s PHE 223 Cb -0.09 -1.75 0.03 0.00 -0.57 0.00 0.00 43.02 40.63 3dqc s PHE 223 CO 0.01 -0.20 0.02 0.08 -0.10 0.00 0.00 175.22 175.02 3dqc s VAL 224 N 0.13 0.09 -0.08 -0.44 1.01 0.85 -1.58 120.40 120.38 3dqc s VAL 224 Ca -0.09 0.18 -0.00 0.00 0.00 0.00 0.00 61.98 62.07 3dqc s VAL 224 Cb -0.15 -0.23 0.02 0.00 0.00 0.00 0.00 36.38 36.02 3dqc s VAL 224 CO 0.05 0.15 -0.04 -0.89 0.00 0.00 0.00 175.10 174.37 3dqc s THR 225 N 1.33 0.66 0.41 3.92 2.01 -0.74 -0.99 115.64 122.24 3dqc s THR 225 Ca -0.06 -0.10 -0.24 0.00 0.31 0.00 0.00 61.69 61.60 3dqc s THR 225 Cb -0.13 -0.73 -0.08 0.00 0.01 0.00 0.00 72.50 71.57 3dqc s THR 225 CO -0.03 0.29 1.15 0.00 -0.69 0.00 0.00 174.62 175.35 3dqc s ALA 226 N 1.56 3.10 0.02 7.40 0.00 -0.23 -0.81 121.76 132.81 3dqc s ALA 226 Ca -0.00 0.92 -0.00 0.00 0.00 0.00 0.00 51.96 52.88 3dqc s ALA 226 Cb -0.13 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.62 3dqc s ALA 226 CO -0.04 -0.52 0.03 0.00 0.00 0.00 0.00 175.76 175.23 3dqc n ALA 227 N -0.08 -0.03 -0.01 0.00 0.00 0.33 -4.58 120.51 116.14 3dqc n ALA 227 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3dqc n ALA 227 Cb 0.47 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3dqc n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dqc n GLY 228 N -0.03 0.79 3.15 0.00 0.00 -1.26 -1.72 105.19 106.12 3dqc n GLY 228 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3dqc n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dqc s ILE 229 N -2.28 4.08 -2.53 -0.61 1.01 -1.26 -4.89 121.20 114.72 3dqc s ILE 229 Ca 0.00 -2.66 0.28 0.00 0.00 0.00 0.00 60.65 58.27 3dqc s ILE 229 Cb 0.00 -3.64 0.53 0.00 0.01 0.00 0.00 42.46 39.36 3dqc s ILE 229 CO 0.00 -0.88 1.71 0.35 0.00 0.00 0.00 174.94 176.12