#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xrq s ILE 6 N -1.59 4.70 0.19 0.00 2.07 -0.67 -4.84 121.20 121.07 1xrq s ILE 6 Ca 0.47 1.97 0.08 0.00 -1.41 0.00 0.00 60.65 61.76 1xrq s ILE 6 Cb -0.17 -4.26 -0.04 0.00 0.13 0.00 0.00 42.46 38.11 1xrq s ILE 6 CO 0.22 0.17 -0.04 -1.61 -1.91 0.00 0.00 174.94 171.77 1xrq s GLU 7 N 0.87 2.24 -0.08 3.50 2.02 -1.26 -1.01 118.70 124.99 1xrq s GLU 7 Ca 0.52 -1.23 -0.30 0.00 0.02 0.00 0.00 54.97 53.97 1xrq s GLU 7 Cb -0.23 -2.24 0.12 0.00 0.10 0.00 0.00 34.13 31.88 1xrq s GLU 7 CO 0.29 0.43 0.98 1.21 0.02 0.00 0.00 175.26 178.19 1xrq s ASN 8 N -3.04 -0.31 -0.60 -0.19 2.47 -1.08 -5.02 114.94 107.16 1xrq s ASN 8 Ca 0.27 0.07 0.04 0.00 0.42 0.00 0.00 52.86 53.67 1xrq s ASN 8 Cb -0.08 0.31 0.16 0.00 -1.45 0.00 0.00 41.25 40.19 1xrq s ASN 8 CO 0.17 -0.48 0.41 -0.47 -3.72 0.00 0.00 177.10 173.02 1xrq s TYR 9 N -2.58 2.87 0.26 0.43 6.14 -1.26 -1.94 117.35 121.27 1xrq s TYR 9 Ca 0.05 -3.02 0.06 0.00 0.64 0.00 0.00 57.07 54.79 1xrq s TYR 9 Cb -0.01 -2.27 -0.03 0.00 0.42 0.00 0.00 41.96 40.07 1xrq s TYR 9 CO -0.06 -0.65 0.31 0.00 0.64 0.00 0.00 175.55 175.79 1xrq s ALA 10 N -0.85 3.83 -0.20 3.97 0.00 -0.95 -4.83 121.76 122.74 1xrq s ALA 10 Ca 0.25 -1.34 -0.27 0.00 0.00 0.00 0.00 51.96 50.60 1xrq s ALA 10 Cb -0.07 -1.54 -0.01 0.00 0.00 0.00 0.00 23.12 21.50 1xrq s ALA 10 CO -0.14 0.21 0.91 0.21 0.00 0.00 0.00 175.76 176.94 1xrq s LYS 11 N -3.95 4.27 -0.20 0.00 2.20 -1.26 0.01 119.74 120.81 1xrq s LYS 11 Ca 0.35 1.13 -0.01 0.00 -0.36 0.00 0.00 55.97 57.08 1xrq s LYS 11 Cb -0.08 -3.61 0.06 0.00 -1.51 0.00 0.00 37.83 32.68 1xrq s LYS 11 CO 0.28 -0.46 -0.02 0.08 -0.36 0.00 0.00 175.35 174.87 1xrq s VAL 12 N 2.59 1.04 -1.79 4.02 1.01 0.62 -4.79 120.40 123.10 1xrq s VAL 12 Ca 0.40 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1xrq s VAL 12 Cb -0.16 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.85 1xrq s VAL 12 CO 0.10 -0.09 0.00 -3.20 0.00 0.00 0.00 175.10 171.91 1xrq n ASN 13 N 4.87 -5.73 0.00 3.32 5.15 -1.26 -3.65 115.26 117.96 1xrq n ASN 13 Ca -0.11 0.06 0.00 0.00 -0.60 0.00 0.00 54.58 53.93 1xrq n ASN 13 Cb 0.46 -4.81 0.00 0.00 -0.53 0.00 0.00 39.78 34.90 1xrq n ASN 13 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xrq n GLY 14 N -0.93 2.39 3.98 8.20 0.00 -1.26 -5.02 105.19 112.54 1xrq n GLY 14 Ca -0.24 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 44.88 1xrq n GLY 14 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xrq s ILE 15 N 0.00 2.53 -0.20 -0.61 -4.36 -1.24 -4.99 121.20 112.33 1xrq s ILE 15 Ca 0.00 -0.64 -0.20 0.00 -0.26 0.00 0.00 60.65 59.54 1xrq s ILE 15 Cb 0.00 -2.89 -0.03 0.00 1.25 0.00 0.00 42.46 40.80 1xrq s ILE 15 CO 0.00 0.00 0.61 -0.31 0.24 0.00 0.00 174.94 175.48 1xrq s TYR 16 N -2.85 3.37 -0.09 1.37 1.51 -1.26 -0.27 117.35 119.13 1xrq s TYR 16 Ca 0.59 0.91 0.03 0.00 -1.01 0.00 0.00 57.07 57.59 1xrq s TYR 16 Cb -0.09 -2.78 -0.01 0.00 -0.11 0.00 0.00 41.96 38.96 1xrq s TYR 16 CO 0.40 -0.17 -0.18 0.42 -1.11 0.00 0.00 175.55 174.91 1xrq s ILE 17 N 1.88 2.65 0.06 2.71 -1.09 0.10 0.69 121.20 