#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xqx s ILE 6 N -2.88 4.90 -0.05 0.00 2.07 -0.65 -4.89 121.20 119.71 1xqx s ILE 6 Ca 0.53 1.62 0.04 0.00 -1.41 0.00 0.00 60.65 61.42 1xqx s ILE 6 Cb -0.10 -4.13 -0.02 0.00 0.13 0.00 0.00 42.46 38.33 1xqx s ILE 6 CO 0.43 0.05 -0.15 -1.61 -1.91 0.00 0.00 174.94 171.75 1xqx s GLU 7 N 2.00 2.52 0.15 3.50 2.02 -1.26 -1.32 118.70 126.31 1xqx s GLU 7 Ca 0.38 -0.71 -0.25 0.00 0.02 0.00 0.00 54.97 54.41 1xqx s GLU 7 Cb -0.17 -2.37 0.07 0.00 0.10 0.00 0.00 34.13 31.76 1xqx s GLU 7 CO 0.13 0.60 0.98 1.21 0.02 0.00 0.00 175.26 178.20 1xqx s ASN 8 N -0.66 -0.16 -0.10 -0.19 3.04 -1.09 -5.05 114.94 110.73 1xqx s ASN 8 Ca 0.10 -0.42 -0.03 0.00 0.04 0.00 0.00 52.86 52.55 1xqx s ASN 8 Cb -0.11 0.48 -0.03 0.00 -1.54 0.00 0.00 41.25 40.05 1xqx s ASN 8 CO 0.01 -0.89 0.04 -0.31 -3.04 0.00 0.00 177.10 172.90 1xqx s TYR 9 N -3.16 3.26 -0.09 0.43 4.12 -1.26 -2.20 117.35 118.45 1xqx s TYR 9 Ca 0.13 0.27 0.02 0.00 0.02 0.00 0.00 57.07 57.50 1xqx s TYR 9 Cb -0.01 -1.83 0.02 0.00 -1.52 0.00 0.00 41.96 38.61 1xqx s TYR 9 CO 0.02 0.52 -0.12 0.00 0.02 0.00 0.00 175.55 175.99 1xqx s ALA 10 N -0.89 1.42 -0.54 3.71 0.00 0.29 -4.92 121.76 120.84 1xqx s ALA 10 Ca 0.13 -0.55 -0.24 0.00 0.00 0.00 0.00 51.96 51.30 1xqx s ALA 10 Cb -0.12 -0.73 0.04 0.00 0.00 0.00 0.00 23.12 22.32 1xqx s ALA 10 CO 0.03 -0.05 0.93 0.21 0.00 0.00 0.00 175.76 176.88 1xqx s LYS 11 N 0.98 3.36 0.00 0.00 2.20 -1.26 0.01 119.74 125.03 1xqx s LYS 11 Ca -0.08 -0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.32 1xqx s LYS 11 Cb -0.15 -4.03 0.00 0.00 -1.51 0.00 0.00 37.83 32.14 1xqx s LYS 11 CO -0.00 -1.44 0.00 1.33 -0.36 0.00 0.00 175.35 174.88 1xqx n VAL 12 N 6.22 0.00 -1.37 4.02 0.24 -0.65 -4.74 118.33 122.06 1xqx n VAL 12 Ca 0.02 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.03 1xqx n VAL 12 Cb 0.48 -0.25 0.03 0.00 -1.47 0.00 0.00 33.84 32.62 1xqx n VAL 12 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1xqx n ASN 13 N 0.00 7.07 0.00 -1.34 5.03 -1.26 -4.69 115.26 120.08 1xqx n ASN 13 Ca 0.00 -3.48 0.00 0.00 0.87 0.00 0.00 54.58 51.97 1xqx n ASN 13 Cb 0.00 -1.07 0.00 0.00 -1.02 0.00 0.00 39.78 37.69 1xqx n ASN 13 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xqx n GLY 14 N -0.11 0.43 3.45 7.41 0.00 -1.26 -5.07 105.19 110.04 1xqx n GLY 14 Ca 0.49 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.29 1xqx n GLY 14 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xqx s ILE 15 N -2.14 1.62 -0.38 -0.61 -4.36 -1.26 -5.10 121.20 108.97 1xqx s ILE 15 Ca 0.00 -2.10 -0.17 0.00 -0.26 0.00 0.00 60.65 58.12 1xqx s ILE 15 Cb 0.00 -2.55 0.00 0.00 1.25 0.00 0.00 42.46 41.17 1xqx s ILE 15 CO 0.00 -0.23 0.45 -0.31 0.24 0.00 0.00 174.94 175.09 1xqx s TYR 16 N -3.02 3.18 -0.21 1.37 1.51 -1.26 -1.64 117.35 117.27 1xqx s TYR 16 Ca 0.31 -0.08 -0.07 0.00 -1.01 0.00 0.00 57.07 56.22 1xqx s TYR 16 Cb 0.05 -2.87 -0.03 0.00 -0.11 0.00 0.00 41.96 38.99 1xqx s TYR 16 CO 0.13 -0.59 0.06 0.42 -1.11 0.00 0.00 175.55 174.46 1xqx s ILE 17 N 2.23 4.44 0.17 2.71 -1.09 0.10 -2.04 121.20 127.73 1xqx s ILE 17 Ca 0.15 -0.14 -0.30 0.00 -2.23 0.00 0.00 60.65 58.13 1xqx s ILE 17 Cb -0.16 -3.04 -0.07 0.00 -1.58 0.00 0.00 42.46 37.61 1xqx s ILE 17 CO 0.13 0.40 0.97 -0.47 -1.23 0.00 0.00 174.94 174.74 1xqx s TYR 18 N 1.03 3.84 0.02 3.97 5.04 -1.26 -0.55 117.35 129.44 1xqx s TYR 18 Ca 0.04 1.82 -0.03 0.00 -2.44 0.00 0.00 57.07 56.45 1xqx s TYR 18 Cb -0.14 -3.06 -0.01 0.00 0.35 0.00 0.00 41.96 39.10 1xqx s TYR 18 CO 0.03 0.18 0.04 1.52 -1.34 0.00 0.00 175.55 175.98 1xqx s TYR 19 N -0.47 0.20 -0.14 4.97 1.13 -0.93 -1.03 117.35 121.07 1xqx s TYR 19 Ca 0.45 -0.43 -0.00 0.00 -1.41 0.00 0.00 57.07 55.68 1xqx s TYR 19 Cb -0.25 -0.15 0.03 0.00 -1.10 0.00 0.00 41.96 40.49 1xqx s TYR 19 CO 0.31 -0.25 -0.07 0.21 -2.51 0.00 0.00 175.55 173.24 1xqx s LYS 20 N -1.68 1.58 -0.27 -3.49 2.20 0.86 -2.69 119.74 116.25 1xqx s LYS 20 Ca -0.13 -0.43 -0.06 0.00 -0.36 0.00 0.00 55.97 54.99 1xqx s LYS 20 Cb -0.07 -1.87 0.00 0.00 -1.51 0.00 0.00 37.83 34.38 1xqx s LYS 20 CO -0.01 -0.35 0.04 -1.17 -0.36 0.00 0.00 175.35 173.51 1xqx s LEU 21 N 1.64 3.54 -0.29 5.43 2.96 -0.44 -0.10 118.68 131.42 1xqx s LEU 21 Ca 0.03 -0.57 -0.04 0.00 -0.22 0.00 0.00 54.13 53.33 1xqx s LEU 21 Cb -0.14 -1.84 0.03 0.00 0.50 0.00 0.00 46.19 44.73 1xqx s LEU 21 CO -0.08 -0.13 0.03 0.00 -1.32 0.00 0.00 176.35 174.85 1xqx s LYS 23 N 1.38 1.90 0.31 0.00 -2.85 -1.26 0.09 119.74 119.31 1xqx s LYS 23 Ca -0.01 -2.14 0.00 0.00 -1.00 0.00 0.00 55.97 52.82 1xqx s LYS 23 Cb -0.18 -0.86 0.00 0.00 -2.06 0.00 0.00 37.83 34.73 1xqx s LYS 23 CO -0.00 -0.37 0.00 0.00 0.10 0.00 0.00 175.35 175.08 1xqx n ALA 24 N -0.91 -3.35 -1.81 0.59 0.00 -1.26 -4.98 120.51 108.78 1xqx n ALA 24 Ca -0.07 0.44 -0.33 0.00 0.00 0.00 0.00 53.44 53.48 1xqx n ALA 24 Cb 0.66 -1.17 -0.05 0.00 0.00 0.00 0.00 19.45 18.89 1xqx n ALA 24 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1xqx s PRO 25 N -2.61 4.02 -1.30 0.00 0.02 -1.26 -4.66 135.00 129.22 1xqx s PRO 25 Ca 0.00 1.10 -0.05 0.00 0.02 0.00 0.00 61.00 62.08 1xqx s PRO 25 Cb 0.00 -2.14 -0.00 0.00 0.02 0.00 0.00 34.50 32.37 1xqx s PRO 25 CO 0.00 -0.21 0.63 0.39 -0.33 0.00 0.00 177.00 177.47 1xqx n GLU 26 N -1.09 -3.49 -1.69 5.54 -0.58 -1.26 -4.44 120.64 113.63 1xqx n GLU 26 Ca 0.07 0.52 -0.57 0.00 -0.42 0.00 0.00 57.16 56.76 1xqx n GLU 26 Cb 0.54 -4.75 -0.07 0.00 -0.57 0.00 0.00 31.44 26.58 1xqx n GLU 26 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1xqx n GLU 27 N -4.26 1.08 -0.01 3.49 2.13 -1.26 -4.73 120.64 117.08 1xqx n GLU 27 Ca -0.25 0.39 0.10 0.00 0.66 0.00 0.00 57.16 58.06 1xqx n GLU 27 Cb 0.66 -2.06 -0.15 0.00 0.27 0.00 0.00 31.44 30.16 1xqx n GLU 27 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1xqx n LYS 28 N 4.83 0.60 -3.57 5.31 4.76 0.20 -5.03 118.16 125.26 1xqx n LYS 28 Ca 0.25 -0.18 -0.06 0.00 -2.87 0.00 0.00 58.31 55.45 1xqx n LYS 28 Cb 0.13 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 31.83 1xqx n LYS 28 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xqx s ALA 29 N -3.37 -1.86 -0.02 7.82 0.00 -1.15 -5.03 121.76 118.16 1xqx s ALA 29 Ca -0.07 0.95 0.02 0.00 0.00 0.00 0.00 51.96 52.86 1xqx s ALA 29 Cb 0.13 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.58 1xqx s ALA 29 CO 0.83 -0.75 -0.06 0.15 0.00 0.00 0.00 175.76 175.92 1xqx s LYS 30 N -2.99 2.62 -0.21 0.00 1.02 -1.26 0.19 119.74 119.11 1xqx s LYS 30 Ca 0.07 -0.67 -0.01 0.00 0.02 0.00 0.00 55.97 55.39 1xqx s LYS 30 Cb -0.01 -2.54 0.06 0.00 -0.52 0.00 0.00 37.83 34.82 1xqx s LYS 30 CO -0.06 0.62 -0.02 -1.17 -0.92 0.00 0.00 175.35 173.80 1xqx s LEU 31 N -1.26 1.93 0.24 3.17 2.96 0.24 -2.09 118.68 123.88 1xqx s LEU 31 Ca 0.16 -0.98 -0.25 0.00 -0.22 0.00 0.00 54.13 52.84 1xqx s LEU 31 Cb -0.11 -0.93 -0.09 0.00 0.50 0.00 0.00 46.19 45.56 1xqx s LEU 31 CO 0.06 -0.25 0.85 -0.04 -1.32 0.00 0.00 176.35 175.64 1xqx s MET 32 N 1.60 4.54 0.02 1.98 -1.94 0.78 -0.18 119.30 126.10 1xqx s MET 32 Ca -0.03 1.19 0.06 0.00 -1.71 0.00 0.00 55.69 55.20 1xqx s MET 32 Cb -0.18 -3.01 -0.02 0.00 2.01 0.00 0.00 34.83 33.63 1xqx s MET 32 CO -0.07 0.42 -0.18 0.95 -0.01 0.00 0.00 175.02 176.13 1xqx s THR 33 N -1.40 1.45 -0.28 2.05 -4.23 -0.63 -0.46 115.64 112.14 1xqx s THR 33 Ca 0.43 -1.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.95 1xqx s THR 33 Cb -0.20 -1.25 0.08 0.00 1.34 0.00 0.00 72.50 72.46 1xqx s THR 33 CO 0.25 0.23 -0.01 -0.04 -0.54 0.00 0.00 174.62 174.51 1xqx s MET 34 N -0.91 1.49 1.09 3.99 -1.94 0.68 -4.46 119.30 119.25 1xqx s MET 34 Ca 0.06 -1.28 -0.12 0.00 -1.71 0.00 0.00 55.69 52.63 1xqx s MET 34 Cb -0.08 -2.69 0.24 0.00 2.01 0.00 0.00 34.83 34.32 1xqx s MET 34 CO 0.01 -0.75 1.05 -3.38 -0.01 0.00 0.00 175.02 171.94 1xqx s HIS 35 N 1.27 1.61 0.00 -0.03 -3.43 -1.26 -1.46 115.29 111.99 1xqx s HIS 35 Ca 0.01 1.17 0.00 0.00 -0.80 0.00 0.00 55.06 55.44 1xqx s HIS 35 Cb -0.19 -3.16 0.00 0.00 -1.43 0.00 0.00 32.58 27.80 1xqx s HIS 35 CO -0.10 -3.49 0.00 0.41 -2.00 0.00 0.00 174.74 169.56 1xqx n GLY 36 N 0.16 1.34 0.00 -1.38 0.00 -1.16 -2.86 105.19 101.29 1xqx n GLY 36 Ca 0.04 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1xqx n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xqx n GLY 37 N 5.00 0.97 3.76 -0.02 0.00 -1.26 -2.88 105.19 110.75 1xqx n GLY 37 Ca 0.00 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 1xqx n GLY 37 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xqx s PRO 38 N 0.00 3.45 0.00 1.61 0.02 -1.26 -4.73 135.00 134.09 1xqx s PRO 38 Ca 0.00 1.95 0.00 0.00 0.02 0.00 0.00 61.00 62.97 1xqx s PRO 38 Cb 0.00 -2.30 0.00 0.00 0.02 0.00 0.00 34.50 32.22 1xqx s PRO 38 CO 0.00 -0.86 0.00 0.41 -0.33 0.00 0.00 177.00 176.22 1xqx n GLY 39 N 0.55 0.88 0.00 0.52 0.00 -1.24 -2.88 105.19 103.02 1xqx n GLY 39 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1xqx n GLY 39 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xqx n MET 40 N -1.20 0.00 -3.77 1.61 2.81 -1.14 -3.45 117.12 111.98 1xqx n MET 40 Ca 0.00 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.84 1xqx n MET 40 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.49 1xqx n MET 40 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1xqx s SER 41 N -1.00 -0.21 0.54 7.83 1.04 -1.26 -3.45 113.70 117.19 1xqx s SER 41 Ca 0.00 -0.44 0.33 0.00 0.48 0.00 0.00 55.95 56.32 1xqx s SER 41 Cb 0.00 0.55 1.39 0.00 0.10 0.00 0.00 66.02 68.06 1xqx s SER 41 CO 0.00 -1.01 2.00 1.12 0.98 0.00 0.00 173.24 176.33 1xqx h HIS 42 N 2.00 0.00 -0.73 5.02 2.07 -1.97 -3.35 115.15 118.20 1xqx h HIS 42 Ca -0.23 0.00 0.14 0.00 -2.85 0.00 0.00 60.37 57.44 1xqx h HIS 42 Cb 1.24 0.00 -0.14 0.00 2.57 0.00 0.00 27.41 31.08 1xqx h HIS 42 CO 0.39 0.03 -0.20 -0.44 -3.07 0.00 0.00 177.93 174.64 1xqx h ASP 43 N 0.00 -0.73 0.45 3.10 3.32 -1.96 0.11 116.42 120.71 1xqx h ASP 43 Ca -0.00 0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1xqx h ASP 43 Cb 0.50 0.47 