#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qjx s LEU 2 N 0.00 4.25 0.20 0.99 2.96 -1.26 -4.96 118.68 120.86 1qjx s LEU 2 Ca 0.00 1.89 -0.31 0.00 -0.22 0.00 0.00 54.13 55.49 1qjx s LEU 2 Cb 0.00 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 43.04 1qjx s LEU 2 CO 0.00 -0.75 1.55 -2.16 -1.32 0.00 0.00 176.35 173.66 1qjx s PRO 3 N 3.17 4.21 0.18 0.98 0.04 -1.26 -4.99 135.00 137.33 1qjx s PRO 3 Ca 0.60 2.38 0.07 0.00 0.04 0.00 0.00 61.00 64.09 1qjx s PRO 3 Cb -0.26 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 1qjx s PRO 3 CO 0.21 -0.57 -0.14 0.14 0.04 0.00 0.00 177.00 176.68 1qjx s VAL 4 N 0.72 1.58 -0.24 -0.36 -7.23 -1.26 -5.13 120.40 108.48 1qjx s VAL 4 Ca 0.67 -2.09 0.02 0.00 -1.81 0.00 0.00 61.98 58.76 1qjx s VAL 4 Cb -0.44 -1.92 0.06 0.00 0.56 0.00 0.00 36.38 34.64 1qjx s VAL 4 CO 0.36 -0.58 -0.08 -0.47 -0.31 0.00 0.00 175.10 174.02 1qjx s TYR 5 N -2.85 2.74 -0.01 2.82 6.14 -1.26 -5.09 117.35 119.83 1qjx s TYR 5 Ca 0.19 -1.97 -0.30 0.00 0.64 0.00 0.00 57.07 55.63 1qjx s TYR 5 Cb -0.01 -1.72 -0.05 0.00 0.42 0.00 0.00 41.96 40.59 1qjx s TYR 5 CO 0.05 -0.81 1.42 0.08 0.64 0.00 0.00 175.55 176.93 1qjx s VAL 6 N 1.28 3.71 0.21 3.14 1.01 -1.26 -5.00 120.40 123.50 1qjx s VAL 6 Ca -0.07 1.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.95 1qjx s VAL 6 Cb -0.19 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 1qjx s VAL 6 CO -0.06 -0.02 0.43 0.42 0.00 0.00 0.00 175.10 175.87 1qjx s THR 7 N 2.64 5.15 0.46 3.92 -4.23 -1.26 -5.03 115.64 117.29 1qjx s THR 7 Ca 0.64 -0.19 -0.24 0.00 -1.18 0.00 0.00 61.69 60.73 1qjx s THR 7 Cb -0.31 -3.71 -0.09 0.00 1.34 0.00 0.00 72.50 69.73 1qjx s THR 7 CO 0.26 -0.17 1.15 -2.65 -0.54 0.00 0.00 174.62 172.67 1qjx n PRO 8 N -0.60 1.58 0.00 3.99 -0.02 -1.26 -1.91 135.00 136.78 1qjx n PRO 8 Ca -0.04 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1qjx n PRO 8 Cb 0.53 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1qjx n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qjx n GLY 9 N 0.99 2.08 3.59 -1.23 0.00 -1.26 -5.06 105.19 104.30 1qjx n GLY 9 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1qjx n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qjx n SER 10 N 0.00 1.14 0.00 1.61 7.64 -0.80 -1.90 113.62 121.30 1qjx n SER 10 Ca 0.00 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.97 1qjx n SER 10 Cb 0.00 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 61.89 1qjx n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qjx n GLY 11 N 1.24 1.91 3.87 0.23 0.00 -1.26 -4.99 105.19 106.18 1qjx n GLY 11 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1qjx n GLY 11 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1qjx s GLN 12 N -0.05 3.10 -0.25 1.61 -2.07 -0.80 -5.05 119.66 116.15 1qjx s GLN 12 Ca 0.00 0.63 0.02 0.00 -1.82 0.00 0.00 55.36 54.18 1qjx s GLN 12 Cb 0.00 -2.03 0.06 0.00 -1.09 0.00 0.00 33.01 29.95 1qjx s GLN 12 CO 0.00 -0.90 -0.07 0.12 -1.32 0.00 0.00 175.29 173.12 1qjx s PHE 13 N -3.25 2.78 -0.21 9.60 5.36 -1.26 -5.09 117.98 125.92 1qjx s PHE 13 Ca 0.57 -2.03 -0.07 0.00 -0.96 0.00 0.00 56.93 54.44 1qjx s PHE 13 Cb -0.11 -1.77 -0.04 0.00 -0.34 0.00 0.00 43.02 40.76 1qjx s PHE 13 CO 0.53 -0.82 0.07 1.41 -1.46 0.00 0.00 175.22 174.94 1qjx s MET 14 N 1.26 3.85 0.43 10.12 -2.45 -1.26 -4.98 119.30 126.28 1qjx s MET 14 Ca -0.06 -0.40 0.29 0.00 -1.25 0.00 0.00 55.69 54.27 1qjx s MET 14 Cb -0.19 -3.26 1.57 0.00 1.25 0.00 0.00 34.83 34.20 1qjx s MET 14 CO -0.06 0.09 1.89 1.79 1.05 0.00 0.00 175.02 179.78 1qjx h THR 15 N 5.15 0.00 -0.32 10.11 1.35 -2.07 -1.75 112.91 125.37 1qjx h THR 15 Ca -0.37 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1qjx h THR 15 Cb 1.17 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1qjx h THR 15 CO 0.64 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 176.26 1qjx n THR 16 N -2.53 1.57 -1.22 6.82 -2.24 -1.26 -5.02 114.28 110.41 1qjx n THR 16 Ca -0.02 -1.38 -0.29 0.00 -2.27 0.00 0.00 64.05 60.09 1qjx n THR 16 Cb 0.06 0.17 0.15 0.00 -2.10 0.00 0.00 70.33 68.61 1qjx n THR 16 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1qjx s ASP 17 N -1.39 3.17 -0.47 3.42 -4.77 -0.66 -5.02 116.67 110.95 1qjx s ASP 17 Ca 0.32 1.34 0.05 0.00 -3.30 0.00 0.00 52.55 50.96 1qjx s ASP 17 Cb 0.22 -2.01 0.19 0.00 -1.09 0.00 0.00 42.92 40.22 1qjx s ASP 17 CO 0.13 -2.81 0.43 -0.67 0.70 0.00 0.00 175.17 172.95 1qjx n ASP 18 N -3.98 0.51 -4.82 2.11 2.03 -1.26 -5.06 116.55 106.08 1qjx n ASP 18 Ca 0.06 -2.64 -0.27 0.00 0.52 0.00 0.00 54.79 52.45 1qjx n ASP 18 Cb 0.56 -0.61 -0.04 0.00 -0.72 0.00 0.00 41.12 40.31 1qjx n ASP 18 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1qjx s MET 19 N -0.59 2.24 0.29 -0.67 -1.94 -1.26 -5.14 119.30 112.22 1qjx s MET 19 Ca 0.32 -2.06 0.07 0.00 -1.71 0.00 0.00 55.69 52.32 1qjx s MET 19 Cb 0.06 -1.93 -0.03 0.00 2.01 0.00 0.00 34.83 34.93 1qjx s MET 19 CO -0.17 -0.40 0.27 -0.65 -0.01 0.00 0.00 175.02 174.06 1qjx s GLN 20 N -4.07 2.94 -0.10 2.03 -0.21 -1.26 -5.13 119.66 113.86 1qjx s GLN 20 Ca 0.29 -1.10 -0.24 0.00 0.02 0.00 0.00 55.36 54.34 1qjx s GLN 20 Cb 0.00 -2.60 0.06 0.00 1.00 0.00 0.00 33.01 31.47 1qjx s GLN 20 CO 0.17 0.27 0.57 -1.54 -2.12 0.00 0.00 175.29 172.64 1qjx s SER 21 N -3.94 -0.54 0.56 5.90 1.04 -1.26 -5.15 113.70 110.31 1qjx s SER 21 Ca 0.37 0.74 -0.20 0.00 0.48 0.00 0.00 55.95 57.34 1qjx s SER 21 Cb -0.07 0.72 -0.06 0.00 0.10 0.00 0.00 66.02 66.70 1qjx s SER 21 CO 0.27 -0.44 1.05 -0.81 0.98 0.00 0.00 173.24 174.29 1qjx n PRO 22 N 1.62 1.15 -3.21 4.02 -0.04 -1.26 -4.96 135.00 132.32 1qjx n PRO 22 Ca -0.18 0.43 -0.39 0.00 -0.04 0.00 0.00 63.50 63.32 1qjx n PRO 22 Cb 0.56 -2.23 -0.06 0.00 -0.04 0.00 0.00 33.50 31.74 1qjx n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qjx h ALA 24 N 7.03 1.09 -2.75 0.00 0.00 -2.06 -3.34 119.26 119.23 1qjx h ALA 24 Ca -0.38 -0.13 -0.64 0.00 0.00 0.00 0.00 54.91 53.76 1qjx h ALA 24 Cb 1.17 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 18.54 1qjx h ALA 24 CO 0.76 0.17 -0.40 1.28 0.00 0.00 0.00 179.25 181.06 1qjx n LEU 25 N -3.39 3.66 -4.75 0.00 4.77 -1.26 -5.09 117.00 110.94 1qjx n LEU 25 Ca -0.01 -5.26 -0.37 0.00 -0.03 0.00 0.00 56.01 50.34 1qjx n LEU 25 Cb 0.33 -0.84 0.04 0.00 -2.33 0.00 0.00 43.42 40.62 1qjx n LEU 25 CO 0.30 1.79 0.91 -2.16 -1.33 0.00 0.00 177.39 176.90 1qjx s PRO 26 N -1.78 2.97 0.00 3.23 0.04 -1.26 -2.83 135.00 135.37 1qjx s PRO 26 Ca 0.30 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1qjx s PRO 26 Cb 0.01 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1qjx s PRO 26 CO -0.11 -1.26 0.00 0.91 0.04 0.00 0.00 177.00 176.58 1qjx n TRP 27 N -1.40 0.00 -1.90 0.56 8.01 -1.26 -4.96 117.44 116.48 1qjx n TRP 27 Ca 0.13 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.90 1qjx n TRP 27 Cb 0.47 -0.39 -0.02 0.00 -2.01 0.00 0.00 31.31 29.37 1qjx n TRP 27 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.69 176.21 1qjx s TYR 28 N -1.94 2.89 -0.28 -5.99 5.04 -1.13 -5.00 117.35 110.94 1qjx s TYR 28 Ca 0.00 0.92 -0.02 0.00 -2.44 0.00 0.00 57.07 55.52 1qjx s TYR 28 Cb 0.00 -3.94 0.04 0.00 0.35 0.00 0.00 41.96 38.41 1qjx s TYR 28 CO 0.00 -3.09 -0.01 -1.58 -1.34 0.00 0.00 175.55 169.52 1qjx s HIS 29 N -0.02 3.17 0.78 4.97 5.65 -1.26 -5.10 115.29 123.47 1qjx s HIS 29 Ca 0.61 -1.65 -0.14 0.00 0.25 0.00 0.00 55.06 54.12 1qjx s HIS 29 Cb -0.45 -2.11 0.05 0.00 -1.18 0.00 0.00 32.58 28.90 1qjx s HIS 29 CO 0.46 -0.75 1.09 -2.30 -0.65 0.00 0.00 174.74 172.59 1qjx n PRO 30 N 4.67 0.32 -1.91 2.88 -0.02 -1.26 -4.93 135.00 134.75 1qjx n PRO 30 Ca -0.15 0.18 -0.41 0.00 -2.02 0.00 0.00 63.50 61.10 1qjx n PRO 30 Cb 0.45 -2.35 -0.01 0.00 -0.02 0.00 0.00 33.50 31.58 1qjx n PRO 30 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1qjx s THR 31 N -1.99 2.28 0.39 3.45 2.01 -1.26 -4.92 115.64 115.60 1qjx s THR 31 Ca 0.73 0.28 -0.27 0.00 0.31 0.00 0.00 61.69 62.74 1qjx s THR 31 Cb -0.31 -3.18 -0.11 0.00 0.01 0.00 0.00 72.50 68.91 1qjx s THR 31 CO 