128.20 1xrq s ILE 17 Ca 0.28 -0.83 -0.19 0.00 -2.23 0.00 0.00 60.65 57.68 1xrq s ILE 17 Cb -0.16 -2.05 -0.07 0.00 -1.58 0.00 0.00 42.46 38.61 1xrq s ILE 17 CO 0.10 0.56 0.54 -0.47 -1.23 0.00 0.00 174.94 174.44 1xrq s TYR 18 N -0.06 3.80 0.03 3.97 5.04 -1.26 -2.23 117.35 126.64 1xrq s TYR 18 Ca -0.04 1.23 -0.04 0.00 -2.44 0.00 0.00 57.07 55.77 1xrq s TYR 18 Cb -0.14 -2.46 -0.02 0.00 0.35 0.00 0.00 41.96 39.69 1xrq s TYR 18 CO 0.04 0.60 0.05 1.52 -1.34 0.00 0.00 175.55 176.43 1xrq s TYR 19 N -1.10 0.25 -0.24 4.97 1.13 -0.82 -1.75 117.35 119.79 1xrq s TYR 19 Ca 0.28 -0.57 0.01 0.00 -1.41 0.00 0.00 57.07 55.38 1xrq s TYR 19 Cb -0.19 -0.18 0.06 0.00 -1.10 0.00 0.00 41.96 40.55 1xrq s TYR 19 CO 0.18 -0.32 -0.06 0.21 -2.51 0.00 0.00 175.55 173.05 1xrq s LYS 20 N -2.47 1.69 -0.47 -3.49 2.20 0.32 -2.65 119.74 114.87 1xrq s LYS 20 Ca -0.06 -1.04 -0.10 0.00 -0.36 0.00 0.00 55.97 54.41 1xrq s LYS 20 Cb -0.02 -2.62 0.11 0.00 -1.51 0.00 0.00 37.83 33.79 1xrq s LYS 20 CO -0.04 -0.60 0.36 -1.17 -0.36 0.00 0.00 175.35 173.54 1xrq s LEU 21 N 1.36 5.69 -0.83 5.43 2.96 -0.18 0.39 118.68 133.51 1xrq s LEU 21 Ca -0.06 -1.83 -0.20 0.00 -0.22 0.00 0.00 54.13 51.82 1xrq s LEU 21 Cb -0.19 -2.04 0.11 0.00 0.50 0.00 0.00 46.19 44.57 1xrq s LEU 21 CO -0.06 -0.70 1.06 0.00 -1.32 0.00 0.00 176.35 175.33 1xrq s LYS 23 N 3.08 4.18 -0.03 0.00 1.02 -1.26 -2.71 119.74 124.02 1xrq s LYS 23 Ca 0.28 2.47 -0.21 0.00 0.02 0.00 0.00 55.97 58.53 1xrq s LYS 23 Cb -0.09 -3.00 -0.05 0.00 -0.52 0.00 0.00 37.83 34.16 1xrq s LYS 23 CO -0.03 -0.45 0.61 0.00 -0.92 0.00 0.00 175.35 174.56 1xrq s ALA 24 N -0.99 3.44 0.00 5.17 0.00 -1.26 -4.92 121.76 123.20 1xrq s ALA 24 Ca 0.53 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1xrq s ALA 24 Cb -0.45 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1xrq s ALA 24 CO 0.59 0.07 0.73 -2.30 0.00 0.00 0.00 175.76 174.85 1xrq n PRO 25 N 3.12 0.00 -3.14 0.00 -0.02 -1.26 -2.11 135.00 131.59 1xrq n PRO 25 Ca -0.05 0.73 -0.32 0.00 -2.02 0.00 0.00 63.50 61.84 1xrq n PRO 25 Cb 0.51 -1.14 -0.04 0.00 -0.02 0.00 0.00 33.50 32.81 1xrq n PRO 25 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1xrq n GLU 26 N -2.39 3.42 -1.78 -0.52 2.13 -1.26 -5.07 120.64 115.17 1xrq n GLU 26 Ca 0.00 -4.70 -0.40 0.00 0.66 0.00 0.00 57.16 52.72 1xrq n GLU 26 Cb 0.00 -2.33 0.01 0.00 0.27 0.00 0.00 31.44 29.39 1xrq n GLU 26 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1xrq s GLU 27 N -2.99 3.88 -0.03 5.31 -1.05 -0.90 -4.55 118.70 118.38 1xrq s GLU 27 Ca 0.40 2.53 0.09 0.00 -0.15 0.00 0.00 54.97 57.84 1xrq s GLU 27 Cb 0.16 -2.81 -0.14 0.00 -0.44 0.00 0.00 34.13 30.91 1xrq s GLU 27 CO -0.03 -0.70 0.16 1.63 0.95 0.00 0.00 175.26 177.27 1xrq n LYS 28 N 0.11 0.96 -3.51 -4.83 4.01 0.37 -4.97 118.16 110.30 1xrq n LYS 28 Ca 0.03 -0.06 -0.12 0.00 -0.51 0.00 0.00 58.31 57.64 1xrq n LYS 28 Cb 0.40 -1.23 -0.04 0.00 -0.51 0.00 0.00 35.03 33.66 1xrq n LYS 28 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1xrq s ALA 29 N -2.53 -1.40 -0.16 7.82 0.00 -1.16 -5.07 121.76 119.26 1xrq s ALA 29 Ca -0.04 0.45 -0.02 0.00 0.00 0.00 0.00 51.96 52.36 1xrq s ALA 29 Cb 0.05 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.83 1xrq s ALA 29 CO 0.38 -0.66 -0.09 0.15 0.00 0.00 0.00 175.76 175.55 1xrq s LYS 30 N -3.29 3.45 -0.17 0.00 1.02 -1.26 -0.93 119.74 118.56 1xrq s LYS 30 Ca -0.01 -0.63 -0.03 0.00 0.02 0.00 0.00 55.97 55.32 1xrq s LYS 30 Cb -0.00 -2.78 -0.02 0.00 -0.52 0.00 0.00 37.83 34.51 1xrq s LYS 30 CO -0.09 0.13 -0.04 -1.17 -0.92 0.00 0.00 175.35 173.26 1xrq s LEU 31 N 0.60 3.13 -0.10 3.17 2.96 0.27 -1.96 118.68 126.75 1xrq s LEU 31 Ca -0.06 -0.20 -0.07 0.00 -0.22 0.00 0.00 54.13 53.58 1xrq s LEU 31 Cb -0.15 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1xrq s LEU 31 CO 0.03 0.13 0.15 -0.32 -1.32 0.00 0.00 176.35 175.01 1xrq s MET 32 N 0.62 3.45 0.11 1.98 -2.45 0.11 0.49 119.30 123.59 1xrq s MET 32 Ca -0.03 -0.15 0.09 0.00 -1.25 0.00 0.00 55.69 54.36 1xrq s MET 32 Cb -0.15 -3.18 -0.04 0.00 1.25 0.00 0.00 34.83 32.72 1xrq s MET 32 CO 0.02 0.77 -0.24 0.95 1.05 0.00 0.00 175.02 177.57 1xrq s THR 33 N -1.07 1.98 -0.22 10.11 -4.23 -0.69 -0.34 115.64 121.19 1xrq s THR 33 Ca 0.17 -1.60 -0.01 0.00 -1.18 0.00 0.00 61.69 59.07 1xrq s THR 33 Cb -0.12 -1.77 0.06 0.00 1.34 0.00 0.00 72.50 72.01 1xrq s THR 33 CO 0.06 0.06 -0.02 -0.04 -0.54 0.00 0.00 174.62 174.14 1xrq s MET 34 N -1.87 1.27 0.86 3.99 -1.94 0.67 -4.52 119.30 117.77 1xrq s MET 34 Ca 0.10 -0.76 -0.11 0.00 -1.71 0.00 0.00 55.69 53.21 1xrq s MET 34 Cb -0.10 -2.39 0.11 0.00 2.01 0.00 0.00 34.83 34.46 1xrq s MET 34 CO 0.05 -0.60 1.09 -3.38 -0.01 0.00 0.00 175.02 172.17 1xrq s HIS 35 N 1.57 2.31 0.00 -0.03 -3.43 -1.26 -1.36 115.29 113.08 1xrq s HIS 35 Ca -0.04 1.41 0.00 0.00 -0.80 0.00 0.00 55.06 55.63 1xrq s HIS 35 Cb -0.18 -3.13 0.00 0.00 -1.43 0.00 0.00 32.58 27.84 1xrq s HIS 35 CO -0.07 -2.28 0.00 0.41 -2.00 0.00 0.00 174.74 170.80 1xrq n GLY 36 N -0.96 1.10 0.00 -1.38 0.00 -0.97 -2.74 105.19 100.24 1xrq n GLY 36 Ca 0.08 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1xrq n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xrq n GLY 37 N 5.00 1.37 3.78 -0.02 0.00 -1.26 -3.60 105.19 110.46 1xrq n GLY 37 Ca 0.00 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 1xrq n GLY 37 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xrq s PRO 38 N 0.00 3.83 0.00 1.61 0.04 -1.26 -4.69 135.00 134.53 1xrq s PRO 38 Ca 0.00 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1xrq s PRO 38 Cb 0.00 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1xrq s PRO 38 CO 0.00 -0.44 0.00 0.41 0.04 0.00 0.00 177.00 177.01 1xrq n GLY 39 N 0.18 1.89 0.00 0.56 0.00 -1.24 -2.63 105.19 103.95 1xrq n GLY 39 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1xrq n GLY 39 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xrq n MET 40 N -0.52 0.00 -3.83 1.61 2.81 -1.24 -3.10 117.12 112.84 1xrq n MET 40 Ca 0.00 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.83 1xrq n MET 40 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.50 1xrq n MET 40 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1xrq s SER 41 N 0.05 -0.21 0.45 7.83 1.04 -1.26 -2.17 113.70 119.42 1xrq s SER 41 Ca 0.00 -0.61 0.24 0.00 0.48 0.00 0.00 55.95 56.07 1xrq s SER 41 Cb 0.00 0.68 0.99 0.00 0.10 0.00 0.00 66.02 67.79 1xrq s SER 41 CO 0.00 -1.27 1.86 1.12 0.98 0.00 0.00 173.24 175.93 1xrq h HIS 42 N 2.00 0.00 -0.82 5.02 2.07 -1.98 -3.33 115.15 118.11 1xrq h HIS 42 Ca -0.21 0.00 0.24 0.00 -2.85 0.00 0.00 60.37 57.54 1xrq h HIS 42 Cb 1.24 0.00 -0.15 0.00 2.57 0.00 0.00 27.41 31.07 1xrq h HIS 42 CO 0.51 0.21 0.06 -0.25 -3.07 0.00 0.00 177.93 175.40 1xrq n ASP 43 N -3.42 -0.06 -0.06 3.10 8.00 -1.26 0.87 116.55 123.72 1xrq n ASP 43 Ca -0.00 1.39 0.07 0.00 0.71 0.00 0.00 54.79 56.95 1xrq n ASP 43 Cb 0.41 -0.52 0.37 0.00 -0.02 0.00 0.00 41.12 41.35 1xrq n ASP 43 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xrq n TYR 44 N -5.14 0.03 0.35 1.24 4.11 -1.23 -2.85 117.16 113.67 1xrq n TYR 44 Ca 0.20 -0.01 0.06 0.00 -0.00 0.00 0.00 57.90 58.15 1xrq n TYR 44 Cb 0.67 0.00 0.07 0.00 -0.00 0.00 0.00 39.34 40.08 1xrq n TYR 44 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1xrq n LEU 45 N -0.59 2.18 0.21 -3.48 4.77 0.25 -4.62 117.00 115.72 1xrq n LEU 45 Ca 0.10 -1.21 0.13 0.00 -0.03 0.00 0.00 56.01 55.00 1xrq n LEU 45 Cb 0.07 -0.05 0.67 0.00 -2.33 0.00 0.00 43.42 41.78 1xrq n LEU 45 CO 0.08 0.45 0.91 -0.07 -1.33 0.00 0.00 177.39 177.43 1xrq h LEU 46 N 2.25 0.00 -1.41 2.23 3.38 -1.52 -1.53 115.31 118.71 1xrq h LEU 46 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1xrq h LEU 46 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1xrq h LEU 46 CO 0.00 0.00 -0.29 0.77 0.09 0.00 0.00 178.44 179.01 1xrq h SER 47 N 0.00 0.00 0.26 -0.43 4.64 -1.86 -1.52 113.55 114.64 1xrq h SER 47 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xrq h SER 47 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1xrq h SER 47 CO 0.00 0.29 0.00 0.18 -0.87 0.00 0.00 176.83 176.43 1xrq n LEU 48 N -3.97 0.00 0.24 5.97 4.32 -0.58 -2.53 117.00 120.46 1xrq n LEU 48 Ca -0.02 0.46 0.07 0.00 -0.02 0.00 0.00 56.01 56.51 1xrq n LEU 48 Cb 0.36 -0.46 0.61 0.00 -1.62 0.00 0.00 43.42 42.31 1xrq n LEU 48 CO 0.36 -0.33 1.06 -0.09 -1.22 0.00 0.00 177.39 177.17 1xrq h ARG 49 N 0.00 0.03 -0.83 3.23 2.43 -1.46 -1.46 114.38 116.32 1xrq h ARG 49 Ca 0.00 -0.00 0.24 0.00 -0.81 0.00 0.00 59.98 59.41 1xrq h ARG 49 Cb 0.13 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1xrq h ARG 49 CO 0.00 0.04 0.60 -0.44 -1.51 0.00 0.00 179.97 178.66 1xrq h ASP 50 N 0.03 0.00 0.12 -3.80 3.45 -1.71 0.12 116.42 114.63 1xrq h ASP 50 Ca 0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.47 1xrq h ASP 50 Cb 0.03 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.80 1xrq h ASP 50 CO 0.00 0.00 0.00 0.23 -1.57 0.00 0.00 179.24 177.90 1xrq n MET 51 N -4.27 0.10 0.22 3.56 2.81 -0.55 -0.84 117.12 118.15 1xrq n MET 51 Ca 0.17 0.22 0.14 0.00 -1.81 0.00 0.00 57.70 56.41 1xrq n MET 51 Cb 0.90 -1.50 0.38 0.00 -0.71 0.00 0.00 33.22 32.30 1xrq n MET 51 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1xrq h THR 52 N 0.00 0.00 0.00 2.03 1.35 -0.68 -1.60 112.91 114.01 1xrq h THR 52 