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1xqx h ASP 43 CO 0.00 -0.25 0.00 0.00 -1.72 0.00 0.00 179.24 177.28 1xqx n TYR 44 N -5.48 0.00 1.11 4.55 4.11 -1.18 -1.74 117.16 118.52 1xqx n TYR 44 Ca 0.09 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 58.12 1xqx n TYR 44 Cb 0.38 -0.45 0.31 0.00 -0.00 0.00 0.00 39.34 39.58 1xqx n TYR 44 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1xqx n LEU 45 N -1.45 2.32 0.28 -3.48 4.77 0.39 -4.51 117.00 115.32 1xqx n LEU 45 Ca 0.04 -0.84 0.17 0.00 -0.03 0.00 0.00 56.01 55.35 1xqx n LEU 45 Cb 0.16 -0.05 0.93 0.00 -2.33 0.00 0.00 43.42 42.13 1xqx n LEU 45 CO 0.13 0.42 1.14 -0.07 -1.33 0.00 0.00 177.39 177.68 1xqx h LEU 46 N 3.43 0.00 -2.51 2.23 3.38 -1.28 -2.22 115.31 118.34 1xqx h LEU 46 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xqx h LEU 46 Cb 0.74 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1xqx h LEU 46 CO 0.00 0.00 -0.02 0.77 0.09 0.00 0.00 178.44 179.28 1xqx h SER 47 N 0.00 0.00 0.31 -0.43 4.64 -1.84 -0.17 113.55 116.07 1xqx h SER 47 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1xqx h SER 47 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1xqx h SER 47 CO -0.00 0.02 0.00 0.18 -0.87 0.00 0.00 176.83 176.16 1xqx n LEU 48 N -3.25 0.00 0.28 5.97 4.32 -0.83 -2.23 117.00 121.26 1xqx n LEU 48 Ca -0.02 0.43 0.19 0.00 -0.02 0.00 0.00 56.01 56.58 1xqx n LEU 48 Cb 0.14 -0.43 0.97 0.00 -1.62 0.00 0.00 43.42 42.48 1xqx n LEU 48 CO 0.24 -0.27 1.06 -0.09 -1.22 0.00 0.00 177.39 177.10 1xqx h ARG 49 N 0.00 0.00 0.00 3.23 2.43 -1.23 -1.68 114.38 117.13 1xqx h ARG 49 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1xqx h ARG 49 Cb 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1xqx h ARG 49 CO 0.00 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.21 1xqx n ASP 50 N -2.83 0.51 -0.28 -3.80 10.43 -0.95 -2.09 116.55 117.55 1xqx n ASP 50 Ca -0.02 0.69 0.14 0.00 2.57 0.00 0.00 54.79 58.17 1xqx n ASP 50 Cb 0.10 -0.77 0.68 0.00 1.84 0.00 0.00 41.12 42.96 1xqx n ASP 50 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36 1xqx n MET 51 N -2.13 1.39 0.11 -1.24 2.81 -0.63 -3.50 117.12 113.93 1xqx n MET 51 Ca 0.00 -0.56 -0.03 0.00 -1.81 0.00 0.00 57.70 55.30 1xqx n MET 51 Cb 0.11 -1.47 0.07 0.00 -0.71 0.00 0.00 33.22 31.22 1xqx n MET 51 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1xqx h THR 52 N 1.34 1.49 -0.07 2.03 1.35 -1.36 0.22 112.91 117.91 1xqx h THR 52 Ca 0.00 -2.57 0.00 0.00 -0.55 0.00 0.00 66.41 63.29 1xqx h THR 52 Cb 0.29 2.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 1xqx h THR 52 CO 0.00 0.72 0.00 2.29 -0.25 0.00 0.00 175.52 178.28 1xqx n LYS 53 N -3.60 1.24 -0.10 4.72 2.85 -1.23 -2.24 118.16 119.80 1xqx n LYS 53 Ca -0.01 -0.37 0.03 0.00 -1.05 0.00 0.00 58.31 56.92 1xqx n LYS 53 Cb 0.73 -1.24 0.09 0.00 -0.65 0.00 0.00 35.03 33.96 1xqx n LYS 53 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1xqx n GLU 54 N -0.34 2.81 -0.68 -1.58 -0.58 -1.02 -4.95 120.64 114.29 1xqx n GLU 54 Ca 0.11 -1.80 0.00 0.00 -0.42 0.00 0.00 57.16 55.04 1xqx n GLU 54 Cb 0.13 -1.16 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 1xqx n GLU 54 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xqx n GLY 55 N 0.14 0.66 3.57 0.62 0.00 -0.95 -4.90 105.19 104.32 1xqx n GLY 55 Ca 0.07 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1xqx n GLY 55 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xqx s ILE 56 N -2.00 5.15 -0.27 -0.61 -1.09 0.04 0.59 121.20 123.01 1xqx s ILE 56 Ca 0.00 0.11 -0.24 0.00 -2.23 0.00 0.00 60.65 58.29 1xqx s ILE 56 Cb 0.00 -3.45 -0.00 0.00 -1.58 0.00 0.00 42.46 37.43 1xqx s ILE 56 CO 0.00 0.27 0.83 -0.89 -1.23 0.00 0.00 174.94 173.92 1xqx s THR 57 N 1.73 4.81 -0.18 2.92 2.01 0.13 -3.13 115.64 123.93 1xqx s THR 57 Ca 0.07 1.47 -0.07 0.00 0.31 0.00 0.00 61.69 63.47 1xqx s THR 57 Cb -0.16 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 1xqx s THR 57 CO 0.10 -0.15 0.05 0.68 -0.69 0.00 0.00 174.62 174.61 1xqx s VAL 58 N 2.92 4.65 -0.22 3.82 -7.23 0.11 0.82 120.40 125.27 1xqx s VAL 58 Ca 0.35 -0.08 -0.04 0.00 -1.81 0.00 0.00 61.98 60.39 1xqx s VAL 58 Cb -0.15 -3.09 -0.01 0.00 0.56 0.00 0.00 36.38 33.70 1xqx s VAL 58 CO 0.09 0.47 -0.04 -0.22 -0.31 0.00 0.00 175.10 175.09 1xqx s LEU 59 N 0.36 2.94 0.18 1.32 2.96 0.75 -0.58 118.68 126.61 1xqx s LEU 59 Ca 0.02 -0.42 0.07 0.00 -0.22 0.00 0.00 54.13 53.58 1xqx s LEU 59 Cb -0.13 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 1xqx s LEU 59 CO 0.01 -0.03 0.01 -0.36 -1.32 0.00 0.00 176.35 174.66 1xqx s PHE 60 N 1.47 2.87 -0.25 5.38 0.08 0.86 -1.60 117.98 126.79 1xqx s PHE 60 Ca 0.05 -0.13 -0.26 0.00 0.12 0.00 0.00 56.93 56.71 1xqx s PHE 60 Cb -0.14 -1.39 0.12 0.00 -0.57 0.00 0.00 43.02 41.04 1xqx s PHE 60 CO -0.03 0.52 1.02 1.52 -0.10 0.00 0.00 175.22 178.15 1xqx s TYR 61 N -1.75 -0.45 -0.23 0.36 1.13 -1.26 -0.10 117.35 115.06 1xqx s TYR 61 Ca 0.28 1.01 -0.25 0.00 -1.41 0.00 0.00 57.07 56.70 1xqx s TYR 61 Cb -0.09 0.39 -0.00 0.00 -1.10 0.00 0.00 41.96 41.15 1xqx s TYR 61 CO 0.19 -0.26 0.86 -0.51 -2.51 0.00 0.00 175.55 173.32 1xqx s ASP 62 N -0.13 6.89 1.09 -0.18 -0.00 -0.19 -4.48 116.67 119.67 1xqx s ASP 62 Ca 0.02 1.11 -0.13 0.00 -0.00 0.00 0.00 52.55 53.55 1xqx s ASP 62 Cb -0.04 -2.45 0.24 0.00 -0.00 0.00 0.00 42.92 40.67 1xqx s ASP 62 CO -0.04 -0.52 1.06 -1.10 -0.00 0.00 0.00 175.17 174.58 1xqx s GLN 63 N 2.77 -0.28 0.12 8.23 -0.21 -1.26 -4.30 119.66 124.73 1xqx s GLN 63 Ca 0.37 0.60 -0.35 0.00 0.02 0.00 0.00 55.36 56.00 1xqx s GLN 63 Cb -0.15 -1.65 -0.17 0.00 1.00 0.00 0.00 33.01 32.04 1xqx s GLN 63 CO 0.08 -3.23 1.14 1.97 -2.12 0.00 0.00 175.29 173.13 1xqx n PHE 64 N -4.54 1.10 -0.99 0.91 -1.74 -1.26 -0.98 117.46 109.96 1xqx n PHE 64 Ca 0.04 0.76 0.00 0.00 -0.56 0.00 0.00 57.45 57.69 1xqx n PHE 64 Cb 0.56 -2.23 0.00 0.00 1.52 0.00 0.00 39.48 39.33 1xqx n PHE 64 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1xqx n GLY 65 N 2.05 0.20 3.59 4.97 0.00 -0.40 -4.89 105.19 110.70 1xqx n GLY 65 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1xqx n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xqx n GLY 67 N 0.40 0.84 0.30 0.00 0.00 -1.22 -0.29 105.19 105.21 1xqx n GLY 67 Ca -0.12 0.71 0.07 0.00 0.00 0.00 0.00 46.02 46.68 1xqx n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xqx n ARG 68 N 0.00 1.81 -2.97 1.61 1.74 -1.26 -4.99 116.66 112.60 1xqx n ARG 68 Ca 0.00 -0.69 -0.34 0.00 -0.77 0.00 0.00 57.85 56.05 1xqx n ARG 68 Cb 0.00 -1.23 -0.06 0.00 -1.02 0.00 0.00 32.46 30.15 1xqx n ARG 68 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1xqx s SER 69 N -1.85 6.93 0.58 0.55 0.01 0.60 -4.66 113.70 115.87 1xqx s SER 69 Ca 0.12 1.52 -0.09 0.00 1.31 0.00 0.00 55.95 58.80 1xqx s SER 69 Cb 0.12 -2.47 -0.04 0.00 0.21 0.00 0.00 66.02 63.84 1xqx s SER 69 CO 0.40 -0.22 0.96 -1.83 0.41 0.00 0.00 173.24 172.95 1xqx s GLU 70 N -2.84 3.58 -0.04 12.44 -1.05 -0.86 -3.75 118.70 126.19 1xqx s GLU 70 Ca 0.55 0.59 -0.03 0.00 -0.15 0.00 0.00 54.97 55.93 1xqx s GLU 70 Cb -0.11 -2.17 -0.04 0.00 -0.44 0.00 0.00 34.13 31.37 1xqx s GLU 70 CO 0.17 -0.46 0.13 -1.83 0.95 0.00 0.00 175.26 174.22 1xqx s GLU 71 N -5.05 3.31 0.00 -4.83 -1.05 -1.26 -1.28 118.70 108.54 1xqx s GLU 71 Ca 0.53 -0.33 0.00 0.00 -0.15 0.00 0.00 54.97 55.02 1xqx s GLU 71 Cb -0.11 -3.03 0.00 0.00 -0.44 0.00 0.00 34.13 30.55 1xqx s GLU 71 CO 0.51 0.69 0.00 -0.35 0.95 0.00 0.00 175.26 177.06 1xqx n PRO 72 N 1.31 0.75 -1.92 -4.83 -0.04 -1.26 -4.87 135.00 124.15 1xqx n PRO 72 Ca -0.14 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.92 1xqx n PRO 72 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 1xqx n PRO 72 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xqx s ASP 73 N -1.00 6.16 0.60 3.54 2.15 -1.26 -4.85 116.67 122.02 1xqx s ASP 73 Ca 0.00 2.82 0.29 0.00 0.43 0.00 0.00 52.55 56.09 1xqx s ASP 73 Cb 0.00 -2.65 1.51 0.00 -0.30 0.00 0.00 42.92 41.48 1xqx s ASP 73 CO 0.00 -0.97 1.91 1.56 -0.17 0.00 0.00 175.17 177.50 1xqx h GLN 74 N 2.62 0.00 0.00 4.34 4.20 -2.01 0.17 115.11 124.43 1xqx h GLN 74 Ca -0.50 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.21 1xqx h GLN 74 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1xqx h GLN 74 CO 0.62 0.00 0.00 -1.13 -0.67 0.00 0.00 178.83 177.65 1xqx n SER 75 N -3.55 0.57 -1.59 1.46 3.41 -1.26 -1.93 113.62 110.73 1xqx n SER 75 Ca 0.06 0.68 0.08 0.00 -0.26 0.00 0.00 58.87 59.42 1xqx n SER 75 Cb 0.58 -0.79 0.36 0.00 -0.26 0.00 0.00 64.21 64.11 1xqx n SER 75 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xqx n LYS 76 N -2.17 4.25 -1.74 4.33 5.02 0.61 -4.71 118.16 123.75 1xqx n LYS 76 Ca 0.01 -3.04 -0.40 0.00 -2.02 0.00 0.00 58.31 52.86 1xqx n LYS 76 Cb 0.16 -2.10 -0.01 0.00 -0.02 0.00 0.00 35.03 33.05 1xqx n LYS 76 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xqx n PHE 77 N 0.40 2.55 -4.31 2.13 0.99 -0.81 -4.75 117.46 113.65 1xqx n PHE 77 Ca 0.26 -2.93 -0.16 0.00 -0.00 0.00 0.00 57.45 54.61 1xqx n PHE 77 Cb 1.08 -2.10 -0.10 0.00 -1.00 0.00 0.00 39.48 37.36 1xqx n PHE 77 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1xqx s THR 78 N 0.19 1.14 0.21 4.37 -4.23 -1.26 -4.87 115.64 111.19 1xqx s THR 78 Ca 0.60 -2.06 -0.04 0.00 -1.18 0.00 0.00 61.69 59.01 1xqx s THR 78 Cb 0.18 -2.19 0.03 0.00 1.34 0.00 0.00 72.50 71.86 1xqx s THR 78 CO -0.08 -0.46 1.62 0.40 -0.54 0.00 0.00 174.62 175.57 1xqx h ILE 79 N 2.56 1.27 -0.99 2.99 2.04 -1.99 -2.29 117.51 121.10 1xqx h ILE 79 Ca -0.38 -1.35 0.03 0.00 1.00 0.00 0.00 64.86 64.16 1xqx h ILE 79 Cb 1.21 1.24 -0.06 0.00 -0.74 0.00 0.00 36.82 38.47 1xqx h ILE 79 CO 0.64 0.45 0.65 0.44 0.00 0.00 0.00 178.15 180.33 1xqx h ASP 80 N 0.66 1.08 -0.27 1.72 3.45 -1.96 0.19 116.42 121.30 1xqx h ASP 80 Ca 0.09 -0.01 -0.17 0.00 0.43 0.00 0.00 57.03 57.37 1xqx h ASP 80 Cb 0.75 -0.25 -0.00 0.00 -0.56 0.00 0.00 39.33 39.27 1xqx h ASP 80 CO 0.06 0.75 -0.48 0.22 -1.57 0.00 0.00 179.24 178.21 1xqx h TYR 81 N 1.26 1.04 -0.17 4.55 3.20 -1.83 -2.21 116.97 122.81 1xqx h TYR 