0.51 0.06 1.35 2.29 -0.69 0.00 0.00 174.62 178.14 1qjx n LYS 32 N 0.51 2.21 -2.70 4.92 2.85 -1.26 -4.95 118.16 119.74 1qjx n LYS 32 Ca 0.01 0.78 -0.41 0.00 -1.05 0.00 0.00 58.31 57.64 1qjx n LYS 32 Cb 0.40 -2.46 -0.05 0.00 -0.65 0.00 0.00 35.03 32.28 1qjx n LYS 32 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1qjx s GLU 33 N -2.09 4.75 0.34 -1.58 2.12 -1.26 -5.06 118.70 115.93 1qjx s GLU 33 Ca 0.57 1.52 0.09 0.00 0.36 0.00 0.00 54.97 57.51 1qjx s GLU 33 Cb -0.52 -3.31 -0.06 0.00 0.26 0.00 0.00 34.13 30.50 1qjx s GLU 33 CO 0.61 0.32 -0.04 0.96 -0.54 0.00 0.00 175.26 176.57 1qjx s ILE 34 N -0.58 2.42 -0.04 -3.70 -4.36 -1.26 -5.09 121.20 108.58 1qjx s ILE 34 Ca 0.45 -2.09 -0.30 0.00 -0.26 0.00 0.00 60.65 58.44 1qjx s ILE 34 Cb -0.26 -2.72 -0.03 0.00 1.25 0.00 0.00 42.46 40.71 1qjx s ILE 34 CO 0.32 -0.20 1.07 0.12 0.24 0.00 0.00 174.94 176.49 1qjx s PHE 35 N -2.57 3.48 -0.11 1.37 5.36 -1.26 -5.02 117.98 119.23 1qjx s PHE 35 Ca 0.34 1.50 0.01 0.00 -0.96 0.00 0.00 56.93 57.81 1qjx s PHE 35 Cb 0.01 -3.25 0.02 0.00 -0.34 0.00 0.00 43.02 39.46 1qjx s PHE 35 CO 0.18 -0.55 -0.12 0.42 -1.46 0.00 0.00 175.22 173.68 1qjx s ILE 36 N 1.61 1.30 0.65 3.12 1.01 -1.26 -5.12 121.20 122.51 1qjx s ILE 36 Ca 0.53 -0.50 -0.17 0.00 0.00 0.00 0.00 60.65 60.51 1qjx s ILE 36 Cb -0.22 -1.23 -0.00 0.00 0.01 0.00 0.00 42.46 41.01 1qjx s ILE 36 CO 0.23 0.41 1.20 -2.84 0.00 0.00 0.00 174.94 173.94 1qjx s PRO 37 N 1.27 2.65 0.00 2.79 0.02 -1.26 -4.04 135.00 136.43 1qjx s PRO 37 Ca -0.02 1.75 0.00 0.00 0.02 0.00 0.00 61.00 62.75 1qjx s PRO 37 Cb -0.14 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.48 1qjx s PRO 37 CO -0.05 -1.44 0.00 0.41 -0.33 0.00 0.00 177.00 175.59 1qjx n GLY 38 N 0.34 0.88 3.77 0.52 0.00 -1.26 -5.05 105.19 104.39 1qjx n GLY 38 Ca 0.13 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 1qjx n GLY 38 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qjx s GLU 39 N -1.73 4.34 -0.08 1.61 2.12 -1.26 -5.01 118.70 118.69 1qjx s GLU 39 Ca 0.00 2.24 0.03 0.00 0.36 0.00 0.00 54.97 57.59 1qjx s GLU 39 Cb 0.00 -3.08 -0.02 0.00 0.26 0.00 0.00 34.13 31.29 1qjx s GLU 39 CO 0.00 -0.23 -0.15 0.08 -0.54 0.00 0.00 175.26 174.41 1qjx s VAL 40 N -0.96 2.93 -0.02 3.70 1.01 -1.26 -5.01 120.40 120.79 1qjx s VAL 40 Ca 0.51 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.78 1qjx s VAL 40 Cb -0.40 -2.17 -0.07 0.00 0.00 0.00 0.00 36.38 33.74 1qjx s VAL 40 CO 0.52 0.57 0.08 0.29 0.00 0.00 0.00 175.10 176.55 1qjx n LYS 41 N 2.80 1.12 -3.79 2.72 5.02 -1.26 -5.03 118.16 119.74 1qjx n LYS 41 Ca -0.18 -0.03 -0.13 0.00 -2.02 0.00 0.00 58.31 55.96 1qjx n LYS 41 Cb 0.52 -1.12 -0.12 0.00 -0.02 0.00 0.00 35.03 34.30 1qjx n LYS 41 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1qjx s ASN 42 N -2.87 -0.25 0.64 4.39 3.84 -1.26 -5.03 114.94 114.40 1qjx s ASN 42 Ca -0.02 0.48 0.39 0.00 0.21 0.00 0.00 52.86 53.92 1qjx s ASN 42 Cb 0.03 0.48 2.18 0.00 -0.55 0.00 0.00 41.25 43.39 1qjx s ASN 42 CO 0.20 -0.09 2.30 -0.07 -2.79 0.00 0.00 177.10 176.65 1qjx h LEU 43 N 5.87 0.00 -2.03 3.21 3.38 -2.02 -0.88 115.31 122.84 1qjx h LEU 43 Ca -0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1qjx h LEU 43 Cb 1.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 1qjx h LEU 43 CO 0.36 0.00 -0.03 -0.29 0.09 0.00 0.00 178.44 178.57 1qjx h ILE 44 N 0.00 0.92 0.00 1.22 6.09 -1.98 -0.02 117.51 123.74 1qjx h ILE 44 Ca 0.01 -0.11 -0.00 0.00 -1.37 0.00 0.00 64.86 63.39 1qjx h ILE 44 Cb 0.08 1.06 -0.00 0.00 0.47 0.00 0.00 36.82 38.43 1qjx h ILE 44 CO -0.00 0.03 -0.00 -0.33 -3.07 0.00 0.00 178.15 174.78 1qjx h GLU 45 N 0.00 0.00 0.00 2.19 5.08 -1.59 -1.41 114.58 118.86 1qjx h GLU 45 Ca -0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1qjx h GLU 45 Cb 0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1qjx h GLU 45 CO 0.00 0.00 -1.15 0.52 -1.00 0.00 0.00 179.01 177.38 1qjx h MET 46 N 0.00 0.00 0.00 2.33 2.86 -1.18 -3.30 114.93 115.64 1qjx h MET 46 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1qjx h MET 46 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1qjx h MET 46 CO 0.00 0.23 0.00 0.00 1.06 0.00 0.00 176.91 178.20 1qjx n GLN 48 N -1.81 2.10 -4.07 0.00 6.02 -0.92 -0.64 117.38 118.05 1qjx n GLN 48 Ca 0.05 -1.64 -0.35 0.00 -0.01 0.00 0.00 57.00 55.06 1qjx n GLN 48 Cb 0.33 -1.46 -0.10 0.00 1.02 0.00 0.00 30.24 30.03 1qjx n GLN 48 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1qjx s VAL 49 N -1.76 4.71 0.24 5.09 1.01 -1.18 -4.74 120.40 123.77 1qjx s VAL 49 Ca 0.34 -0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 1qjx s VAL 49 Cb 0.20 -3.10 -0.10 0.00 0.00 0.00 0.00 36.38 33.38 1qjx s VAL 49 CO 0.30 0.49 1.46 -1.81 0.00 0.00 0.00 175.10 175.53 1qjx s ASP 50 N 0.17 6.64 0.13 3.32 1.01 -1.26 -4.68 116.67 122.01 1qjx s ASP 50 Ca 0.04 2.66 0.03 0.00 0.71 0.00 0.00 52.55 55.99 1qjx s ASP 50 Cb -0.12 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.14 1qjx s ASP 50 CO 0.01 -0.72 -0.07 0.42 0.21 0.00 0.00 175.17 175.01 1qjx s THR 51 N 0.13 0.92 0.26 -1.27 -4.23 -1.13 -4.93 115.64 105.39 1qjx s THR 51 Ca 0.61 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.84 1qjx s THR 51 Cb -0.42 -1.82 -0.09 0.00 1.34 0.00 0.00 72.50 71.51 1qjx s THR 51 CO 0.42 -0.76 0.91 -0.76 -0.54 0.00 0.00 174.62 173.89 1qjx s LEU 52 N -3.12 4.50 -0.23 4.79 1.43 -1.26 -2.10 118.68 122.69 1qjx s LEU 52 Ca 0.16 1.84 -0.15 0.00 -1.03 0.00 0.00 54.13 54.94 1qjx s LEU 52 Cb 0.04 -3.74 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 1qjx s LEU 52 CO -0.01 0.07 0.39 -0.63 0.23 0.00 0.00 176.35 176.40 1qjx s ILE 53 N -1.37 5.19 -1.30 -0.59 1.01 0.38 -4.71 121.20 119.81 1qjx s ILE 53 Ca 0.44 0.65 -0.10 0.00 0.00 0.00 0.00 60.65 61.65 1qjx s ILE 53 Cb -0.22 -3.72 -0.07 0.00 0.01 0.00 0.00 42.46 38.46 1qjx s ILE 53 CO 0.27 0.21 2.51 -0.81 0.00 0.00 0.00 174.94 177.13 1qjx n PRO 54 N 4.84 2.89 0.19 2.79 -0.04 -1.26 -4.60 135.00 139.82 1qjx n PRO 54 Ca -0.08 -1.95 0.05 0.00 -0.04 0.00 0.00 63.50 61.48 1qjx n PRO 54 Cb 0.51 -2.73 0.50 0.00 -0.04 0.00 0.00 33.50 31.74 1qjx n PRO 54 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1qjx h ILE 55 N 3.36 1.11 -1.33 0.52 2.10 -1.83 -2.91 117.51 118.53 1qjx h ILE 55 Ca 0.68 -0.49 -0.71 0.00 1.08 0.00 0.00 64.86 65.42 1qjx h ILE 55 Cb 0.30 1.18 -0.29 0.00 -1.09 0.00 0.00 36.82 36.92 1qjx h ILE 55 CO 1.69 0.15 0.91 -3.20 -1.08 0.00 0.00 178.15 176.62 1qjx n ASN 56 N -4.37 7.61 -3.03 2.19 5.15 0.27 -4.82 115.26 118.25 1qjx n ASN 56 Ca -0.02 -3.81 -0.33 0.00 -0.60 0.00 0.00 54.58 49.83 1qjx n ASN 56 Cb 0.20 -1.00 -0.05 0.00 -0.53 0.00 0.00 39.78 38.40 1qjx n ASN 56 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1qjx n SER 57 N -0.79 7.72 -4.83 1.20 3.41 -1.10 -4.37 113.62 114.86 1qjx n SER 57 Ca 0.60 -2.76 -0.31 0.00 -0.26 0.00 0.00 58.87 56.14 1qjx n SER 57 Cb 0.52 -1.45 0.04 0.00 -0.26 0.00 0.00 64.21 63.06 1qjx n SER 57 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1qjx s THR 58 N 0.68 4.22 0.35 6.66 -4.23 -1.26 -4.76 115.64 117.30 1qjx s THR 58 Ca 0.64 0.74 0.10 0.00 -1.18 0.00 0.00 61.69 61.99 1qjx s THR 58 Cb 0.23 -3.54 0.33 0.00 1.34 0.00 0.00 72.50 70.86 1qjx s THR 58 CO -0.07 -0.93 1.80 -0.61 -0.54 0.00 0.00 174.62 174.27 1qjx h GLN 59 N -0.55 0.61 0.00 3.99 4.15 -1.96 0.56 115.11 121.91 1qjx h GLN 59 Ca -0.44 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1qjx h GLN 59 Cb 1.20 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.76 1qjx h GLN 59 CO 0.58 0.41 0.00 0.66 -1.93 0.00 0.00 178.83 178.55 1qjx h SER 60 N 0.63 0.00 0.52 -0.69 4.64 -1.95 -3.25 113.55 113.44 1qjx h SER 60 Ca 0.55 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.65 1qjx h SER 60 Cb 1.02 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.07 1qjx h SER 60 CO -0.31 0.00 -1.65 0.59 -0.87 0.00 0.00 176.83 174.60 1qjx n ASN 61 N -2.96 0.72 -4.68 4.97 3.02 0.12 -4.92 115.26 111.53 1qjx n ASN 61 Ca 0.03 0.32 -0.45 0.00 -0.03 0.00 0.00 54.58 54.45 1qjx n ASN 61 