Ca 0.00 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 1xrq h THR 52 Cb 0.06 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1xrq h THR 52 CO 0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 1xrq n LYS 53 N -2.93 0.15 -0.71 4.72 5.02 -0.02 -2.35 118.16 122.04 1xrq n LYS 53 Ca 0.03 0.23 0.06 0.00 -2.02 0.00 0.00 58.31 56.61 1xrq n LYS 53 Cb 0.43 -1.71 0.33 0.00 -0.02 0.00 0.00 35.03 34.05 1xrq n LYS 53 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xrq n GLU 54 N -1.98 3.81 -2.67 1.97 -0.58 -0.84 -4.92 120.64 115.43 1xrq n GLU 54 Ca 0.05 -3.02 -0.13 0.00 -0.42 0.00 0.00 57.16 53.64 1xrq n GLU 54 Cb 0.32 -2.07 0.02 0.00 -0.57 0.00 0.00 31.44 29.14 1xrq n GLU 54 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xrq n GLY 55 N -0.02 -0.00 3.09 0.62 0.00 -0.99 -4.79 105.19 103.09 1xrq n GLY 55 Ca 0.27 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1xrq n GLY 55 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xrq s ILE 56 N -2.88 2.05 -0.00 -0.61 1.01 -0.66 0.14 121.20 120.24 1xrq s ILE 56 Ca 0.16 -1.21 -0.30 0.00 0.00 0.00 0.00 60.65 59.31 1xrq s ILE 56 Cb -0.07 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 1xrq s ILE 56 CO 0.20 0.29 0.99 -0.89 0.00 0.00 0.00 174.94 175.53 1xrq s THR 57 N 1.23 4.83 -0.19 2.92 2.01 -0.10 -3.08 115.64 123.26 1xrq s THR 57 Ca -0.01 2.03 -0.03 0.00 0.31 0.00 0.00 61.69 63.99 1xrq s THR 57 Cb -0.16 -4.30 -0.01 0.00 0.01 0.00 0.00 72.50 68.03 1xrq s THR 57 CO -0.09 0.15 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.24 1xrq s VAL 58 N 1.08 3.41 -0.38 3.82 1.01 -1.10 0.98 120.40 129.22 1xrq s VAL 58 Ca 0.52 -0.50 -0.15 0.00 0.00 0.00 0.00 61.98 61.85 1xrq s VAL 58 Cb -0.21 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1xrq s VAL 58 CO 0.27 0.45 0.33 -0.22 0.00 0.00 0.00 175.10 175.93 1xrq s LEU 59 N 1.07 4.78 0.03 3.92 2.96 0.18 -2.05 118.68 129.57 1xrq s LEU 59 Ca 0.01 -0.60 -0.01 0.00 -0.22 0.00 0.00 54.13 53.31 1xrq s LEU 59 Cb -0.15 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.26 1xrq s LEU 59 CO -0.00 -0.40 0.18 -0.36 -1.32 0.00 0.00 176.35 174.44 1xrq s PHE 60 N 1.86 3.49 -0.19 5.38 0.08 0.16 -1.70 117.98 127.05 1xrq s PHE 60 Ca 0.08 0.27 -0.29 0.00 0.12 0.00 0.00 56.93 57.12 1xrq s PHE 60 Cb -0.18 -1.77 0.13 0.00 -0.57 0.00 0.00 43.02 40.63 1xrq s PHE 60 CO 0.11 0.60 1.02 1.52 -0.10 0.00 0.00 175.22 178.38 1xrq s TYR 61 N -1.41 -0.38 -0.22 0.36 1.13 -1.26 0.12 117.35 115.69 1xrq s TYR 61 Ca 0.31 0.74 -0.18 0.00 -1.41 0.00 0.00 57.07 56.53 1xrq s TYR 61 Cb -0.13 0.43 -0.03 0.00 -1.10 0.00 0.00 41.96 41.13 1xrq s TYR 61 CO 0.23 -0.30 0.49 -0.51 -2.51 0.00 0.00 175.55 172.95 1xrq s ASP 62 N -0.77 6.49 1.04 -0.18 -0.00 -0.72 -4.34 116.67 118.20 1xrq s ASP 62 Ca -0.00 0.59 -0.13 0.00 -0.00 0.00 0.00 52.55 53.01 1xrq s ASP 62 Cb -0.02 -2.28 0.21 0.00 -0.00 0.00 0.00 42.92 40.84 1xrq s ASP 62 CO -0.01 -0.20 1.08 -1.10 -0.00 0.00 0.00 175.17 174.95 1xrq s GLN 63 N 1.80 0.08 0.13 8.23 -0.21 -1.26 -4.35 119.66 124.08 1xrq s GLN 63 Ca 0.22 0.57 -0.34 0.00 0.02 0.00 0.00 55.36 55.84 