81 Ca 0.39 -0.35 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 1xqx h TYR 81 Cb -0.01 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 1xqx h TYR 81 CO -0.00 1.16 0.10 0.78 -1.64 0.00 0.00 178.16 178.56 1xqx h GLY 82 N 0.79 0.24 0.55 1.82 0.00 -0.59 0.18 103.07 106.06 1xqx h GLY 82 Ca 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1xqx h GLY 82 CO 0.11 0.09 -0.02 -2.08 0.00 0.00 0.00 176.54 174.64 1xqx h VAL 83 N 0.23 1.39 -0.16 4.60 2.07 -0.35 -1.66 116.25 122.37 1xqx h VAL 83 Ca 0.06 -1.18 -0.06 0.00 0.82 0.00 0.00 66.70 66.35 1xqx h VAL 83 Cb -0.00 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1xqx h VAL 83 CO -0.01 0.31 -0.15 -0.33 0.02 0.00 0.00 177.57 177.42 1xqx h GLU 84 N -0.41 0.26 -0.38 1.57 4.39 -0.79 -1.43 114.58 117.79 1xqx h GLU 84 Ca 0.00 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 1xqx h GLU 84 Cb 0.52 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1xqx h GLU 84 CO 0.01 0.41 -0.05 1.49 -1.16 0.00 0.00 179.01 179.71 1xqx h GLU 85 N 0.25 0.71 -0.11 2.33 4.81 -0.63 -1.52 114.58 120.42 1xqx h GLU 85 Ca 0.05 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1xqx h GLU 85 Cb 0.41 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1xqx h GLU 85 CO 0.02 0.84 0.07 0.00 -0.73 0.00 0.00 179.01 179.21 1xqx h ALA 86 N 0.85 0.14 -0.31 2.92 0.00 -0.64 -1.24 119.26 120.98 1xqx h ALA 86 Ca 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1xqx h ALA 86 Cb 0.55 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1xqx h ALA 86 CO 0.03 -0.36 0.13 1.49 0.00 0.00 0.00 179.25 180.54 1xqx h GLU 87 N 0.13 0.45 -0.94 0.00 4.57 -1.25 -1.16 114.58 116.39 1xqx h GLU 87 Ca 0.04 -0.08 0.09 0.00 -1.18 0.00 0.00 59.36 58.23 1xqx h GLU 87 Cb 0.01 -0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 28.45 1xqx h GLU 87 CO -0.01 0.45 0.58 0.00 -1.18 0.00 0.00 179.01 178.86 1xqx h ALA 88 N 0.98 1.34 -0.27 2.92 0.00 -1.11 -0.10 119.26 123.02 1xqx h ALA 88 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1xqx h ALA 88 Cb 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1xqx h ALA 88 CO -0.01 0.28 -0.04 1.25 0.00 0.00 0.00 179.25 180.73 1xqx h LEU 89 N 1.00 0.50 -0.36 0.00 5.85 -0.87 -2.43 115.31 119.00 1xqx h LEU 89 Ca 0.43 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1xqx h LEU 89 Cb 0.30 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1xqx h LEU 89 CO -0.21 0.73 0.17 -0.09 -0.34 0.00 0.00 178.44 178.69 1xqx h ARG 90 N 0.27 0.35 0.63 1.25 2.43 -0.54 -3.07 114.38 115.70 1xqx h ARG 90 Ca 0.07 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1xqx h ARG 90 Cb 0.49 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1xqx h ARG 90 CO 0.02 0.23 -0.43 1.03 -1.51 0.00 0.00 179.97 179.31 1xqx h SER 91 N 0.36 -1.10 0.00 -3.80 0.87 -0.98 -0.01 113.55 108.89 1xqx h SER 91 Ca 0.15 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1xqx h SER 91 Cb 0.07 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1xqx h SER 91 CO -0.12 -0.63 0.00 0.29 -0.53 0.00 0.00 176.83 175.84 1xqx n LYS 92 N -5.09 0.99 0.00 2.24 5.02 -0.92 0.53 118.16 120.93 1xqx n LYS 92 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1xqx n LYS 92 Cb 0.43 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.43 1xqx n LYS 92 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1xqx n LEU 93 N 0.76 0.00 0.00 -0.35 7.94 -1.14 -4.90 117.00 119.32 1xqx n LEU 93 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1xqx n LEU 93 Cb 0.50 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.45 1xqx n LEU 93 CO 0.00 0.00 0.02 0.49 -1.11 0.00 0.00 177.39 176.79 1xqx n PHE 94 N -0.85 0.00 0.00 1.96 3.72 -0.03 -5.09 117.46 117.17 1xqx n PHE 94 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1xqx n PHE 94 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1xqx n PHE 94 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xqx n GLY 95 N 0.68 1.35 0.06 1.37 0.00 0.19 -3.04 105.19 105.79 1xqx n GLY 95 Ca 0.00 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 45.63 1xqx n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xqx n ASN 96 N 6.87 0.64 -4.61 1.61 3.02 -1.26 -4.34 115.26 117.19 1xqx n ASN 96 Ca 0.00 0.23 -0.50 0.00 -0.03 0.00 0.00 54.58 54.28 1xqx n ASN 96 Cb 0.00 -0.14 -0.05 0.00 -0.61 0.00 0.00 39.78 38.98 1xqx n ASN 96 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1xqx n GLU 97 N -2.01 1.40 -2.74 3.52 2.13 -1.17 -4.94 120.64 116.82 1xqx n GLU 97 Ca 0.04 0.50 -0.36 0.00 0.66 0.00 0.00 57.16 58.01 1xqx n GLU 97 Cb 0.41 -2.16 -0.06 0.00 0.27 0.00 0.00 31.44 29.90 1xqx n GLU 97 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1xqx s LYS 98 N 0.48 4.40 0.09 5.31 -0.14 -1.26 -4.98 119.74 123.64 1xqx s LYS 98 Ca 0.82 1.32 -0.00 0.00 -1.36 0.00 0.00 55.97 56.74 1xqx s LYS 98 Cb -0.88 -2.58 -0.04 0.00 -1.68 0.00 0.00 37.83 32.65 1xqx s LYS 98 CO 0.45 0.10 -0.01 0.08 -0.76 0.00 0.00 175.35 175.22 1xqx s VAL 99 N -1.77 0.29 0.00 3.17 1.01 -0.68 -4.83 120.40 117.59 1xqx s VAL 99 Ca 0.55 -1.87 -0.22 0.00 0.00 0.00 0.00 61.98 60.44 1xqx s VAL 99 Cb -0.17 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 1xqx s VAL 99 CO 0.22 -0.77 0.63 -0.36 0.00 0.00 0.00 175.10 174.82 1xqx s PHE 100 N -3.90 3.69 -0.17 5.22 0.08 -0.89 -2.02 117.98 119.99 1xqx s PHE 100 Ca 0.14 1.26 -0.02 0.00 0.12 0.00 0.00 56.93 58.44 1xqx s PHE 100 Cb 0.07 -2.66 -0.01 0.00 -0.57 0.00 0.00 43.02 39.86 1xqx s PHE 100 CO -0.04 0.33 -0.10 -1.17 -0.10 0.00 0.00 175.22 174.13 1xqx s LEU 101 N -0.14 2.72 -0.13 -0.37 0.20 -0.59 -0.16 118.68 120.22 1xqx s LEU 101 Ca 0.33 -0.39 0.01 0.00 0.69 0.00 0.00 54.13 54.76 1xqx s LEU 101 Cb -0.19 -1.65 -0.01 0.00 -0.43 0.00 0.00 46.19 43.92 1xqx s LEU 101 CO 0.18 0.07 -0.16 -0.32 -0.29 0.00 0.00 176.35 175.83 1xqx s MET 102 N 0.94 3.28 -0.03 1.98 -2.45 0.39 -0.55 119.30 122.87 1xqx s MET 102 Ca -0.02 -0.74 0.06 0.00 -1.25 0.00 0.00 55.69 53.74 1xqx s MET 102 Cb -0.15 -2.55 -0.01 0.00 1.25 0.00 0.00 34.83 33.37 1xqx s MET 102 CO -0.01 0.18 -0.21 0.20 1.05 0.00 0.00 175.02 176.24 1xqx s GLY 103 N 0.41 1.04 -0.16 2.11 0.00 0.56 -0.23 107.32 111.05 1xqx s GLY 103 Ca -0.12 -0.88 -0.02 0.00 0.00 0.00 0.00 44.72 43.70 1xqx s GLY 103 CO 0.06 -0.64 -0.09 -0.45 0.00 0.00 0.00 173.10 171.98 1xqx s SER 104 N -0.31 4.20 1.43 1.64 0.15 -0.53 -1.31 113.70 118.96 1xqx s SER 104 Ca 0.03 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.36 1xqx s SER 104 Cb -0.10 -1.67 0.00 0.00 -1.71 0.00 0.00 66.02 62.54 1xqx s SER 104 CO 0.01 0.11 0.00 0.00 1.20 0.00 0.00 173.24 174.56 1xqx n ALA 105 N 3.91 0.00 -0.24 5.45 0.00 -0.51 0.65 120.51 129.77 1xqx n ALA 105 Ca -0.18 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.32 1xqx n ALA 105 Cb 0.52 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.29 1xqx n ALA 105 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1xqx h TYR 106 N 0.00 0.87 -0.95 0.00 5.03 -1.84 0.26 116.97 120.33 1xqx h TYR 106 Ca 0.00 0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.41 1xqx h TYR 106 Cb 0.00 -0.28 -0.07 0.00 1.55 0.00 0.00 36.73 37.93 1xqx h TYR 106 CO 0.00 0.44 0.60 0.78 -1.32 0.00 0.00 178.16 178.66 1xqx h GLY 107 N 0.84 1.47 0.98 1.82 0.00 0.37 0.22 103.07 108.77 1xqx h GLY 107 Ca 0.36 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 1xqx h GLY 107 CO -0.13 0.27 0.22 -1.33 0.00 0.00 0.00 176.54 175.57 1xqx h GLY 108 N 1.06 0.54 0.72 4.60 0.00 -0.44 0.49 103.07 110.04 1xqx h GLY 108 Ca 0.43 -0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.57 1xqx h GLY 108 CO -0.20 0.21 0.01 0.00 0.00 0.00 0.00 176.54 176.57 1xqx h ALA 109 N 1.10 0.19 -0.20 3.60 0.00 -0.22 -0.51 119.26 123.21 1xqx h ALA 109 Ca 0.13 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1xqx h ALA 109 Cb -0.00 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1xqx h ALA 109 CO -0.03 -0.42 0.02 1.25 0.00 0.00 0.00 179.25 180.08 1xqx h LEU 110 N 0.09 -0.03 -0.81 0.00 5.85 -0.23 -1.26 115.31 118.91 1xqx h LEU 110 Ca 0.09 0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.97 1xqx h LEU 110 Cb 0.11 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.11 1xqx h LEU 110 CO -0.15 0.01 0.42 0.00 -0.34 0.00 0.00 178.44 178.39 1xqx h ALA 111 N 1.16 1.19 -0.42 1.25 0.00 0.49 0.15 119.26 123.08 1xqx h ALA 111 Ca 0.09 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1xqx h ALA 111 Cb 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1xqx h ALA 111 CO -0.14 -0.04 0.13 -0.07 0.00 0.00 0.00 179.25 179.13 1xqx h LEU 112 N 0.65 0.60 -1.33 0.00 3.38 -0.43 0.14 115.31 118.32 1xqx h LEU 112 Ca 0.42 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 1xqx h LEU 112 Cb 0.53 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1xqx h LEU 112 CO -0.32 0.65 -0.02 0.00 0.09 0.00 0.00 178.44 178.83 1xqx h ALA 113 N 0.98 1.46 0.27 1.53 0.00 -0.36 -0.62 119.26 122.52 1xqx h ALA 113 Ca 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xqx h ALA 113 Cb 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1xqx h ALA 113 CO -0.00 0.39 -0.13 -0.92 0.00 0.00 0.00 179.25 178.58 1xqx h TYR 114 N 0.40 -0.34 -0.67 0.00 3.20 -0.31 -3.21 116.97 116.05 1xqx h TYR 114 Ca 0.09 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.02 1xqx h TYR 114 Cb 0.31 0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.63 1xqx h TYR 114 CO 0.01 0.00 0.34 0.00 -1.64 0.00 0.00 178.16 176.87 1xqx h ALA 115 N -0.17 0.90 -0.99 1.82 0.00 -0.39 0.63 119.26 121.05 1xqx h ALA 115 Ca -0.04 0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.13 1xqx h ALA 115 Cb 0.50 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.12 1xqx h ALA 115 CO 0.06 -0.03 0.62 0.28 0.00 0.00 0.00 179.25 180.19 1xqx h VAL 116 N 0.61 0.64 0.00 0.00 2.07 -1.15 -0.51 116.25 117.91 1xqx h VAL 116 Ca 0.31 -0.20 -0.38 0.00 0.82 0.00 0.00 66.70 67.25 1xqx h VAL 116 Cb 0.28 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.98 1xqx h VAL 116 CO -0.23 0.11 -2.44 1.17 0.02 0.00 0.00 177.57 176.20 1xqx n LYS 