Cb 0.40 0.29 -0.04 0.00 -0.61 0.00 0.00 39.78 39.82 1qjx n ASN 61 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1qjx n ILE 62 N -2.89 0.09 -0.07 2.41 5.41 -0.77 -1.38 119.36 122.17 1qjx n ILE 62 Ca -0.14 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.59 1qjx n ILE 62 Cb 0.93 -1.68 0.00 0.00 -0.71 0.00 0.00 39.64 38.18 1qjx n ILE 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1qjx n GLY 63 N 3.66 0.97 3.01 7.39 0.00 -1.26 -5.05 105.19 113.91 1qjx n GLY 63 Ca 0.18 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 1qjx n GLY 63 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qjx s ASN 64 N -2.02 0.50 0.53 1.61 3.84 -0.48 -5.02 114.94 113.89 1qjx s ASN 64 Ca 0.00 -0.47 0.27 0.00 0.21 0.00 0.00 52.86 52.86 1qjx s ASN 64 Cb 0.00 0.06 1.49 0.00 -0.55 0.00 0.00 41.25 42.25 1qjx s ASN 64 CO 0.00 -0.23 2.10 -0.37 -2.79 0.00 0.00 177.10 175.82 1qjx h VAL 65 N 4.63 0.61 0.00 -5.21 -1.51 -1.98 -2.08 116.25 110.71 1qjx h VAL 65 Ca -0.33 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 64.72 1qjx h VAL 65 Cb 1.21 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 31.63 1qjx h VAL 65 CO 0.42 0.10 0.00 -1.54 -1.23 0.00 0.00 177.57 175.32 1qjx n SER 66 N -3.75 0.17 0.02 4.19 3.41 -1.26 -0.67 113.62 115.73 1qjx n SER 66 Ca -0.02 0.58 0.10 0.00 -0.26 0.00 0.00 58.87 59.27 1qjx n SER 66 Cb 0.20 -0.60 0.43 0.00 -0.26 0.00 0.00 64.21 63.98 1qjx n SER 66 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1qjx n MET 67 N -1.72 0.04 -0.07 4.33 0.00 -0.78 -2.39 117.12 116.53 1qjx n MET 67 Ca -0.00 0.20 0.12 0.00 0.00 0.00 0.00 57.70 58.01 1qjx n MET 67 Cb 0.01 -1.57 0.17 0.00 0.00 0.00 0.00 33.22 31.84 1qjx n MET 67 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1qjx n TYR 68 N -1.64 0.18 -4.36 3.17 4.01 0.16 -0.57 117.16 118.10 1qjx n TYR 68 Ca 0.04 -0.09 -0.26 0.00 -0.16 0.00 0.00 57.90 57.44 1qjx n TYR 68 Cb 0.24 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.15 1qjx n TYR 68 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1qjx s THR 69 N -1.82 2.07 -0.09 -0.72 -4.23 -1.01 -4.37 115.64 105.47 1qjx s THR 69 Ca 0.32 -1.79 0.03 0.00 -1.18 0.00 0.00 61.69 59.07 1qjx s THR 69 Cb 0.21 -1.89 -0.01 0.00 1.34 0.00 0.00 72.50 72.15 1qjx s THR 69 CO 0.31 -0.06 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.45 1qjx s VAL 70 N -1.39 2.57 -0.11 2.29 1.01 -0.91 -4.52 120.40 119.34 1qjx s VAL 70 Ca 0.14 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.14 1qjx s VAL 70 Cb -0.09 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 1qjx s VAL 70 CO 0.07 0.56 0.27 -0.89 0.00 0.00 0.00 175.10 175.10 1qjx s THR 71 N -0.01 5.30 0.16 3.92 2.01 -1.26 -1.37 115.64 124.39 1qjx s THR 71 Ca -0.06 0.50 0.09 0.00 0.31 0.00 0.00 61.69 62.53 1qjx s THR 71 Cb -0.15 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 1qjx s THR 71 CO 0.05 0.51 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.57 1qjx s LEU 72 N -0.39 2.75 0.14 4.42 1.43 0.69 -4.96 118.68 122.76 1qjx s LEU 72 Ca 0.17 -0.63 -0.24 0.00 -1.03 0.00 0.00 54.13 52.40 1qjx s LEU 72 Cb -0.13 -1.51 0.07 0.00 0.03 0.00 0.00 46.19 44.64 1qjx s LEU 72 CO 0.06 0.14 0.75 -0.94 0.23 0.00 0.00 176.35 176.59 1qjx s SER 73 N -2.50 -0.40 0.25 2.29 1.04 -1.26 -1.59 113.70 111.53 1qjx s SER 73 Ca 0.21 -0.18 -0.31 0.00 0.48 0.00 0.00 55.95 56.15 1qjx s SER 73 Cb -0.09 0.55 -0.12 0.00 0.10 0.00 0.00 66.02 66.45 1qjx s SER 73 CO 0.12 -0.94 1.55 -2.65 0.98 0.00 0.00 173.24 172.30 1qjx n PRO 74 N -0.37 2.44 -4.00 4.02 -0.02 -1.26 -4.49 135.00 131.32 1qjx n PRO 74 Ca -0.11 0.87 -0.25 0.00 -2.02 0.00 0.00 63.50 61.99 1qjx n PRO 74 Cb 0.62 -2.62 -0.04 0.00 -0.02 0.00 0.00 33.50 31.45 1qjx n PRO 74 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1qjx s GLN 75 N -0.13 3.26 -0.00 -0.52 -1.52 -1.26 -5.00 119.66 114.49 1qjx s GLN 75 Ca 0.68 -0.74 0.09 0.00 -1.95 0.00 0.00 55.36 53.45 1qjx s GLN 75 Cb -0.57 -2.84 -0.10 0.00 -0.22 0.00 0.00 33.01 29.29 1qjx s GLN 75 CO 0.46 0.49 0.37 0.25 -0.25 0.00 0.00 175.29 176.60 1qjx n THR 76 N -0.70 0.00 -5.23 -0.19 -2.24 -1.26 -4.94 114.28 99.72 1qjx n THR 76 Ca -0.08 -0.28 -0.30 0.00 -2.27 0.00 0.00 64.05 61.11 1qjx n THR 76 Cb 0.55 0.96 -0.16 0.00 -2.10 0.00 0.00 70.33 69.58 1qjx n THR 76 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1qjx s LYS 77 N -1.90 2.21 0.64 -0.78 1.02 -1.26 -5.14 119.74 114.54 1qjx s LYS 77 Ca 0.03 -0.88 -0.11 0.00 0.02 0.00 0.00 55.97 55.03 1qjx s LYS 77 Cb 0.07 -2.01 -0.02 0.00 -0.52 0.00 0.00 37.83 35.34 1qjx s LYS 77 CO 0.37 0.46 1.04 -0.51 -0.92 0.00 0.00 175.35 175.79 1qjx s LEU 78 N -0.39 3.22 -1.28 3.17 1.43 -1.26 -4.21 118.68 119.35 1qjx s LEU 78 Ca 0.04 1.50 -0.08 0.00 -1.03 0.00 0.00 54.13 54.56 1qjx s LEU 78 Cb -0.11 -4.48 0.06 0.00 0.03 0.00 0.00 46.19 41.69 1qjx s LEU 78 CO 0.01 -1.06 0.47 0.00 0.23 0.00 0.00 176.35 175.99 1qjx n ALA 79 N -2.82 -1.04 -1.77 4.21 0.00 -1.26 -4.94 120.51 112.90 1qjx n ALA 79 Ca 0.07 0.10 -0.36 0.00 0.00 0.00 0.00 53.44 53.25 1qjx n ALA 79 Cb 0.54 -2.78 0.00 0.00 0.00 0.00 0.00 19.45 17.21 1qjx n ALA 79 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1qjx s GLU 80 N -5.92 3.46 0.26 0.00 0.41 -1.26 -4.50 118.70 111.14 1qjx s GLU 80 Ca 0.37 1.69 -0.29 0.00 -0.41 0.00 0.00 54.97 56.32 1qjx s GLU 80 Cb -0.19 -2.14 -0.09 0.00 -1.78 0.00 0.00 34.13 29.93 1qjx s GLU 80 CO 0.45 -0.78 0.99 -2.00 -0.49 0.00 0.00 175.26 173.43 1qjx s GLU 81 N -3.08 4.76 -0.23 1.61 2.12 -1.26 -1.79 118.70 120.82 1qjx s GLU 81 Ca 0.70 1.57 -0.10 0.00 0.36 0.00 0.00 54.97 57.50 1qjx s GLU 81 Cb -0.26 -3.21 -0.11 0.00 0.26 0.00 0.00 34.13 30.81 1qjx s GLU 81 CO 0.30 0.40 -0.29 -0.89 -0.54 0.00 0.00 175.26 174.25 1qjx n ILE 82 N 1.31 1.29 -3.67 -3.70 5.41 0.15 -4.95 119.36 115.20 1qjx n ILE 82 Ca -0.01 -0.35 -0.09 0.00 1.00 0.00 0.00 62.75 63.29 1qjx n ILE 82 Cb 0.47 -1.73 -0.02 0.00 -0.71 0.00 0.00 39.64 37.64 1qjx n ILE 82 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 1qjx s PHE 83 N -2.43 -0.32 -0.23 1.39 -0.12 -1.23 -4.98 117.98 110.05 1qjx s PHE 83 Ca -0.32 -0.03 -0.15 0.00 -0.05 0.00 0.00 56.93 56.38 1qjx s PHE 83 Cb 0.12 0.62 0.07 0.00 -0.63 0.00 0.00 43.02 43.20 1qjx s PHE 83 CO 0.43 -1.06 0.58 0.00 -0.05 0.00 0.00 175.22 175.12 1qjx s ALA 84 N -3.85 -1.51 0.15 1.99 0.00 -1.26 -1.41 121.76 115.87 1qjx s ALA 84 Ca 0.07 1.95 -0.06 0.00 0.00 0.00 0.00 51.96 53.91 1qjx s ALA 84 Cb -0.04 -1.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.91 1qjx s ALA 84 CO -0.02 -0.32 0.21 0.96 0.00 0.00 0.00 175.76 176.59 1qjx s ILE 85 N 1.21 0.08 0.41 0.00 -4.36 -0.64 -5.01 121.20 112.89 1qjx s ILE 85 Ca -0.07 -1.55 -0.19 0.00 -0.26 0.00 0.00 60.65 58.58 1qjx s ILE 85 Cb -0.06 -1.89 -0.10 0.00 1.25 0.00 0.00 42.46 41.66 1qjx s ILE 85 CO -0.12 -0.36 0.90 -0.54 0.24 0.00 0.00 174.94 175.06 1qjx s LYS 86 N -3.99 4.15 0.14 0.37 1.02 -1.26 -1.40 119.74 118.77 1qjx s LYS 86 Ca 0.19 0.99 0.24 0.00 0.02 0.00 0.00 55.97 57.41 1qjx s LYS 86 Cb 0.05 -2.24 0.40 0.00 -0.52 0.00 0.00 37.83 35.52 1qjx s LYS 86 CO 0.00 -0.00 1.38 0.28 -0.92 0.00 0.00 175.35 176.09 1qjx h VAL 87 N 1.83 0.00 -1.42 3.17 2.07 -1.44 -3.45 116.25 117.01 1qjx h VAL 87 Ca -0.49 -0.52 -0.68 0.00 0.82 0.00 0.00 66.70 65.83 1qjx h VAL 87 Cb 1.18 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1qjx h VAL 87 CO 0.62 0.00 1.21 0.47 0.02 0.00 0.00 177.57 179.89 1qjx n ASP 88 N -2.18 2.49 -0.39 0.57 8.00 -1.26 -4.83 116.55 118.94 1qjx n ASP 88 Ca 0.03 0.72 0.32 0.00 0.71 0.00 0.00 54.79 56.57 1qjx n ASP 88 Cb 0.45 -1.25 0.61 0.00 -0.02 0.00 0.00 41.12 40.91 1qjx n ASP 88 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1qjx h ILE 89 N 6.23 0.32 -0.26 0.53 6.09 -1.90 -1.13 117.51 127.39 1qjx h ILE 89 Ca -0.37 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.05 1qjx h ILE 89 Cb 1.31 0.10 0.00 0.00 0.47 0.00 0.00 36.82 38.70 1qjx h ILE 89 CO 0.99 0.04 0.00 0.00 -3.07 0.00 0.00 178.15 176.10 1qjx n ALA 90 N -2.55 2.86 -2.33 0.18 0.00 -1.26 -4.14 