1xrq s GLN 63 Cb -0.15 -1.69 -0.17 0.00 1.00 0.00 0.00 33.01 31.99 1xrq s GLN 63 CO 0.09 -2.98 1.03 1.97 -2.12 0.00 0.00 175.29 173.28 1xrq n PHE 64 N -4.36 0.82 -0.97 0.91 -1.74 -1.26 -0.47 117.46 110.40 1xrq n PHE 64 Ca 0.05 0.82 0.00 0.00 -0.56 0.00 0.00 57.45 57.76 1xrq n PHE 64 Cb 0.57 -2.18 0.00 0.00 1.52 0.00 0.00 39.48 39.39 1xrq n PHE 64 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1xrq n GLY 65 N 1.90 0.11 3.72 4.97 0.00 0.13 -4.89 105.19 111.12 1xrq n GLY 65 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1xrq n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xrq n GLY 67 N -0.29 1.72 0.98 0.00 0.00 -0.92 -0.03 105.19 106.65 1xrq n GLY 67 Ca -0.09 0.58 0.09 0.00 0.00 0.00 0.00 46.02 46.60 1xrq n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xrq n ARG 68 N 0.00 2.47 -3.23 1.61 1.74 -1.26 -4.99 116.66 112.99 1xrq n ARG 68 Ca 0.00 -2.21 -0.28 0.00 -0.77 0.00 0.00 57.85 54.59 1xrq n ARG 68 Cb 0.00 -1.43 -0.03 0.00 -1.02 0.00 0.00 32.46 29.99 1xrq n ARG 68 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1xrq s SER 69 N -1.15 6.43 0.62 0.55 0.01 0.95 -4.58 113.70 116.53 1xrq s SER 69 Ca 0.34 0.76 -0.18 0.00 1.31 0.00 0.00 55.95 58.19 1xrq s SER 69 Cb 0.19 -2.16 -0.02 0.00 0.21 0.00 0.00 66.02 64.23 1xrq s SER 69 CO 0.26 -0.26 1.17 -0.70 0.41 0.00 0.00 173.24 174.12 1xrq s GLU 70 N -3.73 2.89 -0.20 12.44 2.12 0.22 -4.11 118.70 128.32 1xrq s GLU 70 Ca 0.45 1.69 -0.12 0.00 0.36 0.00 0.00 54.97 57.35 1xrq s GLU 70 Cb -0.10 -1.93 -0.05 0.00 0.26 0.00 0.00 34.13 32.30 1xrq s GLU 70 CO 0.32 -1.24 0.21 -2.00 -0.54 0.00 0.00 175.26 172.01 1xrq s GLU 71 N -3.55 4.17 0.81 4.30 2.12 -1.26 0.17 118.70 125.46 1xrq s GLU 71 Ca 0.74 -0.11 -0.09 0.00 0.36 0.00 0.00 54.97 55.88 1xrq s GLU 71 Cb -0.27 -3.47 0.18 0.00 0.26 0.00 0.00 34.13 30.83 1xrq s GLU 71 CO 0.35 0.18 1.10 -0.35 -0.54 0.00 0.00 175.26 176.00 1xrq n PRO 72 N 3.86 -0.70 -1.74 4.30 -0.04 -1.26 -4.86 135.00 134.56 1xrq n PRO 72 Ca -0.14 -2.19 -0.42 0.00 -0.04 0.00 0.00 63.50 60.71 1xrq n PRO 72 Cb 0.52 -0.98 -0.03 0.00 -0.04 0.00 0.00 33.50 32.97 1xrq n PRO 72 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xrq s ASP 73 N -5.20 6.41 0.25 3.54 2.15 -1.26 -4.81 116.67 117.76 1xrq s ASP 73 Ca 0.66 2.81 0.08 0.00 0.43 0.00 0.00 52.55 56.53 1xrq s ASP 73 Cb -0.03 -2.59 0.43 0.00 -0.30 0.00 0.00 42.92 40.44 1xrq s ASP 73 CO 0.46 -0.98 1.07 1.67 -0.17 0.00 0.00 175.17 177.22 1xrq n GLN 74 N 4.67 0.06 0.17 4.34 7.27 -1.26 0.18 117.38 132.81 1xrq n GLN 74 Ca 0.16 0.47 0.06 0.00 0.07 0.00 0.00 57.00 57.76 1xrq n GLN 74 Cb 0.37 -2.05 0.12 0.00 2.41 0.00 0.00 30.24 31.09 1xrq n GLN 74 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1xrq h SER 75 N 0.00 0.00 -0.25 1.69 4.64 -2.04 -3.10 113.55 114.48 1xrq h SER 75 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xrq h SER 75 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1xrq h SER 75 CO 0.00 0.36 0.00 0.29 -0.87 0.00 0.00 176.83 176.61 1xrq n LYS 76 N -3.23 1.82 -1.09 4.77 5.02 0.49 -4.55 118.16 121.38 1xrq n LYS 76 Ca 0.02 -1.25 -0.32 