117 N -4.69 0.66 -2.31 1.57 4.81 -0.65 -4.70 118.16 112.84 1xqx n LYS 117 Ca 0.23 0.13 -0.23 0.00 -0.87 0.00 0.00 58.31 57.57 1xqx n LYS 117 Cb 0.69 -1.53 0.01 0.00 0.02 0.00 0.00 35.03 34.23 1xqx n LYS 117 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1xqx n TYR 118 N -3.18 2.86 0.31 5.64 4.01 0.21 -4.79 117.16 122.23 1xqx n TYR 118 Ca -0.43 -2.65 0.16 0.00 -0.16 0.00 0.00 57.90 54.82 1xqx n TYR 118 Cb 1.02 -0.22 0.64 0.00 -0.31 0.00 0.00 39.34 40.47 1xqx n TYR 118 CO 0.00 0.00 0.00 -0.56 -0.46 0.00 0.00 176.86 175.84 1xqx h GLN 119 N 2.43 0.00 0.00 -0.72 3.07 -1.24 -2.62 115.11 116.04 1xqx h GLN 119 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.02 1xqx h GLN 119 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.79 1xqx h GLN 119 CO 0.75 0.00 0.00 -0.40 0.09 0.00 0.00 178.83 179.27 1xqx n ASP 120 N -2.84 0.00 -1.09 0.06 5.68 -1.26 -1.85 116.55 115.25 1xqx n ASP 120 Ca 0.01 0.30 0.10 0.00 -0.50 0.00 0.00 54.79 54.71 1xqx n ASP 120 Cb 0.28 -0.41 0.23 0.00 -1.14 0.00 0.00 41.12 40.08 1xqx n ASP 120 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1xqx n HIS 121 N -1.41 0.64 -4.33 2.11 8.25 -0.99 -4.97 115.22 114.51 1xqx n HIS 121 Ca 0.06 -0.37 -0.22 0.00 -0.26 0.00 0.00 57.72 56.93 1xqx n HIS 121 Cb 0.19 -0.01 -0.11 0.00 1.12 0.00 0.00 29.99 31.18 1xqx n HIS 121 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xqx s LEU 122 N -1.19 2.42 -0.01 2.41 1.43 -0.77 -1.69 118.68 121.28 1xqx s LEU 122 Ca 0.38 -0.84 0.14 0.00 -1.03 0.00 0.00 54.13 52.78 1xqx s LEU 122 Cb 0.21 -0.85 -0.19 0.00 0.03 0.00 0.00 46.19 45.38 1xqx s LEU 122 CO 0.28 -0.01 0.38 0.29 0.23 0.00 0.00 176.35 177.52 1xqx n LYS 123 N 0.40 1.09 -3.60 1.70 5.02 -0.86 -4.81 118.16 117.11 1xqx n LYS 123 Ca -0.14 -0.09 -0.06 0.00 -2.02 0.00 0.00 58.31 56.00 1xqx n LYS 123 Cb 0.56 -1.26 -0.04 0.00 -0.02 0.00 0.00 35.03 34.28 1xqx n LYS 123 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1xqx s GLY 124 N -3.17 -0.19 -0.05 0.72 0.00 -1.26 -4.22 107.32 99.15 1xqx s GLY 124 Ca -0.02 2.04 0.04 0.00 0.00 0.00 0.00 44.72 46.78 1xqx s GLY 124 CO 0.56 0.83 -0.17 -2.27 0.00 0.00 0.00 173.10 172.05 1xqx s LEU 125 N -1.54 1.89 -0.12 0.66 2.96 0.16 -1.54 118.68 121.14 1xqx s LEU 125 Ca 0.05 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.62 1xqx s LEU 125 Cb -0.01 -1.00 0.01 0.00 0.50 0.00 0.00 46.19 45.69 1xqx s LEU 125 CO -0.04 0.14 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.31 1xqx s ILE 126 N 0.17 1.74 -0.16 6.68 1.01 0.29 -0.47 121.20 130.46 1xqx s ILE 126 Ca -0.07 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.81 1xqx s ILE 126 Cb -0.13 -1.56 0.02 0.00 0.01 0.00 0.00 42.46 40.80 1xqx s ILE 126 CO 0.03 0.49 -0.19 -0.69 0.00 0.00 0.00 174.94 174.58 1xqx s VAL 127 N 0.92 1.95 -0.21 2.92 1.01 0.00 -0.32 120.40 126.67 1xqx s VAL 127 Ca -0.07 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.05 1xqx s VAL 127 Cb -0.15 -1.76 0.03 0.00 0.00 0.00 0.00 36.38 34.51 1xqx s VAL 127 CO -0.02 0.52 -0.16 -0.44 0.00 0.00 0.00 175.10 175.00 1xqx s SER 128 N 1.20 3.59 -1.91 3.32 0.01 -0.43 -0.45 113.70 119.04 1xqx s SER 128 Ca 0.02 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.36 1xqx s SER 128 Cb -0.14 -1.49 0.00 0.00 0.21 0.00 0.00 66.02 64.60 1xqx s SER 128 CO -0.09 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.09 1xqx n GLY 129 N 4.56 0.76 1.29 3.44 0.00 -0.33 -1.43 105.19 113.47 1xqx n GLY 129 Ca -0.18 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 1xqx n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xqx n GLY 130 N -0.77 -0.84 3.52 -0.02 0.00 -1.26 -3.40 105.19 102.42 1xqx n GLY 130 Ca -0.22 -1.75 -0.16 0.00 0.00 0.00 0.00 46.02 43.90 1xqx n GLY 130 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1xqx s LEU 131 N 0.00 -0.60 0.00 0.99 0.05 -1.26 -4.55 118.68 113.31 1xqx s LEU 131 Ca 0.24 0.57 0.12 0.00 0.05 0.00 0.00 54.13 55.11 1xqx s LEU 131 Cb -0.01 2.44 -0.02 0.00 -2.05 0.00 0.00 46.19 46.55 1xqx s LEU 131 CO 0.17 -0.62 0.67 -1.54 -0.55 0.00 0.00 176.35 174.48 1xqx n SER 132 N 0.69 1.23 -3.63 1.48 3.41 -1.26 -3.75 113.62 111.79 1xqx n SER 132 Ca -0.17 -1.11 -0.12 0.00 -0.26 0.00 0.00 58.87 57.20 1xqx n SER 132 Cb 0.58 0.54 -0.12 0.00 -0.26 0.00 0.00 64.21 64.96 1xqx n SER 132 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1xqx s SER 133 N -1.60 0.22 0.10 4.04 0.15 -1.26 -0.63 113.70 114.72 1xqx s SER 133 Ca 0.09 0.64 -0.16 0.00 0.70 0.00 0.00 55.95 57.22 1xqx s SER 133 Cb 0.09 0.90 -0.06 0.00 -1.71 0.00 0.00 66.02 65.24 1xqx s SER 133 CO 0.32 -0.25 1.49 0.58 1.20 0.00 0.00 173.24 176.58 1xqx h VAL 134 N 6.25 1.29 -0.52 4.45 2.07 -1.50 -2.47 116.25 125.81 1xqx h VAL 134 Ca -0.15 -1.19 0.08 0.00 0.82 0.00 0.00 66.70 66.26 1xqx h VAL 134 Cb 1.12 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 32.22 1xqx h VAL 134 CO 0.15 0.38 0.16 -0.65 0.02 0.00 0.00 177.57 177.63 1xqx h PRO 135 N 0.40 0.32 -0.58 1.57 0.11 -1.74 0.35 132.00 132.43 1xqx h PRO 135 Ca 0.08 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 1xqx h PRO 135 Cb 0.62 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.63 1xqx h PRO 135 CO 0.04 0.21 0.28 1.25 -0.21 0.00 0.00 178.00 179.57 1xqx h LEU 136 N 0.33 0.73 -0.53 2.35 5.85 -1.92 -0.25 115.31 121.87 1xqx h LEU 136 Ca 0.26 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 1xqx h LEU 136 Cb 0.31 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1xqx h LEU 136 CO -0.28 0.62 0.08 0.74 -0.34 0.00 0.00 178.44 179.26 1xqx h THR 137 N 0.82 1.25 -0.07 1.05 2.02 -0.56 -1.58 112.91 115.83 1xqx h THR 137 Ca 0.20 -0.96 0.01 0.00 0.77 0.00 0.00 66.41 66.43 1xqx h THR 137 Cb 0.08 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1xqx h THR 137 CO -0.03 0.35 0.02 0.58 0.37 0.00 0.00 175.52 176.81 1xqx h VAL 138 N 0.76 0.98 -0.17 3.16 2.07 0.61 -1.23 116.25 122.44 1xqx h VAL 138 Ca 0.16 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.71 1xqx h VAL 138 Cb 0.41 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 1xqx h VAL 138 CO 0.01 0.01 -0.14 0.50 0.02 0.00 0.00 177.57 177.97 1xqx h LYS 139 N 0.06 -0.15 -0.79 1.57 3.11 -0.92 -0.62 116.57 118.83 1xqx h LYS 139 Ca 0.03 0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.85 1xqx h LYS 139 Cb 0.02 0.03 -0.04 0.00 -1.00 0.00 0.00 32.23 31.25 1xqx h LYS 139 CO -0.04 -0.10 0.38 0.93 -2.81 0.00 0.00 179.45 177.81 1xqx h GLU 140 N -0.16 1.12 -0.40 1.90 4.39 -1.14 -2.49 114.58 117.80 1xqx h GLU 140 Ca 0.11 -0.16 -0.11 0.00 0.34 0.00 0.00 59.36 59.54 1xqx h GLU 140 Cb 0.32 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1xqx h GLU 140 CO -0.26 0.86 -0.20 0.52 -1.16 0.00 0.00 179.01 178.76 1xqx h MET 141 N 1.12 0.79 -0.54 2.33 2.86 -0.75 -1.89 114.93 118.85 1xqx h MET 141 Ca 0.27 -0.31 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1xqx h MET 141 Cb 0.10 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 1xqx h MET 141 CO -0.04 0.93 0.30 -0.91 1.06 0.00 0.00 176.91 178.25 1xqx h ASN 142 N 0.69 0.65 -0.36 1.22 -0.26 -0.81 0.88 115.58 117.59 1xqx h ASN 142 Ca 0.10 -0.04 -0.04 0.00 -0.56 0.00 0.00 56.30 55.76 1xqx h ASN 142 Cb 0.71 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.79 1xqx h ASN 142 CO 0.05 0.52 0.07 -0.09 -1.06 0.00 0.00 177.43 176.93 1xqx h ARG 143 N 0.75 0.59 -0.85 0.81 2.43 -0.98 -0.85 114.38 116.27 1xqx h ARG 143 Ca 0.19 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1xqx h ARG 143 Cb 0.01 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.44 1xqx h ARG 143 CO -0.03 0.65 0.56 -0.07 -1.51 0.00 0.00 179.97 179.56 1xqx h LEU 144 N 0.43 0.94 -1.06 3.80 3.38 -0.53 -1.45 115.31 120.83 1xqx h LEU 144 Ca 0.11 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1xqx h LEU 144 Cb 0.34 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1xqx h LEU 144 CO 0.01 0.66 0.15 0.40 0.09 0.00 0.00 178.44 179.75 1xqx h ILE 145 N 1.11 1.22 0.00 1.22 2.04 -0.51 -2.03 117.51 120.56 1xqx h ILE 145 Ca 0.33 -0.77 -0.06 0.00 1.00 0.00 0.00 64.86 65.36 1xqx h ILE 145 Cb -0.05 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1xqx h ILE 145 CO -0.10 0.29 -0.27 0.44 0.00 0.00 0.00 178.15 178.52 1xqx h ASP 146 N 0.81 0.00 0.71 1.72 3.32 -0.15 -2.33 116.42 120.50 1xqx h ASP 146 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1xqx h ASP 146 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1xqx h ASP 146 CO -0.01 0.27 0.00 -0.62 -1.72 0.00 0.00 179.24 177.16 1xqx n GLU 147 N -3.97 0.24 -2.03 3.56 1.02 -0.75 -4.85 120.64 113.87 1xqx n GLU 147 Ca -0.02 0.02 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 1xqx n GLU 147 Cb 0.34 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 1xqx n GLU 147 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1xqx s LEU 148 N -2.74 3.42 0.34 -4.62 1.02 -0.88 -4.98 118.68 110.24 1xqx s LEU 148 Ca 0.22 1.64 -0.29 0.00 0.02 0.00 0.00 54.13 55.72 1xqx s LEU 148 Cb 0.19 -4.51 -0.11 0.00 0.02 0.00 0.00 46.19 41.78 1xqx s LEU 148 CO 0.47 -1.00 1.49 -0.81 0.02 0.00 0.00 176.35 176.52 1xqx n PRO 149 N -2.23 2.60 -0.28 1.29 -0.04 -1.26 -4.61 135.00 130.48 1xqx n PRO 149 Ca 0.07 0.92 0.12 0.00 -0.04 0.00 0.00 63.50 64.57 1xqx n PRO 149 Cb 0.54 -2.64 0.24 0.00 -0.04 0.00 0.00 33.50 31.60 1xqx n PRO 149 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xqx n ALA 150 N 0.96 0.42 0.04 0.55 0.00 -1.26 -1.35 120.51 119.88 1xqx n ALA 150 Ca 0.04 0.86 -0.11 0.00 0.00 0.00 0.00 53.44 54.23 1xqx n ALA 150 Cb 0.38 -0.64 -0.05 0.00 0.00 0.00 0.00 19.45 19.14 1xqx n ALA 150 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1xqx h LYS 151 N 0.00 -0.42 -0.16 0.00 3.64 -1.99 0.33 116.57 117.97 1xqx h LYS 151 Ca 0.49 0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.73 1xqx h LYS 151 Cb 1.03 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1xqx h LYS 151 CO -0.75 -0.28 -0.60 1.88 -2.27 0.00 0.00 179.45 177.43 1xqx h TYR 152 N -0.44 0.67 -0.07 1.91 0.99 -1.60 -2.06 116.97 116.37 1xqx h TYR 152 Ca 0.07 -0.25 -0.06 0.00 2.00 0.00 0.00 58.73 60.48 1xqx h TYR 152 Cb 0.54 -0.12 -0.01 0.00 1.00 0.00 0.00 36.73 38.14 1xqx h TYR 152 CO -0.35 0.99 -0.25 -0.09 -0.00 0.00 0.00 178.16 178.46 1xqx h ARG 153 N 0.39 0.12 0.00 4.88 2.43 -0.87 -2.49 114.38 118.84 1xqx h ARG 153 Ca -0.00 -0.04 -0.25 0.00 -0.81 0.00 0.00 59.98 58.88 1xqx h ARG 153 Cb 1.15 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.65 1xqx h ARG 153 CO 0.11 0.37 -1.30 -0.44 -1.51 0.00 0.00 179.97 177.20 1xqx h ASP 154 N 0.11 0.02 0.54 -3.80 3.32 -0.20 -3.20 116.42 113.20 1xqx h ASP 154 Ca 0.02 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 1xqx h ASP 154 Cb 0.51 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1xqx h ASP 154 CO 0.04 1.02 -0.45 0.00 -1.72 0.00 0.00 179.24 178.13 1xqx h ALA 155 N 0.98 1.17 -0.09 3.45 0.00 -1.18 0.19 119.26 123.79 1xqx h ALA 155 Ca -0.13 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1xqx h ALA 155 Cb 1.88 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 1xqx h ALA 155 CO 0.11 0.56 -0.12 0.82 0.00 0.00 0.00 179.25 180.62 1xqx h ILE 156 N 0.00 1.38 -0.14 0.00 1.08 -1.51 -0.87 117.51 117.45 1xqx h ILE 156 Ca -0.00 -1.34 -0.22 0.00 -0.39 0.00 0.00 64.86 62.90 1xqx h ILE 156 Cb 0.83 2.07 0.01 0.00 -3.07 0.00 0.00 36.82 36.66 1xqx h ILE 156 CO 0.06 0.38 -0.79 0.07 -0.69 0.00 0.00 178.15 177.17 1xqx h LYS 157 N -0.21 0.77 0.30 2.37 2.10 -1.54 0.83 116.57 121.20 1xqx h LYS 157 Ca 0.01 -0.64 -0.01 0.00 -2.00 0.00 0.00 60.65 58.01 1xqx h LYS 157 Cb 0.66 0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.13 1xqx h LYS 157 CO 0.03 1.24 -0.14 -0.22 -2.00 0.00 0.00 179.45 178.36 1xqx h LYS 158 N 0.52 -0.39 0.00 0.07 3.64 -0.67 -2.34 116.57 117.40 1xqx h LYS 158 Ca -0.06 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 1xqx h LYS 158 Cb 1.42 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.32 1xqx h LYS 158 CO 0.16 -0.26 -0.28 1.88 -2.27 0.00 0.00 179.45 178.68 1xqx h TYR 159 N -0.49 0.00 -0.03 1.91 -1.99 -1.30 -3.16 116.97 111.92 1xqx h TYR 159 Ca -0.04 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.56 1xqx h TYR 159 Cb 0.31 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.02 1xqx h TYR 159 CO 0.11 0.28 -0.60 0.78 -0.00 0.00 0.00 178.16 178.73 1xqx h GLY 160 N 2.95 0.10 2.00 3.88 0.00 -0.88 0.30 103.07 111.42 1xqx h GLY 160 Ca -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 1xqx h GLY 160 CO 0.04 0.11 -0.08 1.76 0.00 0.00 0.00 176.54 178.36 1xqx h SER 161 N 0.07 0.00 -0.10 0.19 0.02 -1.38 -3.06 113.55 109.28 1xqx h SER 161 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1xqx h SER 161 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1xqx h SER 161 CO 0.08 0.08 0.00 -1.54 -1.14 0.00 0.00 176.83 174.31 1xqx n SER 162 N -3.15 2.87 -0.82 3.07 3.41 -1.16 -4.96 113.62 112.88 1xqx n SER 162 Ca 0.02 -1.89 -0.09 0.00 -0.26 0.00 0.00 58.87 56.65 1xqx n SER 162 Cb 0.47 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.34 1xqx n SER 162 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xqx n GLY 163 N 1.21 0.67 2.47 5.00 0.00 -0.91 -4.92 105.19 108.71 1xqx n GLY 163 Ca 0.13 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 1xqx n GLY 163 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xqx n SER 164 N 0.43 8.09 0.15 1.61 7.64 0.10 -4.65 113.62 127.00 1xqx n SER 164 Ca -0.10 -3.11 0.12 0.00 1.01 0.00 0.00 58.87 56.79 1xqx n SER 164 Cb 0.41 -1.37 0.53 0.00 -1.01 0.00 0.00 64.21 62.77 1xqx n SER 164 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1xqx h TYR 165 N 4.61 0.00 0.00 1.43 -1.99 -1.92 -2.08 116.97 117.02 1xqx h TYR 165 Ca 0.71 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.44 1xqx h TYR 165 Cb 0.30 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.03 1xqx h TYR 165 CO 1.62 0.00 -0.47 -0.85 -0.00 0.00 0.00 178.16 178.46 1xqx n GLU 166 N -2.34 0.29 -1.61 4.88 0.00 -1.26 -4.47 120.64 116.12 1xqx n GLU 166 Ca 0.01 0.12 -0.46 0.00 0.00 0.00 0.00 57.16 56.84 1xqx n GLU 166 Cb 0.21 -1.72 -0.03 0.00 0.00 0.00 0.00 31.44 29.91 1xqx n GLU 166 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1xqx n ASN 167 N -2.16 1.76 -0.00 -1.84 5.15 -0.78 -4.82 115.26 112.56 1xqx n ASN 167 Ca 0.04 1.16 0.02 0.00 -0.60 0.00 0.00 54.58 55.19 1xqx n ASN 167 Cb 0.44 -1.31 0.36 0.00 -0.53 0.00 0.00 39.78 38.74 1xqx n ASN 167 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1xqx h PRO 168 N 3.05 0.53 -0.05 1.20 0.13 -1.91 -1.13 132.00 133.83 1xqx h PRO 168 Ca -0.43 -0.07 -0.19 0.00 -0.87 0.00 0.00 66.00 64.44 1xqx h PRO 168 Cb 1.32 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1xqx h PRO 168 CO 0.68 0.46 -0.79 0.93 -0.23 0.00 0.00 178.00 179.04 1xqx h GLU 169 N 0.53 0.37 -0.01 0.86 5.08 -1.96 -2.58 114.58 116.87 1xqx h GLU 169 Ca 0.13 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1xqx h GLU 169 Cb 0.14 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1xqx h GLU 169 CO -0.01 0.99 -0.00 -0.92 -1.00 0.00 0.00 179.01 178.07 1xqx h TYR 170 N 0.23 0.01 -0.03 4.33 3.20 -1.74 -2.21 116.97 120.76 1xqx h TYR 170 Ca -0.04 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.83 1xqx h TYR 170 Cb 1.39 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.65 1xqx h TYR 170 CO 0.04 0.41 0.03 0.37 -1.64 0.00 0.00 178.16 177.38 1xqx h GLN 171 N -0.39 0.00 -0.05 1.82 5.75 -1.26 0.13 115.11 121.11 1xqx h GLN 171 Ca 0.00 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.30 1xqx h GLN 171 Cb 0.41 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.96 1xqx h GLN 171 CO 0.00 0.00 -0.82 1.49 -2.65 0.00 0.00 178.83 176.85 1xqx h GLU 172 N 0.00 0.44 -0.20 1.69 4.81 -1.21 -2.10 114.58 118.01 1xqx h GLU 172 Ca 0.02 -0.40 -0.14 0.00 -0.13 0.00 0.00 59.36 58.70 1xqx h GLU 172 Cb 0.08 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1xqx h GLU 172 CO -0.00 1.05 -0.48 0.00 -0.73 0.00 0.00 179.01 178.85 1xqx h ALA 173 N 0.82 0.79 -0.14 2.92 0.00 -0.18 -2.30 119.26 121.17 1xqx h ALA 173 Ca -0.05 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1xqx h ALA 173 Cb 1.43 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1xqx h ALA 173 CO 0.14 0.67 0.04 0.28 0.00 0.00 0.00 179.25 180.38 1xqx h VAL 174 N 0.42 1.20 -0.88 0.00 2.07 -1.02 -1.63 116.25 116.41 1xqx h VAL 174 Ca 0.02 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 1xqx h VAL 174 Cb 0.99 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 1xqx h VAL 174 CO 0.09 0.18 0.48 0.78 0.02 0.00 0.00 177.57 179.12 1xqx h ASN 175 N 0.04 1.10 0.24 0.57 -0.26 -1.34 -0.16 115.58 115.76 1xqx h ASN 175 Ca 0.05 -0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 55.67 1xqx h ASN 175 Cb 0.25 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 37.23 1xqx h ASN 175 CO 0.00 0.89 -0.12 0.22 -1.06 0.00 0.00 177.43 177.36 1xqx h TYR 176 N 1.23 -0.30 -0.69 1.19 3.20 -1.26 -0.57 116.97 119.76 1xqx h TYR 176 Ca 0.31 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.26 1xqx h TYR 176 Cb 0.04 0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.34 1xqx h TYR 176 CO 0.01 -0.18 0.35 0.35 -1.64 0.00 0.00 178.16 177.05 1xqx h PHE 177 N -0.33 0.63 -0.33 -3.82 3.04 -1.03 -1.97 116.94 113.12 1xqx h PHE 177 Ca -0.03 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 1xqx h PHE 177 Cb 0.26 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.57 1xqx h PHE 177 CO -0.06 0.24 0.13 1.88 -2.02 0.00 0.00 178.31 178.48 1xqx h TYR 178 N 0.60 0.51 0.00 0.41 -1.99 -0.71 0.48 116.97 116.28 1xqx h TYR 178 Ca 0.34 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 61.03 1xqx h TYR 178 Cb 0.33 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 38.91 1xqx h TYR 178 CO -0.11 0.48 0.00 0.72 -0.00 0.00 0.00 178.16 179.26 1xqx n HIS 179 N -4.70 0.00 -0.07 4.88 8.25 -0.25 0.14 115.22 123.47 1xqx n HIS 179 Ca -0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.37 1xqx n HIS 179 Cb 0.14 -0.33 -0.08 0.00 1.12 0.00 0.00 29.99 30.84 1xqx n HIS 179 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1xqx n GLN 180 N -1.33 1.22 0.00 -0.41 -0.06 -0.74 -3.96 117.38 112.10 1xqx n GLN 180 Ca 0.05 0.04 0.00 0.00 -2.00 0.00 0.00 57.00 55.10 1xqx n GLN 180 Cb 0.11 -1.30 0.00 0.00 -4.06 0.00 0.00 30.24 24.99 1xqx n GLN 180 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 1xqx n HIS 181 N -2.69 0.00 -0.10 3.69 8.25 0.16 -4.77 115.22 119.77 1xqx n HIS 181 Ca -0.23 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.06 1xqx n HIS 181 Cb 0.83 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.88 1xqx n HIS 181 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1xqx n LEU 182 N -0.50 1.74 -3.44 2.41 7.94 0.12 -1.39 117.00 123.88 1xqx n LEU 182 Ca 0.00 0.29 -0.11 0.00 -1.11 0.00 0.00 56.01 55.08 1xqx n LEU 182 Cb 0.02 -0.69 -0.10 0.00 0.53 0.00 0.00 43.42 43.19 1xqx n LEU 182 CO 0.00 0.11 -0.08 -0.22 -1.11 0.00 0.00 177.39 176.08 1xqx s LEU 183 N -7.51 -0.49 -1.20 -1.96 0.20 0.10 -1.24 118.68 106.58 1xqx s LEU 183 Ca -0.29 0.24 -0.08 0.00 0.69 0.00 0.00 54.13 54.70 1xqx s LEU 183 Cb 0.08 0.95 -0.04 0.00 -0.43 0.00 0.00 46.19 46.75 1xqx s LEU 183 CO 0.39 -0.29 2.88 0.54 -0.29 0.00 0.00 176.35 179.58 1xqx n ARG 184 N 5.36 3.60 -3.87 1.98 1.74 -1.25 -4.05 116.66 120.17 1xqx n ARG 184 Ca -0.05 -2.40 -0.11 0.00 -0.77 0.00 0.00 57.85 54.53 1xqx n ARG 184 Cb 0.50 -2.58 -0.10 0.00 -1.02 0.00 0.00 32.46 29.27 1xqx n ARG 184 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1xqx s SER 185 N 1.47 0.04 -0.04 0.55 0.15 -1.26 -5.05 113.70 109.57 1xqx s SER 185 Ca 0.64 -0.27 0.08 0.00 0.70 0.00 0.00 55.95 57.10 1xqx s SER 185 Cb 0.22 0.22 -0.24 0.00 -1.71 0.00 0.00 66.02 64.51 1xqx s SER 185 CO -0.08 -0.42 0.69 1.05 1.20 0.00 0.00 173.24 175.68 1xqx h GLU 186 N 4.07 0.07 -3.51 5.44 -0.00 -1.96 -3.41 114.58 115.27 1xqx h GLU 186 Ca -0.31 -0.11 -0.76 0.00 -0.00 0.00 0.00 59.36 58.18 1xqx h GLU 186 Cb 1.19 0.04 -0.31 0.00 -0.00 0.00 0.00 28.75 29.67 1xqx h GLU 186 CO 0.43 0.71 0.15 0.34 -0.00 0.00 0.00 179.01 180.63 