120.51 113.28 1qjx n ALA 90 Ca 0.31 -2.16 -0.22 0.00 0.00 0.00 0.00 53.44 51.36 1qjx n ALA 90 Cb 1.21 -0.66 0.01 0.00 0.00 0.00 0.00 19.45 20.00 1qjx n ALA 90 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1qjx s SER 91 N -1.84 5.83 0.23 0.00 1.04 -0.43 -4.48 113.70 114.06 1qjx s SER 91 Ca 0.39 0.22 -0.20 0.00 0.48 0.00 0.00 55.95 56.84 1qjx s SER 91 Cb 0.31 -1.48 -0.08 0.00 0.10 0.00 0.00 66.02 64.87 1qjx s SER 91 CO 0.09 -0.69 0.74 -1.00 0.98 0.00 0.00 173.24 173.37 1qjx s HIS 92 N -2.52 3.64 -1.58 5.02 0.09 -1.26 -0.38 115.29 118.30 1qjx s HIS 92 Ca 0.48 1.42 0.07 0.00 -0.00 0.00 0.00 55.06 57.03 1qjx s HIS 92 Cb -0.10 -2.64 0.25 0.00 -0.00 0.00 0.00 32.58 30.09 1qjx s HIS 92 CO 0.37 0.32 1.11 -0.35 -0.00 0.00 0.00 174.74 176.19 1qjx n PRO 93 N 0.68 1.87 0.13 8.40 -0.04 -1.26 -4.66 135.00 140.12 1qjx n PRO 93 Ca -0.02 -1.01 0.01 0.00 -0.04 0.00 0.00 63.50 62.44 1qjx n PRO 93 Cb 0.51 -1.39 0.08 0.00 -0.04 0.00 0.00 33.50 32.65 1qjx n PRO 93 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1qjx h LEU 94 N 1.51 0.00 -0.98 1.53 3.38 -1.18 -3.38 115.31 116.18 1qjx h LEU 94 Ca 0.00 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.16 1qjx h LEU 94 Cb 0.58 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.15 1qjx h LEU 94 CO 0.06 0.60 -0.27 0.00 0.09 0.00 0.00 178.44 178.91 1qjx h ALA 95 N 1.40 0.57 -0.12 1.53 0.00 -0.87 -1.31 119.26 120.46 1qjx h ALA 95 Ca -0.01 0.37 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1qjx h ALA 95 Cb 1.34 0.79 0.00 0.00 0.00 0.00 0.00 17.79 19.92 1qjx h ALA 95 CO 0.08 -0.42 0.00 0.25 0.00 0.00 0.00 179.25 179.16 1qjx n THR 96 N -5.60 0.15 -1.60 0.00 -2.24 -1.26 -2.23 114.28 101.50 1qjx n THR 96 Ca 0.15 -0.22 -0.31 0.00 -2.27 0.00 0.00 64.05 61.40 1qjx n THR 96 Cb 0.48 0.11 0.06 0.00 -2.10 0.00 0.00 70.33 68.88 1qjx n THR 96 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1qjx s THR 97 N -1.85 3.82 0.23 4.28 -4.23 -0.50 -4.75 115.64 112.65 1qjx s THR 97 Ca 0.28 0.59 -0.06 0.00 -1.18 0.00 0.00 61.69 61.32 1qjx s THR 97 Cb 0.14 -3.36 0.19 0.00 1.34 0.00 0.00 72.50 70.81 1qjx s THR 97 CO 0.22 -0.77 1.79 0.25 -0.54 0.00 0.00 174.62 175.56 1qjx h LEU 98 N -0.78 0.52 -0.93 4.79 5.85 -1.89 0.13 115.31 123.01 1qjx h LEU 98 Ca -0.45 0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.22 1qjx h LEU 98 Cb 1.22 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1qjx h LEU 98 CO 0.58 0.30 -0.46 -0.29 -0.34 0.00 0.00 178.44 178.23 1qjx h ILE 99 N 0.65 1.33 -0.19 4.05 2.10 -1.89 -1.74 117.51 121.82 1qjx h ILE 99 Ca 0.37 -1.63 -0.19 0.00 1.08 0.00 0.00 64.86 64.49 1qjx h ILE 99 Cb 0.37 1.79 -0.00 0.00 -1.09 0.00 0.00 36.82 37.89 1qjx h ILE 99 CO -0.26 0.48 -0.63 1.23 -1.08 0.00 0.00 178.15 177.88 1qjx h GLY 100 N 1.32 0.74 0.92 8.18 0.00 -1.33 -1.01 103.07 111.89 1qjx h GLY 100 Ca 0.01 -0.93 -0.06 0.00 0.00 0.00 0.00 47.33 46.35 1qjx h GLY 100 CO 0.07 0.83 0.00 0.83 0.00 0.00 0.00 176.54 178.27 1qjx h GLU 101 N 0.50 0.63 -0.45 4.80 4.39 -0.34 -1.96 114.58 122.14 1qjx h GLU 101 Ca -0.01 -0.20 -0.07 0.00 0.34 0.00 0.00 59.36 59.42 1qjx h GLU 101 Cb 1.22 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 1qjx h GLU 101 CO 0.13 0.74 -0.01 0.82 -1.16 0.00 0.00 179.01 179.53 1qjx h ILE 102 N 0.44 1.26 0.00 3.13 2.04 -1.31 -2.33 117.51 120.74 1qjx h ILE 102 Ca 0.10 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 64.90 1qjx h ILE 102 Cb 0.45 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1qjx h ILE 102 CO 0.02 0.36 -0.01 0.00 0.00 0.00 0.00 178.15 178.52 1qjx h ALA 103 N 0.91 1.64 0.00 1.87 0.00 -1.07 -0.07 119.26 122.54 1qjx h ALA 103 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1qjx h ALA 103 Cb 0.51 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1qjx h ALA 103 CO 0.02 0.02 0.00 0.43 0.00 0.00 0.00 179.25 179.72 1qjx n SER 104 N -4.03 0.00 -0.89 0.00 7.64 -0.75 -1.65 113.62 113.93 1qjx n SER 104 Ca -0.03 -0.99 0.08 0.00 1.01 0.00 0.00 58.87 58.94 1qjx n SER 104 Cb 0.10 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.50 1qjx n SER 104 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1qjx n TYR 105 N -0.92 0.58 -4.13 1.43 4.01 -0.04 -3.69 117.16 114.40 1qjx n TYR 105 Ca 0.17 -0.43 -0.12 0.00 -0.16 0.00 0.00 57.90 57.36 1qjx n TYR 105 Cb 0.08 -0.01 -0.11 0.00 -0.31 0.00 0.00 39.34 38.99 1qjx n TYR 105 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1qjx s PHE 106 N -1.05 0.83 -0.08 -0.72 0.08 -0.66 -0.38 117.98 116.00 1qjx s PHE 106 Ca 0.32 -0.75 0.04 0.00 0.12 0.00 0.00 56.93 56.66 1qjx s PHE 106 Cb 0.17 -0.48 -0.24 0.00 -0.57 0.00 0.00 43.02 41.89 1qjx s PHE 106 CO 0.23 -0.11 0.50 2.41 -0.10 0.00 0.00 175.22 178.15 1qjx n THR 107 N 0.53 1.68 -4.37 0.64 -1.04 0.05 -4.67 114.28 107.10 1qjx n THR 107 Ca -0.16 -0.73 -0.28 0.00 -2.04 0.00 0.00 64.05 60.84 1qjx n THR 107 Cb 0.58 -1.33 -0.12 0.00 -1.82 0.00 0.00 70.33 67.65 1qjx n THR 107 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1qjx s HIS 108 N -2.58 2.41 0.12 -1.42 3.76 -0.39 -1.06 115.29 116.12 1qjx s HIS 108 Ca -0.13 -0.32 -0.04 0.00 -0.15 0.00 0.00 55.06 54.42 1qjx s HIS 108 Cb 0.07 -1.23 -0.03 0.00 1.11 0.00 0.00 32.58 32.50 1qjx s HIS 108 CO 0.80 0.44 0.10 1.67 -0.85 0.00 0.00 174.74 176.90 1qjx s TRP 109 N -1.42 0.61 0.09 1.40 1.48 -0.21 -1.17 118.94 119.72 1qjx s TRP 109 Ca 0.19 -1.03 -0.26 0.00 -1.06 0.00 0.00 56.10 53.94 1qjx s TRP 109 Cb -0.09 -0.32 0.08 0.00 -1.16 0.00 0.00 33.47 31.97 1qjx s TRP 109 CO 0.10 -0.53 0.93 -0.08 -4.06 0.00 0.00 176.95 173.31 1qjx s THR 110 N -3.98 0.00 0.00 0.66 -1.32 -0.68 -1.35 115.64 108.97 1qjx s THR 110 Ca 0.17 -0.40 0.00 0.00 -1.21 0.00 0.00 61.69 60.25 1qjx s THR 110 Cb 0.06 -1.61 0.00 0.00 -1.51 0.00 0.00 72.50 69.44 1qjx s THR 110 CO -0.03 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.99 1qjx n GLY 111 N -0.39 0.86 3.86 6.08 0.00 -1.26 -1.58 105.19 112.77 1qjx n GLY 111 Ca -0.07 -2.16 -0.33 0.00 0.00 0.00 0.00 46.02 43.46 1qjx n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qjx s SER 112 N 0.00 6.08 0.03 1.61 0.01 -1.26 -4.27 113.70 115.90 1qjx s SER 112 Ca 0.00 0.24 0.02 0.00 1.31 0.00 0.00 55.95 57.51 1qjx s SER 112 Cb 0.00 -1.83 -0.04 0.00 0.21 0.00 0.00 66.02 64.36 1qjx s SER 112 CO 0.00 0.24 0.06 -0.76 0.41 0.00 0.00 173.24 173.19 1qjx s LEU 113 N -2.02 3.77 -0.29 2.44 1.43 -0.65 -0.84 118.68 122.52 1qjx s LEU 113 Ca 0.27 0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 53.39 1qjx s LEU 113 Cb -0.12 -2.31 0.04 0.00 0.03 0.00 0.00 46.19 43.83 1qjx s LEU 113 CO 0.19 0.23 -0.01 -0.60 0.23 0.00 0.00 176.35 176.40 1qjx s ARG 114 N -1.99 2.60 -0.20 1.70 3.52 0.46 -0.11 118.95 124.92 1qjx s ARG 114 Ca 0.25 -1.15 -0.07 0.00 -0.13 0.00 0.00 55.73 54.62 1qjx s ARG 114 Cb -0.12 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 30.08 1qjx s ARG 114 CO 0.17 -0.55 0.06 -0.06 -0.81 0.00 0.00 175.30 174.11 1qjx s PHE 115 N 1.30 3.20 0.17 5.12 0.40 0.36 -1.75 117.98 126.78 1qjx s PHE 115 Ca -0.03 -0.05 0.11 0.00 -0.60 0.00 0.00 56.93 56.36 1qjx s PHE 115 Cb -0.19 -2.12 -0.04 0.00 0.51 0.00 0.00 43.02 41.18 1qjx s PHE 115 CO -0.01 0.02 -0.23 -1.12 0.70 0.00 0.00 175.22 174.57 1qjx s SER 116 N 0.70 3.49 -0.03 1.36 0.01 -0.36 0.37 113.70 119.24 1qjx s SER 116 Ca 0.03 -0.80 -0.00 0.00 1.31 0.00 0.00 55.95 56.49 1qjx s SER 116 Cb -0.13 -0.30 0.03 0.00 0.21 0.00 0.00 66.02 65.83 1qjx s SER 116 CO 0.02 0.14 0.03 -0.36 0.41 0.00 0.00 173.24 173.47 1qjx s PHE 117 N -1.49 0.17 -0.19 2.43 0.40 -0.26 -0.14 117.98 118.90 1qjx s PHE 117 Ca 0.19 0.10 -0.03 0.00 -0.60 0.00 0.00 56.93 56.59 1qjx s PHE 117 Cb -0.09 -0.39 -0.02 0.00 0.51 0.00 0.00 43.02 43.04 1qjx s PHE 117 CO 0.09 -0.14 -0.05 1.41 0.70 0.00 0.00 175.22 177.23 1qjx s MET 118 N 1.39 3.48 0.14 0.44 1.75 -0.30 -1.90 119.30 124.30 1qjx s MET 118 Ca -0.05 -0.60 -0.27 0.00 -1.25 0.00 0.00 55.69 53.52 1qjx s MET 118 Cb -0.13 -2.93 -0.07 0.00 2.84 0.00 0.00 34.83 34.54 1qjx s MET 118 CO -0.03 0.00 0.84 0.12 -0.65 0.00 0.00 