0.00 -2.02 0.00 0.00 58.31 54.74 1xrq n LYS 76 Cb 0.65 -1.37 -0.02 0.00 -0.02 0.00 0.00 35.03 34.27 1xrq n LYS 76 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xrq n PHE 77 N 0.48 2.03 -4.33 2.13 0.99 -1.17 -4.69 117.46 112.89 1xrq n PHE 77 Ca 0.15 -2.55 -0.19 0.00 -0.00 0.00 0.00 57.45 54.86 1xrq n PHE 77 Cb 0.34 -2.12 -0.10 0.00 -1.00 0.00 0.00 39.48 36.60 1xrq n PHE 77 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1xrq s THR 78 N 2.90 1.71 0.12 4.37 -4.23 -1.26 -4.94 115.64 114.31 1xrq s THR 78 Ca 0.55 -2.11 -0.16 0.00 -1.18 0.00 0.00 61.69 58.79 1xrq s THR 78 Cb 0.14 -1.96 -0.02 0.00 1.34 0.00 0.00 72.50 72.00 1xrq s THR 78 CO -0.04 -0.53 1.60 0.40 -0.54 0.00 0.00 174.62 175.51 1xrq h ILE 79 N 2.77 1.24 -0.41 2.99 2.04 -2.00 -2.14 117.51 122.00 1xrq h ILE 79 Ca -0.39 -0.84 0.12 0.00 1.00 0.00 0.00 64.86 64.74 1xrq h ILE 79 Cb 1.22 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 1xrq h ILE 79 CO 0.59 0.29 0.34 0.44 0.00 0.00 0.00 178.15 179.80 1xrq h ASP 80 N 0.47 0.00 -0.00 1.72 3.45 -1.96 0.29 116.42 120.38 1xrq h ASP 80 Ca 0.12 0.00 -0.23 0.00 0.43 0.00 0.00 57.03 57.35 1xrq h ASP 80 Cb 0.36 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.14 1xrq h ASP 80 CO 0.01 0.00 -0.84 0.22 -1.57 0.00 0.00 179.24 177.06 1xrq h TYR 81 N 0.00 0.94 -0.84 4.55 3.20 -1.67 -2.65 116.97 120.50 1xrq h TYR 81 Ca 0.19 -0.44 -0.01 0.00 3.14 0.00 0.00 58.73 61.61 1xrq h TYR 81 Cb 0.86 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.96 1xrq h TYR 81 CO 0.00 1.26 0.48 0.78 -1.64 0.00 0.00 178.16 179.04 1xrq h GLY 82 N 0.72 1.23 0.70 1.82 0.00 -0.13 -0.13 103.07 107.28 1xrq h GLY 82 Ca -0.07 -0.54 0.03 0.00 0.00 0.00 0.00 47.33 46.75 1xrq h GLY 82 CO 0.16 0.52 -0.03 -2.08 0.00 0.00 0.00 176.54 175.12 1xrq h VAL 83 N 1.16 0.85 -0.70 4.60 2.07 -1.16 0.33 116.25 123.39 1xrq h VAL 83 Ca 0.30 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.77 1xrq h VAL 83 Cb -0.00 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1xrq h VAL 83 CO -0.05 0.00 0.29 -0.33 0.02 0.00 0.00 177.57 177.50 1xrq h GLU 84 N 0.02 1.05 0.06 1.57 4.39 -1.10 -0.21 114.58 120.36 1xrq h GLU 84 Ca 0.08 -0.19 0.01 0.00 0.34 0.00 0.00 59.36 59.60 1xrq h GLU 84 Cb 0.11 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1xrq h GLU 84 CO -0.15 0.86 -0.08 1.49 -1.16 0.00 0.00 179.01 179.97 1xrq h GLU 85 N 1.00 -0.16 -0.14 2.33 4.81 -0.46 0.32 114.58 122.30 1xrq h GLU 85 Ca 0.24 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.52 1xrq h GLU 85 Cb 0.20 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.56 1xrq h GLU 85 CO -0.02 -0.11 -0.24 0.00 -0.73 0.00 0.00 179.01 177.92 1xrq h ALA 86 N 0.77 -0.21 -0.46 2.92 0.00 0.12 0.11 119.26 122.51 1xrq h ALA 86 Ca 0.01 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1xrq h ALA 86 Cb 0.17 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1xrq h ALA 86 CO -0.04 -0.69 0.28 1.49 0.00 0.00 0.00 179.25 180.28 1xrq h GLU 87 N -0.30 0.54 -0.48 0.00 4.57 -0.91 0.50 114.58 118.52 1xrq h GLU 87 Ca 0.10 -0.03 0.08 0.00 -1.18 0.00 0.00 59.36 58.33 