1xqx s ASP 187 N -6.38 6.61 0.31 3.06 3.68 -1.26 -5.06 116.67 117.64 1xqx s ASP 187 Ca -0.07 -3.46 -0.29 0.00 2.13 0.00 0.00 52.55 50.86 1xqx s ASP 187 Cb 0.08 -2.08 -0.10 0.00 -1.45 0.00 0.00 42.92 39.37 1xqx s ASP 187 CO 0.82 -0.30 1.28 0.26 0.13 0.00 0.00 175.17 177.36 1xqx s TRP 188 N -1.01 3.15 0.52 -5.34 0.52 -1.26 -5.01 118.94 110.52 1xqx s TRP 188 Ca 0.27 1.43 -0.20 0.00 0.02 0.00 0.00 56.10 57.62 1xqx s TRP 188 Cb -0.10 -3.61 -0.07 0.00 -1.15 0.00 0.00 33.47 28.54 1xqx s TRP 188 CO -0.09 -1.67 1.11 -1.25 0.02 0.00 0.00 176.95 175.07 1xqx s PRO 189 N -1.55 3.52 0.37 4.98 0.04 -1.26 -4.91 135.00 136.19 1xqx s PRO 189 Ca 0.49 1.58 0.10 0.00 0.04 0.00 0.00 61.00 63.21 1xqx s PRO 189 Cb -0.38 -2.08 0.85 0.00 0.04 0.00 0.00 34.50 32.92 1xqx s PRO 189 CO 0.49 -0.71 1.89 -1.35 0.04 0.00 0.00 177.00 177.36 1xqx h PRO 190 N 1.41 0.63 -0.35 0.56 0.11 -1.99 -2.14 132.00 130.23 1xqx h PRO 190 Ca -0.50 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.58 1xqx h PRO 190 Cb 1.25 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1xqx h PRO 190 CO 0.58 0.42 0.22 0.93 -0.21 0.00 0.00 178.00 179.93 1xqx h GLU 191 N 0.65 0.43 0.07 1.05 3.07 -1.92 0.92 114.58 118.85 1xqx h GLU 191 Ca 0.42 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.25 1xqx h GLU 191 Cb 0.69 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1xqx h GLU 191 CO -0.18 0.29 -0.04 0.28 -1.40 0.00 0.00 179.01 177.96 1xqx h VAL 192 N 0.44 1.03 -0.64 3.13 2.07 -1.66 -2.62 116.25 118.01 1xqx h VAL 192 Ca 0.14 -0.36 0.11 0.00 0.82 0.00 0.00 66.70 67.40 1xqx h VAL 192 Cb -0.02 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1xqx h VAL 192 CO -0.05 0.09 0.43 -0.07 0.02 0.00 0.00 177.57 177.99 1xqx h LEU 193 N -0.26 0.40 -0.80 2.57 3.38 -1.24 -0.42 115.31 118.94 1xqx h LEU 193 Ca -0.01 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1xqx h LEU 193 Cb 0.22 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1xqx h LEU 193 CO 0.02 0.23 -0.50 0.50 0.09 0.00 0.00 178.44 178.78 1xqx h LYS 194 N 0.44 0.24 -0.22 1.13 3.64 -0.53 -0.96 116.57 120.31 1xqx h LYS 194 Ca 0.30 -0.14 -0.18 0.00 -1.27 0.00 0.00 60.65 59.36 1xqx h LYS 194 Cb 0.58 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1xqx h LYS 194 CO -0.09 0.69 -0.60 0.77 -2.27 0.00 0.00 179.45 177.95 1xqx h SER 195 N 0.19 0.82 -0.41 4.20 0.02 -0.77 -1.12 113.55 116.49 1xqx h SER 195 Ca 0.01 -0.46 -0.04 0.00 -0.84 0.00 0.00 61.79 60.45 1xqx h SER 195 Cb 0.96 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 1xqx h SER 195 CO 0.08 1.23 0.10 -0.07 -1.14 0.00 0.00 176.83 177.03 1xqx h LEU 196 N 0.54 0.62 -0.77 5.07 3.38 -1.03 -1.15 115.31 121.97 1xqx h LEU 196 Ca -0.00 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1xqx h LEU 196 Cb 1.19 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 1xqx h LEU 196 CO 0.12 0.69 0.32 -0.08 0.09 0.00 0.00 178.44 179.59 1xqx h GLU 197 N 0.52 1.14 -0.77 1.13 4.57 -1.13 -2.47 114.58 117.57 1xqx h GLU 197 Ca 0.13 -0.20 -0.03 0.00 -1.18 0.00 0.00 59.36 58.07 1xqx h GLU 197 Cb 0.32 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.68 1xqx h GLU 197 CO 0.00 0.92 0.34 1.88 -1.18 0.00 0.00 179.01 180.98 1xqx h TYR 198 N 1.11 1.13 -0.38 0.92 0.05 -0.82 -0.29 116.97 118.69 1xqx h TYR 198 Ca 0.26 -0.06 0.01 0.00 0.05 0.00 0.00 58.73 58.99 1xqx h TYR 198 Cb 0.19 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 37.56 1xqx h TYR 198 CO 0.02 0.83 0.23 0.00 -1.05 0.00 0.00 178.16 178.19 1xqx h ALA 199 N 1.27 0.48 -0.37 3.88 0.00 -0.80 -1.47 119.26 122.25 1xqx h ALA 199 Ca 0.26 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1xqx h ALA 199 Cb 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1xqx h ALA 199 CO -0.03 -0.09 -0.07 0.93 0.00 0.00 0.00 179.25 179.99 1xqx h GLU 200 N 0.48 0.71 0.00 0.00 5.08 -1.13 -3.29 114.58 116.43 1xqx h GLU 200 Ca 0.15 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 1xqx h GLU 200 Cb -0.02 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1xqx h GLU 200 CO -0.05 0.85 -0.43 0.00 -1.00 0.00 0.00 179.01 178.38 1xqx h ARG 201 N 0.51 0.00 0.00 2.33 2.47 -0.86 -3.45 114.38 115.38 1xqx h ARG 201 Ca 0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 1xqx h ARG 201 Cb 0.57 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 1xqx h ARG 201 CO 0.03 0.43 0.00 0.54 0.56 0.00 0.00 179.97 181.53 1xqx n ARG 202 N -3.57 1.20 -0.00 0.04 5.12 -0.57 -5.06 116.66 113.82 1xqx n ARG 202 Ca -0.00 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 55.94 1xqx n ARG 202 Cb 0.54 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.81 1xqx n ARG 202 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1xqx n ASN 203 N -2.03 0.85 0.08 0.55 3.02 -1.26 -4.76 115.26 111.71 1xqx n ASN 203 Ca 0.00 -0.51 -0.13 0.00 -0.03 0.00 0.00 54.58 53.92 1xqx n ASN 203 Cb 0.00 1.04 -0.08 0.00 -0.61 0.00 0.00 39.78 40.13 1xqx n ASN 203 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1xqx h VAL 204 N 0.00 0.94 0.14 2.41 2.07 -1.88 -2.35 116.25 117.59 1xqx h VAL 204 Ca 0.00 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.43 1xqx h VAL 204 Cb 0.13 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1xqx h VAL 204 CO 0.00 0.03 -0.30 0.22 0.02 0.00 0.00 177.57 177.54 1xqx h TYR 205 N -0.17 -0.80 -0.33 1.57 3.20 -1.75 0.13 116.97 118.82 1xqx h TYR 205 Ca -0.01 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.95 1xqx h TYR 205 Cb 0.14 0.34 -0.07 0.00 1.54 0.00 0.00 36.73 38.67 1xqx h TYR 205 CO -0.06 -0.41 -0.17 -0.09 -1.64 0.00 0.00 178.16 175.80 1xqx h ARG 206 N -0.53 -0.12 0.27 1.82 2.43 -1.71 0.11 114.38 116.65 1xqx h ARG 206 Ca 0.03 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1xqx h ARG 206 Cb 0.55 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1xqx h ARG 206 CO -0.16 -0.08 -0.13 0.82 -1.51 0.00 0.00 179.97 178.91 1xqx h ILE 207 N -0.12 0.59 -0.03 1.20 1.08 -1.23 -3.26 117.51 115.74 1xqx h ILE 207 Ca 0.17 -0.86 -0.24 0.00 -0.39 0.00 0.00 64.86 63.54 1xqx h ILE 207 Cb 0.38 0.96 0.01 0.00 -3.07 0.00 0.00 36.82 35.09 1xqx h ILE 207 CO -0.41 0.14 -0.95 0.24 -0.69 0.00 0.00 178.15 176.49 1xqx h MET 208 N -0.91 0.58 0.00 2.37 2.86 -0.77 -2.29 114.93 116.77 1xqx h MET 208 Ca -0.04 -0.59 0.00 0.00 -2.06 0.00 0.00 59.70 57.01 1xqx h MET 208 Cb 0.50 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.32 1xqx h MET 208 CO 0.06 1.21 -0.25 -1.71 1.06 0.00 0.00 176.91 177.28 1xqx n ASN 209 N -3.82 0.55 0.00 1.22 2.85 0.24 -2.57 115.26 113.73 1xqx n ASN 209 Ca -0.08 0.17 0.00 0.00 -0.11 0.00 0.00 54.58 54.55 1xqx n ASN 209 Cb 0.83 -0.58 0.00 0.00 1.24 0.00 0.00 39.78 41.27 1xqx n ASN 209 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xqx n GLY 210 N 1.55 0.55 0.23 8.20 0.00 -0.28 -0.19 105.19 115.25 1xqx n GLY 210 Ca -0.04 -1.75 -0.13 0.00 0.00 0.00 0.00 46.02 44.10 1xqx n GLY 210 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xqx h PRO 211 N 4.42 -0.37 0.00 1.61 0.11 -1.84 -3.37 132.00 132.57 1xqx h PRO 211 Ca 0.00 0.03 -0.22 0.00 0.11 0.00 0.00 66.00 65.92 1xqx h PRO 211 Cb 0.00 0.08 -0.06 0.00 0.11 0.00 0.00 31.00 31.14 1xqx h PRO 211 CO 0.00 -0.25 -0.19 0.27 -0.21 0.00 0.00 178.00 177.62 1xqx n ASN 212 N -5.31 -0.46 -0.21 -2.05 0.23 -1.26 -4.98 115.26 101.22 1xqx n ASN 212 Ca -0.07 -2.09 0.02 0.00 -0.53 0.00 0.00 54.58 51.91 1xqx n ASN 212 Cb 0.23 0.99 0.12 0.00 -2.08 0.00 0.00 39.78 39.04 1xqx n ASN 212 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1xqx h GLU 213 N 0.00 0.29 -0.65 -3.83 4.39 -1.96 -2.70 114.58 110.11 1xqx h GLU 213 Ca -0.13 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1xqx h GLU 213 Cb 0.62 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1xqx h GLU 213 CO 0.18 0.19 0.00 1.97 -1.16 0.00 0.00 179.01 180.19 1xqx n PHE 214 N -5.10 1.32 -3.75 4.33 1.16 -1.26 -4.65 117.46 109.51 1xqx n PHE 214 Ca 0.10 -0.54 -0.28 0.00 -1.87 0.00 0.00 57.45 54.86 1xqx n PHE 214 Cb 0.34 -0.20 -0.11 0.00 -1.61 0.00 0.00 39.48 37.90 1xqx n PHE 214 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30 1xqx n THR 215 N 1.10 0.83 -2.91 1.97 -1.04 -1.02 -4.94 114.28 108.28 1xqx n THR 215 Ca 0.24 -4.46 -0.44 0.00 -2.04 0.00 0.00 64.05 57.35 1xqx n THR 215 Cb 0.80 -2.03 -0.00 0.00 -1.82 0.00 0.00 70.33 67.27 1xqx n THR 215 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1xqx s ILE 216 N -1.06 4.95 -1.15 12.58 1.01 -1.26 -3.51 121.20 132.77 1xqx s ILE 216 Ca 0.28 -2.58 0.16 0.00 0.00 0.00 0.00 60.65 58.50 1xqx s ILE 216 Cb -0.01 -4.94 0.53 0.00 0.01 0.00 0.00 42.46 38.04 1xqx s ILE 216 CO -0.18 -1.66 1.45 0.35 0.00 0.00 0.00 174.94 174.90 1xqx n THR 217 N 4.77 1.38 -1.27 2.92 -2.24 -0.87 -4.65 114.28 114.32 1xqx n THR 217 Ca 0.38 -1.16 -0.16 0.00 -2.27 0.00 0.00 64.05 60.84 1xqx n THR 217 Cb 0.43 0.31 0.12 0.00 -2.10 0.00 0.00 70.33 69.09 1xqx n THR 217 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xqx n GLY 218 N 0.84 -1.75 0.00 3.38 0.00 0.74 -4.88 105.19 103.51 1xqx n GLY 218 Ca 0.20 -1.62 0.09 0.00 0.00 0.00 0.00 46.02 44.69 1xqx n GLY 218 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xqx n THR 219 N -3.26 0.46 0.06 2.61 -2.24 -0.86 -2.75 114.28 108.30 1xqx n THR 219 Ca 0.09 0.11 0.10 0.00 -2.27 0.00 0.00 64.05 62.08 1xqx n THR 219 Cb 0.32 -0.81 0.21 0.00 -2.10 0.00 0.00 70.33 67.95 1xqx n THR 219 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1xqx n ILE 220 N -1.29 0.67 0.28 2.28 -5.35 -1.12 -4.60 119.36 110.24 1xqx n ILE 220 Ca 0.09 -0.84 0.18 0.00 -0.27 0.00 0.00 62.75 61.91 1xqx n ILE 220 Cb 0.15 0.80 0.91 0.00 -1.74 0.00 0.00 39.64 39.76 1xqx n ILE 220 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 1xqx h LYS 221 N 3.79 0.00 -0.01 6.28 2.10 -1.77 -1.94 116.57 125.02 1xqx h LYS 221 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1xqx h LYS 221 Cb 0.90 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.23 1xqx h LYS 221 CO 0.00 0.00 -0.57 -0.25 -2.00 0.00 0.00 179.45 176.63 1xqx n ASP 222 N -3.24 1.15 -4.69 7.07 10.43 -1.26 -3.99 116.55 122.02 1xqx n ASP 222 Ca -0.00 -1.07 -0.44 0.00 2.57 0.00 0.00 54.79 55.84 1xqx n ASP 222 Cb 0.32 0.76 -0.03 0.00 1.84 0.00 0.00 41.12 44.01 1xqx n ASP 222 CO 0.00 0.00 0.00 1.87 -1.07 0.00 0.00 177.20 178.00 1xqx n TRP 223 N -0.81 2.43 -3.15 1.24 -0.00 -0.73 -4.85 117.44 111.56 1xqx n TRP 223 Ca 0.05 0.25 0.04 0.00 -0.00 0.00 0.00 57.50 57.84 1xqx n TRP 223 Cb 0.29 -2.56 -0.01 0.00 -0.00 0.00 0.00 31.31 29.03 1xqx n TRP 223 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1xqx s ASP 224 N 0.80 -1.31 -0.22 5.87 3.68 -1.26 -1.34 116.67 122.90 1xqx s ASP 224 Ca 0.74 0.54 0.13 0.00 2.13 0.00 0.00 52.55 56.09 1xqx s ASP 224 Cb -0.61 1.98 0.47 0.00 -1.45 0.00 0.00 42.92 43.30 1xqx s ASP 224 CO 0.40 -0.24 1.37 2.30 0.13 0.00 0.00 175.17 179.13 1xqx n ILE 225 N 5.41 2.31 -0.29 4.11 -5.35 0.20 -4.73 119.36 121.02 1xqx n ILE 225 Ca 0.01 -2.44 0.15 0.00 -0.27 0.00 0.00 62.75 60.20 1xqx n ILE 225 Cb 0.53 -0.28 0.40 0.00 -1.74 0.00 0.00 39.64 38.55 1xqx n ILE 225 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1xqx h THR 226 N 1.07 0.75 -0.17 7.28 2.02 -1.94 -0.51 112.91 121.41 1xqx h THR 226 Ca 0.09 -0.22 -0.10 0.00 0.77 0.00 0.00 66.41 66.95 1xqx h THR 226 Cb 1.40 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1xqx h THR 226 CO 0.22 0.11 -0.32 -2.24 0.37 0.00 0.00 175.52 173.67 1xqx h ASP 227 N 0.63 0.34 0.46 4.18 2.03 -1.92 -3.28 116.42 118.86 1xqx h ASP 227 Ca 0.50 -0.12 -0.30 0.00 -0.73 0.00 0.00 57.03 56.37 1xqx h ASP 227 Cb 0.92 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.34 1xqx h ASP 227 CO -0.25 0.65 -1.45 0.11 -1.03 0.00 0.00 179.24 177.27 1xqx h LYS 228 N 0.29 0.31 0.00 4.15 1.79 -1.48 -3.35 116.57 118.28 1xqx h LYS 228 Ca 0.04 -0.53 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 1xqx h LYS 228 Cb 0.71 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1xqx h LYS 228 CO 0.05 1.21 0.13 0.44 -1.08 0.00 0.00 179.45 180.21 1xqx n ILE 229 N -3.53 1.14 0.33 1.86 -5.35 -0.81 -1.50 119.36 111.49 1xqx n ILE 229 Ca -0.15 0.64 0.10 0.00 -0.27 0.00 0.00 62.75 63.08 1xqx n ILE 229 Cb 1.05 -1.64 0.46 0.00 -1.74 0.00 0.00 39.64 37.76 1xqx n ILE 229 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1xqx n SER 230 N -1.84 0.51 -0.00 7.28 7.64 -1.26 -2.05 113.62 123.89 1xqx n SER 230 Ca -0.01 0.65 0.14 0.00 1.01 0.00 0.00 58.87 60.66 1xqx n SER 230 Cb 0.15 -0.75 0.56 0.00 -1.01 0.00 0.00 64.21 63.16 1xqx n SER 230 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xqx n ALA 231 N -1.72 2.52 -1.81 -0.43 0.00 -0.57 -4.80 120.51 113.71 1xqx n ALA 231 Ca 0.01 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 1xqx n ALA 231 Cb 0.16 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.17 1xqx n ALA 231 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xqx s ILE 232 N -2.99 3.25 -0.57 0.00 -1.09 -0.87 -4.85 121.20 114.07 1xqx s ILE 232 Ca 0.14 0.24 0.02 0.00 -2.23 0.00 0.00 60.65 58.82 1xqx s ILE 232 Cb 0.19 -3.36 0.42 0.00 -1.58 0.00 0.00 42.46 38.13 1xqx s ILE 232 CO 0.56 -0.25 1.64 0.29 -1.23 0.00 0.00 174.94 175.94 1xqx n LYS 233 N 8.65 3.09 -4.19 2.79 4.01 -1.26 -4.49 118.16 126.76 1xqx n LYS 233 Ca 0.27 -3.81 -0.12 0.00 -0.51 0.00 0.00 58.31 54.14 1xqx n LYS 233 Cb 0.47 -2.28 -0.10 0.00 -0.51 0.00 0.00 35.03 32.61 1xqx n LYS 233 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 1xqx s ILE 234 N -4.96 0.86 -0.10 -0.18 -4.36 -1.26 -5.09 121.20 106.10 1xqx s ILE 234 Ca 0.55 -1.87 -0.36 0.00 -0.26 0.00 0.00 60.65 58.71 1xqx s ILE 234 Cb 0.45 -1.61 -0.13 0.00 1.25 0.00 0.00 42.46 42.41 1xqx s ILE 234 CO -0.12 -0.76 1.78 -2.65 0.24 0.00 0.00 174.94 173.43 1xqx n PRO 235 N 0.11 1.85 -4.92 0.37 -0.02 -1.26 -4.77 135.00 126.35 1xqx n PRO 235 Ca -0.13 0.67 -0.28 0.00 -2.02 0.00 0.00 63.50 61.75 1xqx n PRO 235 Cb 0.60 -2.46 -0.16 0.00 -0.02 0.00 0.00 33.50 31.46 1xqx n PRO 235 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1xqx s THR 236 N 3.40 1.58 -0.13 3.45 2.01 -1.26 -0.67 115.64 124.03 1xqx s THR 236 Ca 0.92 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 62.15 1xqx s THR 236 Cb -0.81 -1.37 -0.01 0.00 0.01 0.00 0.00 72.50 70.32 1xqx s THR 236 CO 0.54 0.45 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.56 1xqx s LEU 237 N 0.20 2.66 -0.14 4.42 2.96 0.38 -1.37 118.68 127.79 1xqx s LEU 237 Ca -0.09 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 1xqx s LEU 237 Cb -0.14 -1.60 0.02 0.00 0.50 0.00 0.00 46.19 44.97 1xqx s LEU 237 CO 0.04 0.16 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.43 1xqx s ILE 238 N 0.38 1.74 0.12 6.68 1.01 0.17 -0.82 121.20 130.48 1xqx s ILE 238 Ca -0.11 -0.76 0.10 0.00 0.00 0.00 0.00 60.65 59.88 1xqx s ILE 238 Cb -0.16 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 1xqx s ILE 238 CO 0.06 0.49 -0.26 0.42 0.00 0.00 0.00 174.94 175.65 1xqx s THR 239 N 1.18 2.15 -0.17 2.92 -4.23 0.40 0.11 115.64 118.00 1xqx s THR 239 Ca -0.01 -1.69 -0.19 0.00 -1.18 0.00 0.00 61.69 58.63 1xqx s THR 239 Cb -0.14 -1.90 0.05 0.00 1.34 0.00 0.00 72.50 71.85 1xqx s THR 239 CO -0.07 0.09 0.51 0.54 -0.54 0.00 0.00 174.62 175.15 1xqx s VAL 240 N -1.05 0.00 0.46 2.29 0.11 -0.56 -1.19 120.40 120.46 1xqx s VAL 240 Ca 0.12 -0.04 -0.22 0.00 -2.93 0.00 0.00 61.98 58.92 1xqx s VAL 240 Cb -0.10 -0.73 -0.08 0.00 -1.53 0.00 0.00 36.38 33.93 1xqx s VAL 240 CO 0.05 -0.02 1.06 -0.83 -3.33 0.00 0.00 175.10 172.03 1xqx s GLY 241 N 0.05 2.61 0.19 6.54 0.00 -1.01 -1.02 107.32 114.68 1xqx s GLY 241 Ca -0.02 0.68 -0.13 0.00 0.00 0.00 0.00 44.72 45.26 1xqx s GLY 241 CO 0.02 1.05 1.73 -2.09 0.00 0.00 0.00 173.10 173.80 1xqx h GLU 242 N 1.85 0.27 -0.54 2.90 4.81 0.22 -2.19 114.58 121.91 1xqx h GLU 242 Ca -0.49 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 58.54 1xqx h GLU 242 Cb 1.22 -0.06 -0.11 0.00 0.63 0.00 0.00 28.75 30.43 1xqx h GLU 242 CO 0.60 0.18 0.15 0.66 -0.73 0.00 0.00 179.01 179.87 1xqx n TYR 243 N -5.07 1.76 -1.70 0.92 4.01 0.25 -4.79 117.16 112.54 1xqx n TYR 243 Ca 0.06 -1.30 -0.44 0.00 -0.16 0.00 0.00 57.90 56.06 1xqx n TYR 243 Cb 0.23 -0.57 -0.02 0.00 -0.31 0.00 0.00 39.34 38.67 1xqx n TYR 243 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1xqx n ASP 244 N -0.62 3.10 0.19 7.72 4.64 -0.82 -4.23 116.55 126.53 1xqx n ASP 244 Ca 0.36 1.15 0.13 0.00 -1.38 0.00 0.00 54.79 55.05 1xqx n ASP 244 Cb 1.20 -1.48 0.70 0.00 -1.04 0.00 0.00 41.12 40.50 1xqx n ASP 244 CO 0.00 0.00 0.00 1.05 -0.82 0.00 0.00 177.20 177.43 1xqx h GLU 245 N 4.34 0.00 -3.47 -0.67 4.11 -1.50 -2.72 114.58 114.67 1xqx h GLU 245 Ca -0.46 0.00 -0.77 0.00 0.07 0.00 0.00 59.36 58.20 1xqx h GLU 245 Cb 1.26 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.21 1xqx h GLU 245 CO 0.76 0.00 0.30 0.28 0.07 0.00 0.00 179.01 180.42 1xqx n VAL 246 N -4.34 4.12 -0.98 -1.06 0.31 -1.26 -4.58 118.33 110.53 1xqx n VAL 246 Ca 0.01 -5.32 -0.33 0.00 -0.01 0.00 0.00 64.34 58.69 1xqx n VAL 246 Cb 0.26 -2.52 0.02 0.00 -0.91 0.00 0.00 33.84 30.70 1xqx n VAL 246 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1xqx n THR 247 N 2.52 0.00 0.27 2.52 -2.24 -1.03 -4.58 114.28 111.75 1xqx n THR 247 Ca 0.23 -0.44 0.16 0.00 -2.27 0.00 0.00 64.05 61.73 1xqx n THR 247 Cb 0.38 0.00 0.81 0.00 -2.10 0.00 0.00 70.33 69.42 1xqx n THR 247 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1xqx h PRO 248 N -0.51 0.00 -0.52 -0.78 0.13 -1.85 -0.51 132.00 127.96 1xqx h PRO 248 Ca -0.38 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.67 1xqx h PRO 248 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1xqx h PRO 248 CO 0.28 0.00 0.01 -0.91 -0.23 0.00 0.00 178.00 177.15 1xqx h ASN 249 N 0.00 0.89 -0.27 1.44 -0.26 -1.98 0.83 115.58 116.22 1xqx h ASN 249 Ca 0.00 -0.30 -0.09 0.00 -0.56 0.00 0.00 56.30 55.35 1xqx h ASN 249 Cb 0.12 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.14 1xqx h ASN 249 CO 0.00 0.97 -0.19 0.58 -1.06 0.00 0.00 177.43 177.73 1xqx h VAL 250 N 0.78 1.30 -0.79 2.81 2.07 -1.41 -2.59 116.25 118.42 1xqx h VAL 250 Ca 0.15 -1.32 0.01 0.00 0.82 0.00 0.00 66.70 66.37 1xqx h VAL 250 Cb 0.51 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 1xqx h VAL 250 CO 0.02 0.42 0.52 0.00 0.02 0.00 0.00 177.57 178.55 1xqx h ALA 251 N 0.72 1.01 -0.41 1.67 0.00 -1.09 -2.78 119.26 118.38 1xqx h ALA 251 Ca 0.05 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1xqx h ALA 251 Cb 0.73 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1xqx h ALA 251 CO 0.05 0.40 0.17 -0.09 0.00 0.00 0.00 179.25 179.78 1xqx h ARG 252 N 1.05 0.34 -0.80 0.00 2.43 0.86 -1.47 114.38 116.79 1xqx h ARG 252 Ca 0.29 -0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.58 1xqx h ARG 252 Cb -0.10 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.32 1xqx h ARG 252 CO -0.07 0.23 0.53 0.28 -1.51 0.00 0.00 179.97 179.42 1xqx h VAL 253 N 0.35 0.84 -0.05 0.20 2.07 -1.18 0.29 116.25 118.77 1xqx h VAL 253 Ca 0.18 -0.20 -0.21 0.00 0.82 0.00 0.00 66.70 67.30 1xqx h VAL 253 Cb 0.13 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1xqx h VAL 253 CO -0.16 0.10 -0.83 0.40 0.02 0.00 0.00 177.57 177.10 1xqx h ILE 254 N 0.57 1.37 -0.37 4.57 2.04 -1.31 -3.06 117.51 121.32 1xqx h ILE 254 Ca 0.39 -2.25 -0.08 0.00 1.00 0.00 0.00 64.86 63.92 1xqx h ILE 254 Cb 0.71 2.23 -0.02 0.00 -0.74 0.00 0.00 36.82 39.01 1xqx h ILE 254 CO -0.15 0.68 -0.10 -0.74 0.00 0.00 0.00 178.15 177.84 1xqx h HIS 255 N 0.29 0.69 -0.02 1.37 2.76 0.42 -2.30 115.15 118.36 1xqx h HIS 255 Ca -0.06 -0.11 -0.10 0.00 -2.20 0.00 0.00 60.37 57.90 1xqx h HIS 255 Cb 1.44 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 30.21 1xqx h HIS 255 CO 0.06 0.72 -0.45 0.93 -1.30 0.00 0.00 177.93 177.89 1xqx h GLU 256 N 0.59 0.05 0.23 5.26 5.08 -0.58 -3.29 114.58 121.92 1xqx h GLU 256 Ca 0.11 -0.02 -0.33 0.00 -1.00 0.00 0.00 59.36 58.11 1xqx h GLU 256 Cb 0.52 -0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.80 1xqx h GLU 256 CO 0.03 0.49 -1.50 0.87 -1.00 0.00 0.00 179.01 177.90 1xqx h LYS 257 N 0.04 0.50 -5.38 2.33 6.56 -1.37 -3.44 116.57 115.82 1xqx h LYS 257 Ca -0.00 -0.85 -0.64 0.00 -1.06 0.00 0.00 60.65 58.10 1xqx h LYS 257 Cb 0.81 0.32 -0.14 0.00 -0.57 0.00 0.00 32.23 32.64 1xqx h LYS 257 CO 0.06 1.40 0.07 0.42 -2.06 0.00 0.00 179.45 179.34 1xqx s ILE 258 N -2.60 4.92 0.40 1.86 1.09 -0.90 -4.37 121.20 121.60 1xqx s ILE 258 Ca -0.09 0.39 -0.27 0.00 -1.10 0.00 0.00 60.65 59.58 1xqx s ILE 258 Cb 0.05 -4.07 -0.09 0.00 -1.06 0.00 0.00 42.46 37.29 1xqx s ILE 258 CO 0.93 -0.34 1.38 0.00 -0.10 0.00 0.00 174.94 176.80 1xqx s ALA 259 N 2.62 3.35 0.00 9.38 0.00 -1.26 -2.22 121.76 133.63 1xqx s ALA 259 Ca 0.22 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1xqx s ALA 259 Cb -0.15 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1xqx s ALA 259 CO 0.15 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.37 1xqx n GLY 260 N 0.62 0.27 3.80 0.00 0.00 -1.26 -4.86 105.19 103.75 1xqx n GLY 260 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1xqx n GLY 260 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xqx s SER 261 N -2.18 5.96 -0.02 1.61 1.04 -0.94 -4.67 113.70 114.49 1xqx s SER 261 Ca 0.00 1.89 0.03 0.00 0.48 0.00 0.00 55.95 58.35 1xqx s SER 261 Cb 0.00 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.54 1xqx s SER 261 CO 0.00 -1.04 -0.10 -1.61 0.98 0.00 0.00 173.24 171.46 1xqx s GLU 262 N -3.72 2.52 -0.12 4.02 2.02 -0.47 -5.00 118.70 117.95 1xqx s GLU 262 Ca 0.66 -0.71 0.03 0.00 0.02 0.00 0.00 54.97 54.97 1xqx s GLU 262 Cb -0.17 -2.45 0.01 0.00 0.10 0.00 0.00 34.13 31.62 1xqx s GLU 262 CO 0.30 0.61 -0.22 -1.17 0.02 0.00 0.00 175.26 174.81 1xqx s LEU 263 N -1.11 2.05 -0.19 1.80 2.96 -1.26 0.41 118.68 123.35 1xqx s LEU 263 Ca 0.14 -0.56 0.00 0.00 -0.22 0.00 0.00 54.13 53.50 1xqx s LEU 263 Cb -0.11 -1.37 0.04 0.00 0.50 0.00 0.00 46.19 45.25 1xqx s LEU 263 CO 0.04 0.10 -0.08 -2.28 -1.32 0.00 0.00 176.35 172.81 1xqx s HIS 264 N 0.65 2.15 -0.47 5.38 5.65 0.12 -4.98 115.29 123.79 1xqx s HIS 264 Ca -0.12 -1.40 -0.18 0.00 0.25 0.00 0.00 55.06 53.62 1xqx s HIS 264 Cb -0.16 -1.52 0.05 0.00 -1.18 0.00 0.00 32.58 29.77 1xqx s HIS 264 CO 0.02 -0.70 0.53 0.08 -0.65 0.00 0.00 174.74 174.02 1xqx s VAL 265 N 1.49 5.01 -0.01 0.89 1.01 -1.26 -1.50 120.40 126.02 1xqx s VAL 265 Ca -0.00 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 1xqx s VAL 265 Cb -0.16 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 1xqx s VAL 265 CO -0.08 -0.64 1.24 -0.36 0.00 0.00 0.00 175.10 175.26 1xqx s PHE 266 N 2.30 3.19 0.35 5.22 0.40 -0.19 -4.81 117.98 124.45 1xqx s PHE 266 Ca 0.12 1.16 -0.25 0.00 -0.60 0.00 0.00 56.93 57.36 1xqx s PHE 266 Cb -0.19 -3.47 -0.10 0.00 0.51 0.00 0.00 43.02 39.77 1xqx s PHE 266 CO 0.12 -1.53 0.98 1.03 0.70 0.00 0.00 175.22 176.52 1xqx s ARG 267 N 1.93 4.43 0.00 0.44 1.81 -1.26 -0.13 118.95 126.17 1xqx s ARG 267 Ca 0.58 1.38 0.00 0.00 -1.72 0.00 0.00 55.73 55.97 1xqx s ARG 267 Cb -0.27 -2.68 0.00 0.00 -0.45 0.00 0.00 34.95 31.54 1xqx s ARG 267 CO 0.25 0.13 0.00 -0.25 -0.68 0.00 0.00 175.30 174.74 1xqx n ASP 268 N 0.29 -3.12 -4.59 0.23 10.43 -1.26 -4.90 116.55 113.63 1xqx n ASP 268 Ca 0.03 0.00 -0.24 0.00 2.57 0.00 0.00 54.79 57.15 1xqx n ASP 268 Cb 0.50 -2.15 -0.08 0.00 1.84 0.00 0.00 41.12 41.23 1xqx n ASP 268 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1xqx n SER 270 N -0.60 0.00 -0.10 0.00 3.41 -1.26 -0.46 113.62 114.62 1xqx n SER 270 Ca -0.07 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.35 1xqx n SER 270 Cb 0.58 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.43 1xqx n SER 270 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1xqx h HIS 271 N 0.00 0.00 -0.94 7.33 2.76 -1.28 -2.68 115.15 120.34 1xqx h HIS 271 Ca 0.00 0.00 -0.73 0.00 -2.20 0.00 0.00 60.37 57.44 1xqx h HIS 271 Cb 0.00 0.00 -0.10 0.00 1.55 0.00 0.00 27.41 28.86 1xqx h HIS 271 CO 0.00 1.22 2.54 1.28 -1.30 0.00 0.00 177.93 181.67 1xqx n LEU 272 N -4.47 7.38 0.19 0.26 4.77 -0.37 -4.72 117.00 120.04 1xqx n LEU 272 Ca -0.27 -4.61 0.13 0.00 -0.03 0.00 0.00 56.01 51.23 1xqx n LEU 272 Cb 0.60 -1.48 0.68 0.00 -2.33 0.00 0.00 43.42 40.89 1xqx n LEU 272 CO 0.18 1.64 0.89 0.71 -1.33 0.00 0.00 177.39 179.47 1xqx h THR 273 N 3.34 0.00 0.00 -5.08 1.35 -1.87 -2.09 112.91 108.56 1xqx h THR 273 Ca 0.57 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 66.40 1xqx h THR 273 Cb 0.49 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 1xqx h THR 273 CO 1.64 0.00 0.00 0.24 -0.25 0.00 0.00 175.52 177.15 1xqx h MET 274 N 0.00 0.00 0.00 4.72 2.86 -1.84 -2.11 114.93 118.55 1xqx h MET 274 Ca 0.00 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 1xqx h MET 274 Cb 0.05 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1xqx h MET 274 CO 0.00 0.00 -1.62 0.91 1.06 0.00 0.00 176.91 177.26 1xqx n TRP 275 N -2.72 0.00 0.08 -0.22 7.02 -0.80 -3.42 117.44 117.38 1xqx n TRP 275 Ca 0.03 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.36 1xqx n TRP 275 Cb 0.35 -0.40 -0.08 0.00 -2.42 0.00 0.00 31.31 28.76 1xqx n TRP 275 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1xqx h GLU 276 N 0.00 0.38 -1.64 -0.99 5.08 -1.53 -3.37 114.58 112.51 1xqx h GLU 276 Ca -0.16 -0.48 -0.49 0.00 -1.00 0.00 0.00 59.36 57.23 1xqx h GLU 276 Cb 1.17 0.15 -0.35 0.00 0.50 0.00 0.00 28.75 30.22 1xqx h GLU 276 CO 0.01 1.16 -1.01 -3.47 -1.00 0.00 0.00 179.01 174.70 1xqx n ASP 277 N -3.68 -0.27 -0.05 1.42 2.03 -0.80 -5.01 116.55 110.20 1xqx n ASP 277 Ca -0.08 -2.86 -0.08 0.00 0.52 0.00 0.00 54.79 52.29 1xqx n ASP 277 Cb 0.91 -0.19 -0.02 0.00 -0.72 0.00 0.00 41.12 41.10 1xqx n ASP 277 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1xqx h ARG 278 N 3.82 -0.04 0.13 -0.67 2.43 -1.67 0.16 114.38 118.53 1xqx h ARG 278 Ca 0.04 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1xqx h ARG 278 Cb 0.92 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1xqx h ARG 278 CO 0.44 -0.03 -0.06 1.49 -1.51 0.00 0.00 179.97 180.30 1xqx h GLU 279 N -0.04 -0.17 -0.59 0.20 4.81 -1.93 -1.07 114.58 115.80 1xqx h GLU 279 Ca 0.11 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.41 1xqx h GLU 279 Cb 0.21 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.57 1xqx h GLU 279 CO -0.25 0.08 0.29 0.78 -0.73 0.00 0.00 179.01 179.19 1xqx h GLY 280 N -0.40 0.84 0.98 1.92 0.00 -1.92 0.57 103.07 105.05 1xqx h GLY 280 Ca -0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 1xqx h GLY 280 CO 0.03 0.10 -0.38 -1.82 0.00 0.00 0.00 176.54 174.47 1xqx h TYR 281 N 0.55 -0.99 -0.76 5.60 3.20 -0.64 -1.11 116.97 122.82 1xqx h TYR 281 Ca 0.27 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.13 1xqx h TYR 281 Cb 0.20 0.33 -0.04 0.00 1.54 0.00 0.00 36.73 38.76 1xqx h TYR 281 CO -0.11 -0.61 0.50 -0.91 -1.64 0.00 0.00 178.16 175.40 1xqx h ASN 282 N -1.10 0.86 -0.15 -2.11 -0.26 -0.92 -1.10 115.58 110.80 1xqx h ASN 282 Ca -0.11 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.61 1xqx h ASN 282 Cb 0.82 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.87 1xqx h ASN 282 CO 0.18 0.62 0.07 0.50 -1.06 0.00 0.00 177.43 177.74 1xqx h LYS 283 N 1.01 0.22 -0.14 0.81 3.64 0.26 0.19 116.57 122.57 1xqx h LYS 283 Ca 0.28 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.66 1xqx h LYS 283 Cb -0.09 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 1xqx h LYS 283 CO -0.07 0.26 -0.03 1.25 -2.27 0.00 0.00 179.45 178.59 1xqx h LEU 284 N 0.12 -0.13 -0.77 5.20 5.85 -0.64 0.99 115.31 125.93 1xqx h LEU 284 Ca 0.05 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 1xqx h LEU 284 Cb 0.12 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1xqx h LEU 284 CO -0.01 -0.05 0.24 -0.07 -0.34 0.00 0.00 178.44 178.22 1xqx h LEU 285 N -0.00 1.09 -0.24 2.25 4.07 -1.08 -0.77 115.31 120.62 1xqx h LEU 285 Ca 0.07 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 57.83 1xqx h LEU 285 Cb 0.10 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.54 1xqx h LEU 285 CO -0.14 1.00 0.16 0.28 -1.08 0.00 0.00 178.44 178.66 1xqx h SER 286 N 1.11 0.28 -0.47 -0.43 0.02 -0.21 0.01 113.55 113.86 1xqx h SER 286 Ca 0.24 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.14 1xqx h SER 286 Cb 0.30 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 1xqx h SER 286 CO -0.01 0.20 0.13 0.44 -1.14 0.00 0.00 176.83 176.45 1xqx h ASP 287 N 0.33 0.69 -0.35 3.07 3.32 -0.57 -0.96 116.42 121.96 1xqx h ASP 287 Ca 0.09 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 56.93 1xqx h ASP 287 Cb -0.04 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1xqx h ASP 287 CO -0.02 0.73 0.22 0.15 -1.72 0.00 0.00 179.24 178.60 1xqx h PHE 288 N 0.62 0.41 0.01 4.55 3.57 -0.89 -1.99 116.94 123.21 1xqx h PHE 288 Ca 0.15 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 1xqx h PHE 288 Cb 0.30 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1xqx h PHE 288 CO 0.02 0.25 -0.00 0.82 -2.23 0.00 0.00 178.31 177.16 1xqx h ILE 289 N 0.44 1.16 0.00 1.41 1.08 -0.85 -3.09 117.51 117.66 1xqx h ILE 289 Ca 0.13 -0.52 -0.01 0.00 -0.39 0.00 0.00 64.86 64.08 1xqx h ILE 289 Cb -0.03 1.52 -0.00 0.00 -3.07 0.00 0.00 36.82 35.24 1xqx h ILE 289 CO -0.05 0.13 -0.03 -0.07 -0.69 0.00 0.00 178.15 177.45 1xqx h LEU 290 N -0.23 0.00 -3.05 1.44 4.07 -1.10 -1.75 115.31 114.69 1xqx h LEU 290 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1xqx h LEU 290 Cb 0.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.97 1xqx h LEU 290 CO 0.00 0.03 0.00 2.29 -1.08 0.00 0.00 178.44 179.68 1xqx n LYS 291 N -3.53 3.86 -2.08 1.13 2.85 -0.76 -4.26 118.16 115.38 1xqx n LYS 291 Ca -0.03 -2.75 0.02 0.00 -1.05 0.00 0.00 58.31 54.51 1xqx n LYS 291 Cb 0.12 -1.96 0.03 0.00 -0.65 0.00 0.00 35.03 32.57 1xqx n LYS 291 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1xqx n HIS 292 N 0.92 0.50 0.92 5.58 8.25 -0.66 -5.06 115.22 125.67 1xqx n HIS 292 Ca 0.25 -1.22 0.07 0.00 -0.26 0.00 0.00 57.72 56.56 1xqx n HIS 292 Cb 0.92 -0.14 0.44 0.00 1.12 0.00 0.00 29.99 32.33 1xqx n HIS 292 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26