175.02 175.31 1qjx s PHE 119 N 0.96 3.87 -0.10 4.11 5.36 -0.92 -0.90 117.98 130.37 1qjx s PHE 119 Ca -0.00 1.68 0.10 0.00 -0.96 0.00 0.00 56.93 57.76 1qjx s PHE 119 Cb -0.15 -2.87 0.17 0.00 -0.34 0.00 0.00 43.02 39.83 1qjx s PHE 119 CO 0.01 0.39 1.10 0.00 -1.46 0.00 0.00 175.22 175.26 1qjx n GLY 121 N -0.95 -2.04 3.69 0.00 0.00 -1.26 -4.63 105.19 99.99 1qjx n GLY 121 Ca 0.09 -1.57 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 1qjx n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qjx s THR 122 N -2.17 2.46 0.09 2.61 -4.23 -1.26 -4.89 115.64 108.25 1qjx s THR 122 Ca 0.36 0.15 0.33 0.00 -1.18 0.00 0.00 61.69 61.34 1qjx s THR 122 Cb -0.02 -2.57 0.36 0.00 1.34 0.00 0.00 72.50 71.60 1qjx s THR 122 CO 0.26 -0.19 1.99 0.00 -0.54 0.00 0.00 174.62 176.14 1qjx h ALA 123 N -1.73 1.00 -0.04 3.99 0.00 -2.01 -2.27 119.26 118.20 1qjx h ALA 123 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1qjx h ALA 123 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1qjx h ALA 123 CO 0.54 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.88 1qjx n ASN 124 N -2.80 2.59 -4.70 0.00 4.13 -1.26 -4.90 115.26 108.31 1qjx n ASN 124 Ca -0.00 -1.86 -0.39 0.00 1.68 0.00 0.00 54.58 54.01 1qjx n ASN 124 Cb 0.19 -0.01 -0.05 0.00 -1.54 0.00 0.00 39.78 38.37 1qjx n ASN 124 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1qjx s THR 125 N -1.97 5.08 0.34 3.41 2.01 -0.86 -4.53 115.64 119.12 1qjx s THR 125 Ca 0.31 1.22 0.08 0.00 0.31 0.00 0.00 61.69 63.61 1qjx s THR 125 Cb 0.20 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 1qjx s THR 125 CO 0.31 0.23 0.15 0.42 -0.69 0.00 0.00 174.62 175.03 1qjx s THR 126 N 1.11 3.03 0.00 -0.82 -4.23 -0.53 -4.86 115.64 109.34 1qjx s THR 126 Ca 0.31 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 1qjx s THR 126 Cb -0.16 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.70 1qjx s THR 126 CO 0.13 -0.18 0.00 -0.11 -0.54 0.00 0.00 174.62 173.92 1qjx n LEU 127 N -1.15 0.00 -3.96 4.79 7.94 -1.26 -1.96 117.00 121.40 1qjx n LEU 127 Ca -0.03 0.00 -0.26 0.00 -1.11 0.00 0.00 56.01 54.61 1qjx n LEU 127 Cb 0.61 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 44.39 1qjx n LEU 127 CO 0.43 0.00 -0.45 -0.54 -1.11 0.00 0.00 177.39 175.72 1qjx s LYS 128 N -1.59 1.60 0.16 1.96 1.02 -1.26 -1.33 119.74 120.30 1qjx s LYS 128 Ca 0.00 -0.33 0.08 0.00 0.02 0.00 0.00 55.97 55.75 1qjx s LYS 128 Cb 0.00 -1.51 -0.04 0.00 -0.52 0.00 0.00 37.83 35.76 1qjx s LYS 128 CO 0.00 -0.14 -0.19 0.08 -0.92 0.00 0.00 175.35 174.19 1qjx s VAL 129 N 1.24 1.80 -0.19 3.17 1.01 -0.36 -0.65 120.40 126.42 1qjx s VAL 129 Ca -0.04 -1.87 -0.02 0.00 0.00 0.00 0.00 61.98 60.06 1qjx s VAL 129 Cb -0.14 -1.81 -0.00 0.00 0.00 0.00 0.00 36.38 34.43 1qjx s VAL 129 CO -0.03 -0.28 -0.10 -0.22 0.00 0.00 0.00 175.10 174.47 1qjx s LEU 130 N -2.56 2.69 -0.20 3.92 0.20 0.35 -0.28 118.68 122.78 1qjx s LEU 130 Ca 0.14 -0.43 -0.05 0.00 0.69 0.00 0.00 54.13 54.48 1qjx s LEU 130 Cb -0.06 -1.65 -0.02 0.00 -0.43 0.00 0.00 46.19 44.02 1qjx s LEU 130 CO 0.06 0.03 -0.00 -0.76 -0.29 0.00 0.00 176.35 175.39 1qjx s LEU 131 N 1.17 3.24 0.06 -0.68 1.43 -0.06 -1.05 118.68 122.79 1qjx s LEU 131 Ca 0.02 -0.22 0.06 0.00 -1.03 0.00 0.00 54.13 52.96 1qjx s LEU 131 Cb -0.14 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 1qjx s LEU 131 CO -0.03 0.05 -0.16 0.00 0.23 0.00 0.00 176.35 176.44 1qjx s ALA 132 N 1.06 1.32 -0.15 4.21 0.00 -0.25 -0.58 121.76 127.37 1qjx s ALA 132 Ca 0.02 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1qjx s ALA 132 Cb -0.14 -0.18 -0.00 0.00 0.00 0.00 0.00 23.12 22.80 1qjx s ALA 132 CO 0.01 0.24 -0.16 -0.47 0.00 0.00 0.00 175.76 175.39 1qjx s TYR 133 N -1.04 2.77 -0.32 0.00 5.04 0.22 -1.13 117.35 122.88 1qjx s TYR 133 Ca 0.02 -1.04 -0.07 0.00 -2.44 0.00 0.00 57.07 53.53 1qjx s TYR 133 Cb -0.09 -1.88 0.02 0.00 0.35 0.00 0.00 41.96 40.37 1qjx s TYR 133 CO 0.02 -0.47 0.11 0.99 -1.34 0.00 0.00 175.55 174.86 1qjx s THR 134 N 0.78 3.98 0.86 4.34 2.01 0.38 -2.01 115.64 125.98 1qjx s THR 134 Ca -0.06 -0.88 -0.11 0.00 0.31 0.00 0.00 61.69 60.95 1qjx s THR 134 Cb -0.15 -3.15 0.11 0.00 0.01 0.00 0.00 72.50 69.32 1qjx s THR 134 CO 0.00 -0.06 1.16 -2.84 -0.69 0.00 0.00 174.62 172.19 1qjx s PRO 135 N 1.47 1.40 1.39 4.92 0.02 -1.26 -2.08 135.00 140.86 1qjx s PRO 135 Ca 0.01 1.56 -0.21 0.00 0.02 0.00 0.00 61.00 62.37 1qjx s PRO 135 Cb -0.18 -1.77 0.36 0.00 0.02 0.00 0.00 34.50 32.93 1qjx s PRO 135 CO 0.03 -2.35 0.94 -1.25 -0.33 0.00 0.00 177.00 174.04 1qjx s PRO 136 N -4.51 -2.71 0.00 5.54 0.04 -1.26 -4.42 135.00 127.69 1qjx s PRO 136 Ca 0.68 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.96 1qjx s PRO 136 Cb -0.24 -1.39 0.00 0.00 0.04 0.00 0.00 34.50 32.91 1qjx s PRO 136 CO 0.55 -4.76 0.00 0.41 0.04 0.00 0.00 177.00 173.24 1qjx n GLY 137 N 1.35 0.74 3.46 0.56 0.00 -1.26 -5.04 105.19 105.00 1qjx n GLY 137 Ca 0.11 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 1qjx n GLY 137 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1qjx s ILE 138 N -2.00 0.00 0.94 -0.61 2.07 -1.26 -5.17 121.20 115.17 1qjx s ILE 138 Ca 0.00 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.12 1qjx s ILE 138 Cb 0.00 -1.00 0.16 0.00 0.13 0.00 0.00 42.46 41.75 1qjx s ILE 138 CO 0.00 0.00 1.12 -0.83 -1.91 0.00 0.00 174.94 173.32 1qjx s GLY 139 N -2.22 1.57 0.47 1.50 0.00 -1.26 -4.97 107.32 102.42 1qjx s GLY 139 Ca -0.03 -0.44 -0.24 0.00 0.00 0.00 0.00 44.72 44.01 1qjx s GLY 139 CO -0.05 0.13 1.32 -1.59 0.00 0.00 0.00 173.10 172.91 1qjx s LYS 140 N -5.14 3.61 0.40 2.90 -2.85 -1.26 -4.91 119.74 112.49 1qjx s LYS 140 Ca 0.64 2.16 -0.27 0.00 -1.00 0.00 0.00 55.97 57.50 1qjx s LYS 140 Cb -0.16 -2.51 -0.10 0.00 -2.06 0.00 0.00 37.83 32.99 1qjx s LYS 140 CO 0.55 -0.79 1.45 -0.35 0.10 0.00 0.00 175.35 176.32 1qjx n PRO 141 N -0.42 2.49 0.00 1.78 -0.04 -1.26 -4.92 135.00 132.63 1qjx n PRO 141 Ca 0.07 0.88 0.11 0.00 -0.04 0.00 0.00 63.50 64.51 1qjx n PRO 141 Cb 0.45 -2.63 0.03 0.00 -0.04 0.00 0.00 33.50 31.31 1qjx n PRO 141 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1qjx n ARG 142 N 0.23 0.04 -3.98 0.54 1.74 -1.26 -4.91 116.66 109.06 1qjx n ARG 142 Ca 0.03 -0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.01 1qjx n ARG 142 Cb 0.40 -1.51 -0.07 0.00 -1.02 0.00 0.00 32.46 30.26 1qjx n ARG 142 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1qjx s SER 143 N -3.12 0.01 0.24 0.55 1.04 -1.26 -5.03 113.70 106.12 1qjx s SER 143 Ca 0.08 -0.91 -0.06 0.00 0.48 0.00 0.00 55.95 55.54 1qjx s SER 143 Cb 0.16 0.47 0.23 0.00 0.10 0.00 0.00 66.02 66.98 1qjx s SER 143 CO 0.80 -0.95 1.84 -0.09 0.98 0.00 0.00 173.24 175.82 1qjx h ARG 144 N 2.47 1.21 -0.87 4.02 2.43 -1.94 -1.40 114.38 120.30 1qjx h ARG 144 Ca -0.31 -0.16 0.03 0.00 -0.81 0.00 0.00 59.98 58.73 1qjx h ARG 144 Cb 1.24 -0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 30.51 1qjx h ARG 144 CO 0.45 0.91 0.57 -0.22 -1.51 0.00 0.00 179.97 180.17 1qjx h LYS 145 N 1.20 1.08 -0.27 0.20 3.64 -1.96 0.15 116.57 120.62 1qjx h LYS 145 Ca 0.29 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 1qjx h LYS 145 Cb 0.08 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1qjx h LYS 145 CO -0.04 0.71 -0.01 1.49 -2.27 0.00 0.00 179.45 179.33 1qjx h GLU 146 N 1.11 0.47 -0.29 1.90 4.81 -1.82 -3.21 114.58 117.55 1qjx h GLU 146 Ca 0.34 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1qjx h GLU 146 Cb -0.02 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1qjx h GLU 146 CO -0.11 0.64 0.09 0.00 -0.73 0.00 0.00 179.01 178.91 1qjx h ALA 147 N 0.81 0.39 0.00 2.92 0.00 -0.78 -3.01 119.26 119.59 1qjx h ALA 147 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1qjx h ALA 147 Cb 0.44 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1qjx h ALA 147 CO 0.02 0.02 0.29 1.98 0.00 0.00 0.00 179.25 181.55 1qjx h MET 148 N 0.32 0.00 0.00 0.00 1.85 -0.72 0.20 114.93 116.57 1qjx h MET 148 Ca 0.10 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.19 1qjx h MET 148 Cb 0.24 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.27 1qjx h MET 148 CO -0.00 0.00 0.00 1.28 -0.40 0.00 0.00 176.91 177.79 1qjx n LEU 149 N -2.81 0.45 0.00 3.39 4.77 -1.13 -4.79 117.00 116.88 1qjx n LEU 149 Ca -0.02 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1qjx n LEU 149 Cb 0.33 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1qjx n LEU 149 CO 0.13 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.59 1qjx n GLY 150 N 0.95 1.61 3.73 -0.72 0.00 0.06 -5.04 105.19 105.78 1qjx n GLY 150 Ca 0.05 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 1qjx n GLY 150 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qjx s THR 151 N 1.95 3.85 0.25 2.61 2.01 -0.85 -4.88 115.64 120.58 1qjx s THR 151 Ca 0.00 1.46 -0.21 0.00 0.31 0.00 0.00 61.69 63.25 1qjx s THR 151 Cb 0.00 -3.93 0.03 0.00 0.01 0.00 0.00 72.50 68.61 1qjx s THR 151 CO 0.00 0.18 0.67 -1.38 -0.69 0.00 0.00 174.62 173.41 1qjx s HIS 152 N 0.40 -0.24 -0.02 4.92 -0.00 -1.26 0.70 115.29 119.80 1qjx s HIS 152 Ca 0.55 -0.16 0.01 0.00 -0.00 0.00 0.00 55.06 55.46 1qjx s HIS 152 Cb -0.30 0.64 0.01 0.00 -0.00 0.00 0.00 32.58 32.92 1qjx s HIS 152 CO 0.33 -1.13 -0.04 0.08 -0.00 0.00 0.00 174.74 173.98 1qjx s VAL 153 N -3.89 0.36 -0.33 -5.38 1.01 0.26 -4.99 120.40 107.44 1qjx s VAL 153 Ca 0.09 -0.13 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 1qjx s VAL 153 Cb -0.04 -0.35 -0.00 0.00 0.00 0.00 0.00 36.38 35.98 1qjx s VAL 153 CO 0.02 0.14 0.19 -0.69 0.00 0.00 0.00 175.10 174.76 1qjx s VAL 154 N 0.31 4.81 -0.24 2.92 1.01 -1.26 -0.88 120.40 127.08 1qjx s VAL 154 Ca -0.03 -0.44 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 1qjx s VAL 154 Cb -0.07 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1qjx s VAL 154 CO -0.00 -0.02 0.40 0.86 0.00 0.00 0.00 175.10 176.33 1qjx s TRP 155 N 1.64 3.31 -0.30 5.22 -0.00 0.61 -4.94 118.94 124.48 1qjx s TRP 155 Ca 0.05 0.53 -0.08 0.00 -0.00 0.00 0.00 56.10 56.59 1qjx s TRP 155 Cb -0.18 -2.56 -0.00 0.00 -0.00 0.00 0.00 33.47 30.73 1qjx s TRP 155 CO 0.08 -0.13 0.11 0.34 -0.00 0.00 0.00 176.95 177.35 1qjx s ASP 156 N 1.34 5.32 0.11 5.86 2.15 -1.26 -1.23 116.67 128.96 1qjx s ASP 156 Ca 0.17 -0.57 -0.31 0.00 0.43 0.00 0.00 52.55 52.28 1qjx s ASP 156 Cb -0.15 -1.94 -0.07 0.00 -0.30 0.00 0.00 42.92 40.46 1qjx s ASP 156 CO 0.09 -0.18 1.25 -0.69 -0.17 0.00 0.00 175.17 175.47 1qjx s VAL 157 N 1.57 3.70 0.00 1.11 1.01 -0.44 -4.95 120.40 122.40 1qjx s VAL 157 Ca 0.04 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.29 1qjx s VAL 157 Cb -0.17 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1qjx s VAL 157 CO 0.04 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1qjx n GLY 158 N 3.03 2.93 0.33 4.51 0.00 -1.26 -4.56 105.19 110.17 1qjx n GLY 158 Ca 0.08 -0.44 0.15 0.00 0.00 0.00 0.00 46.02 45.82 1qjx n GLY 158 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qjx h LEU 159 N 0.00 0.48 -8.80 0.99 3.38 -1.96 -3.33 115.31 106.06 1qjx h LEU 159 Ca 0.00 0.15 -0.63 0.00 0.09 0.00 0.00 57.88 57.49 1qjx h LEU 159 Cb 0.00 0.09 -0.13 0.00 0.09 0.00 0.00 40.66 40.71 1qjx h LEU 159 CO 0.00 0.04 0.17 -1.10 0.09 0.00 0.00 178.44 177.64 1qjx s GLN 160 N -5.84 3.73 0.39 1.13 -0.21 -1.26 -4.94 119.66 112.66 1qjx s GLN 160 Ca -0.11 0.13 0.11 0.00 0.02 0.00 0.00 55.36 55.50 1qjx s GLN 160 Cb 0.26 -3.79 0.81 0.00 1.00 0.00 0.00 33.01 31.28 1qjx s GLN 160 CO 0.79 -0.72 1.91 0.66 -2.12 0.00 0.00 175.29 175.81 1qjx h SER 161 N 8.41 0.16 -3.29 5.90 4.64 -1.92 -3.46 113.55 123.99 1qjx h SER 161 Ca -0.26 -0.03 -0.64 0.00 -0.47 0.00 0.00 61.79 60.38 1qjx h SER 161 Cb 1.11 -0.04 -0.12 0.00 -0.31 0.00 0.00 62.40 63.04 1qjx h SER 161 CO 0.84 0.35 -0.66 -0.89 -0.87 0.00 0.00 176.83 175.60 1qjx s THR 162 N -4.63 4.00 0.09 2.95 2.01 -1.26 -2.17 115.64 116.63 1qjx s THR 162 Ca -0.05 -1.04 0.03 0.00 0.31 0.00 0.00 61.69 60.95 1qjx s THR 162 Cb 0.15 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 1qjx s THR 162 CO 0.73 0.09 -0.09 0.54 -0.69 0.00 0.00 174.62 175.20 1qjx s VAL 163 N -1.36 0.82 -0.01 3.82 0.11 -0.80 -4.97 120.40 118.01 1qjx s VAL 163 Ca 0.26 -1.62 0.04 0.00 -2.93 0.00 0.00 61.98 57.74 1qjx s VAL 163 Cb -0.11 -1.31 -0.01 0.00 -1.53 0.00 0.00 36.38 33.42 1qjx s VAL 163 CO 0.18 -0.60 -0.14 -0.44 -3.33 0.00 0.00 175.10 170.78 1qjx s SER 164 N -2.44 1.66 -0.11 3.54 0.01 -1.26 -1.11 113.70 114.00 1qjx s SER 164 Ca 0.04 -0.26 0.03 0.00 1.31 0.00 0.00 55.95 57.08 1qjx s SER 164 Cb -0.02 -0.23 -0.00 0.00 0.21 0.00 0.00 66.02 65.97 1qjx s SER 164 CO -0.01 0.16 -0.22 -0.22 0.41 0.00 0.00 173.24 173.37 1qjx s LEU 165 N -0.26 2.23 -0.19 2.44 2.96 0.16 -4.96 118.68 121.05 1qjx s LEU 165 Ca 0.04 -0.51 -0.08 0.00 -0.22 0.00 0.00 54.13 53.36 1qjx s LEU 165 Cb -0.06 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 1qjx s LEU 165 CO -0.00 0.16 0.07 -0.69 -1.32 0.00 0.00 176.35 174.57 1qjx s VAL 166 N 0.34 4.82 -0.49 1.68 1.01 -1.26 -0.49 120.40 126.01 1qjx s VAL 166 Ca -0.17 -0.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.61 1qjx s VAL 166 Cb -0.18 -3.19 0.06 0.00 0.00 0.00 0.00 36.38 33.07 1qjx s VAL 166 CO 0.08 0.44 0.55 -0.69 0.00 0.00 0.00 175.10 175.48 1qjx s VAL 167 N 0.56 4.98 0.70 2.92 1.01 0.84 -4.96 120.40 126.44 1qjx s VAL 167 Ca 0.04 -0.61 -0.14 0.00 0.00 0.00 0.00 61.98 61.27 1qjx s VAL 167 Cb -0.13 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 32.04 1qjx s VAL 167 CO 0.01 -0.71 1.12 -2.16 0.00 0.00 0.00 175.10 173.36 1qjx s PRO 168 N 2.35 2.55 -0.69 2.72 0.05 -1.26 -1.63 135.00 139.09 1qjx s PRO 168 Ca 0.12 1.40 -0.27 0.00 0.05 0.00 0.00 61.00 62.30 1qjx s PRO 168 Cb -0.20 -1.92 0.03 0.00 0.05 0.00 0.00 34.50 32.46 1qjx s PRO 168 CO 0.11 -1.45 1.32 -0.46 0.05 0.00 0.00 177.00 176.57 1qjx s TRP 169 N -2.42 2.29 -0.40 0.56 -0.11 -1.26 -4.89 118.94 112.72 1qjx s TRP 169 Ca 0.67 0.13 0.03 0.00 1.22 0.00 0.00 56.10 58.15 1qjx s TRP 169 Cb -0.21 -4.56 0.11 0.00 -1.50 0.00 0.00 33.47 27.32 1qjx s TRP 169 CO 0.45 -2.01 0.13 0.42 -4.62 0.00 0.00 176.95 171.33 1qjx s ILE 170 N 5.87 2.18 0.06 5.86 1.01 -1.26 -5.03 121.20 129.89 1qjx s ILE 170 Ca 0.40 -2.56 -0.04 0.00 0.00 0.00 0.00 60.65 58.45 1qjx s ILE 170 Cb -0.08 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.78 1qjx s ILE 170 CO 0.18 -0.68 0.06 -0.55 0.00 0.00 0.00 174.94 173.95 1qjx s SER 171 N 0.58 0.33 -0.11 3.58 0.15 -1.26 -4.84 113.70 112.13 1qjx s SER 171 Ca 0.13 -0.84 -0.28 0.00 0.70 0.00 0.00 55.95 55.66 1qjx s SER 171 Cb -0.21 0.26 -0.25 0.00 -1.71 0.00 0.00 66.02 64.10 1qjx s SER 171 CO -0.07 -0.65 0.87 0.00 1.20 0.00 0.00 173.24 174.59 1qjx h ALA 172 N 3.02 -0.00 -2.38 5.45 0.00 -1.96 -3.46 119.26 119.93 1qjx h ALA 172 Ca -0.34 -0.46 -0.51 0.00 0.00 0.00 0.00 54.91 53.60 1qjx h ALA 172 Cb 1.17 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1qjx h ALA 172 CO 0.61 -0.03 -0.03 -1.54 0.00 0.00 0.00 179.25 178.26 1qjx s SER 173 N -6.15 6.48 0.48 0.00 1.04 -1.26 -4.99 113.70 109.31 1qjx s SER 173 Ca -0.18 0.90 0.17 0.00 0.48 0.00 0.00 55.95 57.32 1qjx s SER 173 Cb -0.02 -2.22 1.17 0.00 0.10 0.00 0.00 66.02 65.05 1qjx s SER 173 CO 0.69 -0.28 2.06 -0.61 0.98 0.00 0.00 173.24 176.08 1qjx h GLN 174 N 1.50 0.00 -5.09 4.02 5.75 -1.98 -3.44 115.11 115.89 1qjx h GLN 174 Ca -0.47 0.00 -0.40 0.00 -0.15 0.00 0.00 58.65 57.62 1qjx h GLN 174 Cb 1.19 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 29.60 1qjx h GLN 174 CO 0.65 0.12 -0.63 0.71 -2.65 0.00 0.00 178.83 177.03 1qjx s TYR 175 N -4.71 1.70 0.11 3.99 1.51 -1.26 -4.75 117.35 113.94 1qjx s TYR 175 Ca -0.04 -1.01 0.02 0.00 -1.01 0.00 0.00 57.07 55.03 1qjx s TYR 175 Cb 0.16 -1.04 -0.04 0.00 -0.11 0.00 0.00 41.96 40.92 1qjx s TYR 175 CO 0.67 -0.10 -0.07 1.03 -1.11 0.00 0.00 175.55 175.97 1qjx s ARG 176 N -3.92 0.89 0.28 -0.62 0.52 -0.46 -4.95 118.95 110.69 1qjx s ARG 176 Ca 0.34 -1.37 -0.28 0.00 -0.52 0.00 0.00 55.73 53.90 1qjx s ARG 176 Cb 0.07 -0.28 -0.09 0.00 0.52 0.00 0.00 34.95 35.17 1qjx s ARG 176 CO 0.13 -0.01 0.96 -0.06 0.02 0.00 0.00 175.30 176.34 1qjx s PHE 177 N -3.58 3.80 0.17 -0.53 0.08 -1.26 -1.05 117.98 115.61 1qjx s PHE 177 Ca 0.13 1.83 0.00 0.00 0.12 0.00 0.00 56.93 59.02 1qjx s PHE 177 Cb 0.05 -2.99 0.02 0.00 -0.57 0.00 0.00 43.02 39.52 1qjx s PHE 177 CO -0.03 0.22 1.39 1.79 -0.10 0.00 0.00 175.22 178.49 1qjx h THR 178 N 2.89 1.44 -3.96 0.64 1.35 -1.37 -3.44 112.91 110.45 1qjx h THR 178 Ca -0.46 -2.40 -0.48 0.00 -0.55 0.00 0.00 66.41 62.52 1qjx h THR 178 Cb 1.20 2.32 0.01 0.00 -1.73 0.00 0.00 68.15 69.95 1qjx h THR 178 CO 0.66 0.71 0.39 0.28 -0.25 0.00 0.00 175.52 177.32 1qjx s THR 179 N -3.37 3.86 -0.33 6.82 -1.32 -1.26 -4.06 115.64 115.98 1qjx s THR 179 Ca -0.04 1.41 -0.38 0.00 -1.21 0.00 0.00 61.69 61.46 1qjx s THR 179 Cb 0.10 -3.72 -0.14 0.00 -1.51 0.00 0.00 72.50 67.23 1qjx s THR 179 CO 0.84 -0.01 1.98 -2.65 -2.21 0.00 0.00 174.62 172.57 1qjx n PRO 180 N -0.05 1.02 -3.67 7.08 -0.02 -1.26 -4.95 135.00 133.16 1qjx n PRO 180 Ca 0.05 0.33 -0.17 0.00 -2.02 0.00 0.00 63.50 61.70 1qjx n PRO 180 Cb 0.50 -2.20 -0.16 0.00 -0.02 0.00 0.00 33.50 31.63 1qjx n PRO 180 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1qjx s ASP 181 N 5.40 0.70 0.16 2.55 2.15 -1.26 -5.06 116.67 121.30 1qjx s ASP 181 Ca 1.05 0.33 -0.30 0.00 0.43 0.00 0.00 52.55 54.07 1qjx s ASP 181 Cb -1.02 0.27 -0.04 0.00 -0.30 0.00 0.00 42.92 41.82 1qjx s ASP 181 CO 0.59 -0.24 1.55 0.74 -0.17 0.00 0.00 175.17 177.64 1qjx h THR 182 N 6.35 0.02 -1.02 1.71 2.02 -1.98 0.40 112.91 120.41 1qjx h THR 182 Ca -0.15 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.28 1qjx h THR 182 Cb 1.12 0.02 -0.11 0.00 -1.74 0.00 0.00 68.15 67.44 1qjx h THR 182 CO 0.16 0.00 0.63 0.22 0.37 0.00 0.00 175.52 176.90 1qjx h TYR 183 N -0.18 0.86 -0.34 3.16 3.20 -2.00 -2.52 116.97 119.14 1qjx h TYR 183 Ca 0.15 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 1qjx h TYR 183 Cb 0.52 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 1qjx h TYR 183 CO -0.85 0.08 0.02 -1.13 -1.64 0.00 0.00 178.16 174.63 1qjx n SER 184 N -4.76 4.07 -4.73 -2.11 3.41 0.01 -5.00 113.62 104.52 1qjx n SER 184 Ca 0.26 -3.09 -0.42 0.00 -0.26 0.00 0.00 58.87 55.36 1qjx n SER 184 Cb 0.79 -0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 1qjx n SER 184 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1qjx s SER 185 N -1.78 6.65 0.00 4.04 1.04 -0.50 -4.72 113.70 118.42 1qjx s SER 185 Ca 0.45 2.59 0.28 0.00 0.48 0.00 0.00 55.95 59.75 1qjx s SER 185 Cb 0.37 -2.61 0.97 0.00 0.10 0.00 0.00 66.02 64.85 1qjx s SER 185 CO 0.09 -0.74 1.73 0.00 0.98 0.00 0.00 173.24 175.30 1qjx n ALA 186 N 3.25 2.85 0.00 5.32 0.00 -1.26 -4.73 120.51 125.94 1qjx n ALA 186 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1qjx n ALA 186 Cb 0.40 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1qjx n ALA 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qjx n GLY 187 N 1.46 -0.10 3.32 0.00 0.00 -1.26 -4.03 105.19 104.57 1qjx n GLY 187 Ca 0.08 -2.23 -0.17 0.00 0.00 0.00 0.00 46.02 43.70 1qjx n GLY 187 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qjx s TYR 188 N 0.00 1.52 -0.10 1.61 2.02 -0.88 -1.12 117.35 120.40 1qjx s TYR 188 Ca 0.00 -0.89 0.01 0.00 -0.37 0.00 0.00 57.07 55.81 1qjx s TYR 188 Cb 0.00 -0.86 0.02 0.00 -0.40 0.00 0.00 41.96 40.72 1qjx s TYR 188 CO 0.00 -0.02 -0.10 0.42 -1.57 0.00 0.00 175.55 174.28 1qjx s ILE 189 N -3.40 1.14 0.14 2.71 1.01 -0.49 -0.47 121.20 121.84 1qjx s ILE 189 Ca 0.27 -0.41 0.07 0.00 0.00 0.00 0.00 60.65 60.58 1qjx s ILE 189 Cb 0.05 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 1qjx s ILE 189 CO 0.07 0.38 -0.17 0.42 0.00 0.00 0.00 174.94 175.64 1qjx s THR 190 N 1.28 1.59 -0.04 2.92 -4.23 -0.28 -1.63 115.64 115.24 1qjx s THR 190 Ca -0.03 -1.77 0.04 0.00 -1.18 0.00 0.00 61.69 58.75 1qjx s THR 190 Cb -0.14 -1.66 -0.00 0.00 1.34 0.00 0.00 72.50 72.04 1qjx s THR 190 CO -0.04 -0.32 -0.17 0.00 -0.54 0.00 0.00 174.62 173.55 1qjx s TRP 192 N 0.02 0.78 0.01 0.00 0.52 -0.22 0.34 118.94 120.39 1qjx s TRP 192 Ca -0.04 -0.87 -0.30 0.00 0.02 0.00 0.00 56.10 54.92 1qjx s TRP 192 Cb -0.11 -0.47 -0.04 0.00 -1.15 0.00 0.00 33.47 31.70 1qjx s TRP 192 CO 0.02 -0.18 1.06 0.71 0.02 0.00 0.00 176.95 178.58 1qjx s TYR 193 N -3.28 3.57 -0.17 -1.98 2.02 -0.74 -0.49 117.35 116.26 1qjx s TYR 193 Ca 0.07 1.56 -0.22 0.00 -0.37 0.00 0.00 57.07 58.11 1qjx s TYR 193 Cb 0.03 -3.23 -0.22 0.00 -0.40 0.00 0.00 41.96 38.14 1qjx s TYR 193 CO -0.05 -0.45 0.40 0.37 -1.57 0.00 0.00 175.55 174.25 1qjx h GLN 194 N 6.85 0.05 0.00 -0.62 5.75 -1.17 -3.37 115.11 122.60 1qjx h GLN 194 Ca -0.40 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 1qjx h GLN 194 Cb 1.21 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.79 1qjx h GLN 194 CO 0.78 1.04 0.00 0.25 -2.65 0.00 0.00 178.83 178.25 1qjx n THR 195 N -4.36 0.00 -3.47 2.39 -2.24 -0.97 -4.84 114.28 100.80 1qjx n THR 195 Ca -0.26 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.42 1qjx n THR 195 Cb 0.68 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.89 1qjx n THR 195 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1qjx s ASN 196 N 0.95 -0.46 -0.21 3.42 2.47 -1.26 -4.73 114.94 115.12 1qjx s ASN 196 Ca 0.00 -0.00 -0.29 0.00 0.42 0.00 0.00 52.86 52.99 1qjx s ASN 196 Cb 0.00 0.48 0.01 0.00 -1.45 0.00 0.00 41.25 40.29 1qjx s ASN 196 CO 0.00 -0.78 1.06 0.12 -3.72 0.00 0.00 177.10 173.78 1qjx s PHE 197 N -3.41 3.30 -0.02 0.43 2.19 -1.26 -4.20 117.98 115.00 1qjx s PHE 197 Ca 0.03 1.43 0.04 0.00 0.33 0.00 0.00 56.93 58.76 1qjx s PHE 197 Cb -0.01 -3.29 -0.01 0.00 -1.31 0.00 0.00 43.02 38.41 1qjx s PHE 197 CO -0.11 -0.60 -0.14 0.08 1.83 0.00 0.00 175.22 176.29 1qjx s VAL 198 N 3.12 1.13 0.06 3.12 1.01 -0.83 -4.23 120.40 123.77 1qjx s VAL 198 Ca 0.46 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 1qjx s VAL 198 Cb -0.16 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1qjx s VAL 198 CO 0.08 0.33 -0.04 0.68 0.00 0.00 0.00 175.10 176.15 1qjx s VAL 199 N -0.11 0.31 0.86 2.92 -7.23 -1.26 -1.45 120.40 114.43 1qjx s VAL 199 Ca 0.01 -1.71 -0.11 0.00 -1.81 0.00 0.00 61.98 58.36 1qjx s VAL 199 Cb -0.08 -1.38 0.19 0.00 0.56 0.00 0.00 36.38 35.67 1qjx s VAL 199 CO 0.00 -0.90 1.17 -0.81 -0.31 0.00 0.00 175.10 174.25 1qjx n PRO 200 N 0.29 -0.86 -1.19 4.82 -0.05 -1.26 -5.02 135.00 131.73 1qjx n PRO 200 Ca -0.15 -2.17 -0.31 0.00 -0.05 0.00 0.00 63.50 60.82 1qjx n PRO 200 Cb 0.60 -1.09 0.11 0.00 -0.05 0.00 0.00 33.50 33.07 1qjx n PRO 200 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 175.50 174.20 1qjx s PRO 201 N -5.52 1.93 -1.48 0.54 0.04 -1.26 -3.66 135.00 125.60 1qjx s PRO 201 Ca 0.69 1.15 -0.03 0.00 0.04 0.00 0.00 61.00 62.85 1qjx s PRO 201 Cb -0.02 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1qjx s PRO 201 CO 0.48 -1.86 0.41 0.09 0.04 0.00 0.00 177.00 176.15 1qjx n ASN 202 N -3.67 -5.69 -4.04 6.66 3.02 -1.26 -5.01 115.26 105.28 1qjx n ASN 202 Ca 0.09 -0.20 -0.20 0.00 -0.03 0.00 0.00 54.58 54.24 1qjx n ASN 202 Cb 0.53 -4.57 -0.15 0.00 -0.61 0.00 0.00 39.78 34.98 1qjx n ASN 202 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1qjx s THR 203 N -3.08 0.83 0.14 3.41 2.01 -1.24 -5.11 115.64 112.60 1qjx s THR 203 Ca 0.20 -0.43 -0.33 0.00 0.31 0.00 0.00 61.69 61.44 1qjx s THR 203 Cb -0.09 -0.70 -0.17 0.00 0.01 0.00 0.00 72.50 71.55 1qjx s THR 203 CO 0.25 0.24 1.00 -2.65 -0.69 0.00 0.00 174.62 172.77 1qjx n PRO 204 N 2.94 0.68 -0.17 4.92 -0.02 -1.26 -4.86 135.00 137.23 1qjx n PRO 204 Ca -0.15 0.24 0.05 0.00 -2.02 0.00 0.00 63.50 61.63 1qjx n PRO 204 Cb 0.56 -1.63 0.15 0.00 -0.02 0.00 0.00 33.50 32.55 1qjx n PRO 204 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1qjx n ASN 205 N 1.87 1.80 -3.92 2.55 3.02 -1.26 -4.84 115.26 114.48 1qjx n ASN 205 Ca 0.17 -2.01 -0.09 0.00 -0.03 0.00 0.00 54.58 52.62 1qjx n ASN 205 Cb 0.21 -0.23 -0.09 0.00 -0.61 0.00 0.00 39.78 39.07 1qjx n ASN 205 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1qjx s THR 206 N -1.56 0.14 0.01 3.41 -4.23 -1.26 -4.09 115.64 108.07 1qjx s THR 206 Ca 0.22 -1.16 -0.15 0.00 -1.18 0.00 0.00 61.69 59.42 1qjx s THR 206 Cb 0.12 -1.07 0.03 0.00 1.34 0.00 0.00 72.50 72.91 1qjx s THR 206 CO 0.15 -0.64 0.34 0.00 -0.54 0.00 0.00 174.62 173.92 1qjx s ALA 207 N -3.03 -0.81 0.35 3.99 0.00 -0.62 -4.96 121.76 116.68 1qjx s ALA 207 Ca -0.01 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.22 1qjx s ALA 207 Cb 0.01 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 1qjx s ALA 207 CO -0.07 -0.35 0.53 -1.21 0.00 0.00 0.00 175.76 174.66 1qjx s GLU 208 N -1.94 3.23 -0.05 0.00 0.41 -1.26 -0.22 118.70 118.87 1qjx s GLU 208 Ca -0.09 -0.68 -0.04 0.00 -0.41 0.00 0.00 54.97 53.75 1qjx s GLU 208 Cb -0.03 -2.72 0.02 0.00 -1.78 0.00 0.00 34.13 29.62 1qjx s GLU 208 CO 0.01 0.05 0.13 1.41 -0.49 0.00 0.00 175.26 176.36 1qjx s MET 209 N -4.28 0.14 0.05 1.61 -2.45 -0.47 -1.06 119.30 112.84 1qjx s MET 209 Ca 0.43 0.21 0.02 0.00 -1.25 0.00 0.00 55.69 55.11 1qjx s MET 209 Cb -0.10 0.03 -0.04 0.00 1.25 0.00 0.00 34.83 35.97 1qjx s MET 209 CO 0.34 -0.04 0.05 -0.51 1.05 0.00 0.00 175.02 175.91 1qjx s LEU 210 N 0.26 3.72 -0.09 4.11 1.43 -0.07 -2.15 118.68 125.89 1qjx s LEU 210 Ca -0.02 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.11 1qjx s LEU 210 Cb -0.03 -2.33 0.01 0.00 0.03 0.00 0.00 46.19 43.87 1qjx s LEU 210 CO -0.01 0.21 -0.19 0.00 0.23 0.00 0.00 176.35 176.59 1qjx s PHE 212 N 0.58 2.45 -0.10 0.00 0.40 0.80 -0.47 117.98 121.64 1qjx s PHE 212 Ca -0.15 -0.44 -0.14 0.00 -0.60 0.00 0.00 56.93 55.60 1qjx s PHE 212 Cb -0.17 -1.35 0.03 0.00 0.51 0.00 0.00 43.02 42.05 1qjx s PHE 212 CO 0.05 0.57 0.36 0.54 0.70 0.00 0.00 175.22 177.44 1qjx s VAL 213 N -2.55 0.02 0.25 -0.44 0.11 -0.89 -1.22 120.40 115.67 1qjx s VAL 213 Ca 0.33 -0.15 -0.22 0.00 -2.93 0.00 0.00 61.98 59.01 1qjx s VAL 213 Cb 0.00 -0.55 0.03 0.00 -1.53 0.00 0.00 36.38 34.33 1qjx s VAL 213 CO 0.17 -0.08 0.74 -0.94 -3.33 0.00 0.00 175.10 171.66 1qjx s SER 214 N -0.30 -0.29 0.10 3.54 1.04 -0.72 -2.86 113.70 114.22 1qjx s SER 214 Ca -0.04 -0.50 -0.03 0.00 0.48 0.00 0.00 55.95 55.86 1qjx s SER 214 Cb -0.03 0.68 -0.05 0.00 0.10 0.00 0.00 66.02 66.72 1qjx s SER 214 CO 0.02 -1.24 0.30 -0.83 0.98 0.00 0.00 173.24 172.47 1qjx s GLY 215 N -2.90 2.21 0.83 7.32 0.00 0.18 -0.40 107.32 114.56 1qjx s GLY 215 Ca 0.10 -0.69 -0.10 0.00 0.00 0.00 0.00 44.72 44.03 1qjx s GLY 215 CO 0.04 -0.64 1.13 0.00 0.00 0.00 0.00 173.10 173.63 1qjx h LYS 217 N 0.00 0.00 -0.06 0.00 2.10 -1.99 -1.32 116.57 115.29 1qjx h LYS 217 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1qjx h LYS 217 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 1qjx h LYS 217 CO 0.30 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.35 1qjx n ASP 218 N -3.80 2.21 -4.77 7.07 5.75 -1.26 -4.95 116.55 116.80 1qjx n ASP 218 Ca 0.03 -1.74 -0.41 0.00 -0.01 0.00 0.00 54.79 52.66 1qjx n ASP 218 Cb 0.40 -0.03 -0.01 0.00 -1.03 0.00 0.00 41.12 40.45 1qjx n ASP 218 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1qjx s PHE 219 N -1.94 2.85 -0.25 2.11 5.36 -0.50 -3.98 117.98 121.63 1qjx s PHE 219 Ca 0.34 1.25 -0.24 0.00 -0.96 0.00 0.00 56.93 57.32 1qjx s PHE 219 Cb 0.20 -3.85 0.07 0.00 -0.34 0.00 0.00 43.02 39.11 1qjx s PHE 219 CO 0.31 -2.46 0.69 0.00 -1.46 0.00 0.00 175.22 172.31 1qjx s LEU 221 N 0.29 2.75 0.02 0.00 1.43 -1.26 -1.68 118.68 120.23 1qjx s LEU 221 Ca -0.01 -0.69 -0.11 0.00 -1.03 0.00 0.00 54.13 52.30 1qjx s LEU 221 Cb -0.05 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.72 1qjx s LEU 221 CO 0.01 0.11 0.23 -0.60 0.23 0.00 0.00 176.35 176.34 1qjx s ARG 222 N -2.73 0.66 -0.31 1.70 3.52 -0.32 -4.98 118.95 116.49 1qjx s ARG 222 Ca 0.23 -0.45 -0.08 0.00 -0.13 0.00 0.00 55.73 55.30 1qjx s ARG 222 Cb -0.09 0.28 0.01 0.00 -1.56 0.00 0.00 34.95 33.60 1qjx s ARG 222 CO 0.13 -0.19 0.29 -0.12 -0.81 0.00 0.00 175.30 174.60 1qjx n MET 223 N 0.98 -2.33 -1.70 5.12 1.56 -1.26 -1.26 117.12 118.22 1qjx n MET 223 Ca -0.20 2.06 -0.43 0.00 -0.27 0.00 0.00 57.70 58.86 1qjx n MET 223 Cb 0.57 -4.80 -0.01 0.00 2.15 0.00 0.00 33.22 31.13 1qjx n MET 223 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1qjx n ALA 224 N 0.03 1.44 -2.79 -5.12 0.00 -1.26 -0.77 120.51 112.05 1qjx n ALA 224 Ca 0.06 0.38 -0.10 0.00 0.00 0.00 0.00 53.44 53.78 1qjx n ALA 224 Cb 0.23 -2.29 -0.07 0.00 0.00 0.00 0.00 19.45 17.32 1qjx n ALA 224 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1qjx s ARG 225 N -1.32 1.19 0.36 0.00 1.70 0.49 -4.84 118.95 116.52 1qjx s ARG 225 Ca 0.60 -1.14 -0.24 0.00 -0.47 0.00 0.00 55.73 54.48 1qjx s ARG 225 Cb -0.58 0.39 -0.10 0.00 -0.57 0.00 0.00 34.95 34.09 1qjx s ARG 225 CO 0.57 -0.44 0.94 -0.51 -1.08 0.00 0.00 175.30 174.78 1qjx s ASP 226 N -2.96 7.19 0.44 -2.89 1.01 -1.26 -4.28 116.67 113.93 1qjx s ASP 226 Ca 0.16 1.78 -0.21 0.00 0.71 0.00 0.00 52.55 54.99 1qjx s ASP 226 Cb 0.03 -2.56 -0.10 0.00 1.01 0.00 0.00 42.92 41.29 1qjx s ASP 226 CO -0.00 -0.17 0.98 0.28 0.21 0.00 0.00 175.17 176.46 1qjx s THR 227 N -1.82 4.19 -0.98 -1.27 -1.32 -1.24 -4.83 115.64 108.37 1qjx s THR 227 Ca 0.54 1.38 0.14 0.00 -1.21 0.00 0.00 61.69 62.54 1qjx s THR 227 Cb -0.15 -3.56 0.42 0.00 -1.51 0.00 0.00 72.50 67.70 1qjx s THR 227 CO 0.20 -0.28 1.35 -0.90 -2.21 0.00 0.00 174.62 172.78 1qjx n ASP 228 N -0.71 3.37 -1.21 8.08 5.75 -1.26 -4.41 116.55 126.16 1qjx n ASP 228 Ca 0.08 -2.18 0.11 0.00 -0.01 0.00 0.00 54.79 52.78 1qjx n ASP 228 Cb 0.53 -0.34 0.29 0.00 -1.03 0.00 0.00 41.12 40.57 1qjx n ASP 228 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1qjx n LEU 229 N 0.58 3.51 -3.65 -2.12 4.77 -1.26 -4.89 117.00 113.94 1qjx n LEU 229 Ca 0.16 -1.73 -0.14 0.00 -0.03 0.00 0.00 56.01 54.26 1qjx n LEU 229 Cb 0.56 -0.42 -0.08 0.00 -2.33 0.00 0.00 43.42 41.15 1qjx n LEU 229 CO 0.12 0.87 0.31 -2.28 -1.33 0.00 0.00 177.39 175.07 1qjx s HIS 230 N -1.16 -0.64 0.25 -1.77 2.46 -1.26 -5.14 115.29 108.02 1qjx s HIS 230 Ca 0.44 1.48 0.01 0.00 0.47 0.00 0.00 55.06 57.46 1qjx s HIS 230 Cb 0.23 0.25 -0.03 0.00 -0.13 0.00 0.00 32.58 32.90 1qjx s HIS 230 CO 0.30 -0.38 0.21 -1.59 -2.47 0.00 0.00 174.74 170.82 1qjx s LYS 231 N -0.02 1.43 -0.22 2.88 -2.85 -1.26 -4.93 119.74 114.76 1qjx s LYS 231 Ca -0.03 -1.74 -0.03 0.00 -1.00 0.00 0.00 55.97 53.18 1qjx s LYS 231 Cb -0.04 0.31 0.07 0.00 -2.06 0.00 0.00 37.83 36.11 1qjx s LYS 231 CO 0.03 -0.50 0.05 -1.14 0.10 0.00 0.00 175.35 173.88 1qjx s GLN 232 N -3.87 0.64 0.00 1.78 0.74 -1.26 -5.00 119.66 112.69 1qjx s GLN 232 Ca 0.38 -0.52 0.24 0.00 0.05 0.00 0.00 55.36 55.51 1qjx s GLN 232 Cb 0.05 -2.04 0.51 0.00 1.10 0.00 0.00 33.01 32.62 1qjx s GLN 232 CO 0.17 -0.71 1.44 0.25 -0.55 0.00 0.00 175.29 175.89 1qjx n THR 233 N 5.03 0.18 -3.82 -0.34 -2.24 -1.26 -4.99 114.28 106.84 1qjx n THR 233 Ca -0.08 -0.50 -0.08 0.00 -2.27 0.00 0.00 64.05 61.12 1qjx n THR 233 Cb 0.46 0.98 0.02 0.00 -2.10 0.00 0.00 70.33 69.69 1qjx n THR 233 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1qjx s GLY 234 N -1.78 0.30 0.51 3.38 0.00 -1.26 -5.15 107.32 103.33 1qjx s GLY 234 Ca 0.34 -0.66 -0.19 0.00 0.00 0.00 0.00 44.72 44.21 1qjx s GLY 234 CO 0.31 0.11 1.05 2.56 0.00 0.00 0.00 173.10 177.12 1qjx s PRO 235 N -2.39 3.67 -0.31 2.90 0.04 -1.26 -5.00 135.00 132.65 1qjx s PRO 235 Ca 0.16 1.34 -0.10 0.00 0.04 0.00 0.00 61.00 62.44 1qjx s PRO 235 Cb -0.05 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1qjx s PRO 235 CO 0.10 -0.54 0.17 0.42 0.04 0.00 0.00 177.00 177.19 1qjx s ILE 236 N -2.08 4.78 0.43 0.56 1.01 -1.26 -5.08 121.20 119.57 1qjx s ILE 236 Ca 0.67 -0.32 0.07 0.00 0.00 0.00 0.00 60.65 61.07 1qjx s ILE 236 Cb -0.17 -3.42 -0.02 0.00 0.01 0.00 0.00 42.46 38.87 1qjx s ILE 236 CO 0.24 0.08 0.36 0.42 0.00 0.00 0.00 174.94 176.04 1qjx s THR 237 N 1.65 2.47 -2.00 2.92 -4.23 -1.26 -5.30 115.64 109.90 1qjx s THR 237 Ca 0.05 -1.41 0.29 0.00 -1.18 0.00 0.00 61.69 59.44 1qjx s THR 237 Cb -0.17 -2.89 0.81 0.00 1.34 0.00 0.00 72.50 71.60 1qjx s THR 237 CO 0.07 0.00 2.05 1.67 -0.54 0.00 0.00 174.62 177.87