1xrq h GLU 87 Cb 0.45 -0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 28.85 1xrq h GLU 87 CO -0.31 0.36 0.11 0.00 -1.18 0.00 0.00 179.01 177.99 1xrq h ALA 88 N 1.20 0.54 -0.34 2.92 0.00 -0.27 0.34 119.26 123.65 1xrq h ALA 88 Ca 0.18 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1xrq h ALA 88 Cb 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1xrq h ALA 88 CO -0.08 -0.29 0.07 1.25 0.00 0.00 0.00 179.25 180.20 1xrq h LEU 89 N 0.25 0.52 -0.37 0.00 5.85 -0.24 0.15 115.31 121.48 1xrq h LEU 89 Ca 0.24 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.76 1xrq h LEU 89 Cb 0.30 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1xrq h LEU 89 CO -0.29 0.63 0.11 -0.09 -0.34 0.00 0.00 178.44 178.45 1xrq h ARG 90 N 0.40 0.24 -0.35 1.25 2.43 -0.26 0.24 114.38 118.32 1xrq h ARG 90 Ca 0.11 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.15 1xrq h ARG 90 Cb 0.32 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1xrq h ARG 90 CO 0.00 0.16 -0.20 1.03 -1.51 0.00 0.00 179.97 179.45 1xrq h SER 91 N 0.25 0.79 0.04 -3.80 0.87 -0.86 0.85 113.55 111.68 1xrq h SER 91 Ca 0.17 -0.42 -0.01 0.00 -1.23 0.00 0.00 61.79 60.30 1xrq h SER 91 Cb 0.17 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1xrq h SER 91 CO -0.19 1.04 -0.03 0.50 -0.53 0.00 0.00 176.83 177.61 1xrq h LYS 92 N 0.55 0.00 0.00 2.24 3.64 -0.08 0.54 116.57 123.46 1xrq h LYS 92 Ca 0.08 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.13 1xrq h LYS 92 Cb 0.75 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.51 1xrq h LYS 92 CO 0.06 0.03 -2.22 1.28 -2.27 0.00 0.00 179.45 176.33 1xrq n LEU 93 N -4.41 0.86 0.00 5.20 4.77 0.02 -4.68 117.00 118.75 1xrq n LEU 93 Ca -0.03 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1xrq n LEU 93 Cb 0.12 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1xrq n LEU 93 CO 0.34 0.56 0.44 0.49 -1.33 0.00 0.00 177.39 177.89 1xrq n PHE 94 N -2.79 0.00 0.00 -1.77 3.72 0.29 -5.06 117.46 111.85 1xrq n PHE 94 Ca -0.32 -0.39 0.00 0.00 -0.05 0.00 0.00 57.45 56.70 1xrq n PHE 94 Cb 1.03 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.53 1xrq n PHE 94 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xrq n GLY 95 N -0.39 0.30 0.63 1.37 0.00 0.19 -1.27 105.19 106.02 1xrq n GLY 95 Ca 0.00 0.59 0.05 0.00 0.00 0.00 0.00 46.02 46.66 1xrq n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xrq n ASN 96 N 3.86 1.31 -4.76 1.61 3.02 -1.26 -4.28 115.26 114.76 1xrq n ASN 96 Ca 0.00 -2.79 -0.40 0.00 -0.03 0.00 0.00 54.58 51.36 1xrq n ASN 96 Cb 0.00 -0.37 -0.05 0.00 -0.61 0.00 0.00 39.78 38.75 1xrq n ASN 96 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1xrq s GLU 97 N -1.63 4.53 0.05 3.52 2.12 -0.39 -5.03 118.70 121.86 1xrq s GLU 97 Ca 0.26 1.11 -0.29 0.00 0.36 0.00 0.00 54.97 56.41 1xrq s GLU 97 Cb 0.26 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 31.29 1xrq s GLU 97 CO -0.05 0.41 0.94 0.15 -0.54 0.00 0.00 175.26 176.18 1xrq s LYS 98 N -0.55 4.61 0.34 4.30 1.02 -1.26 -4.90 119.74 123.30 1xrq s LYS 98 Ca 0.37 1.38 0.03 0.00 0.02 0.00 0.00 55.97 57.78 1xrq s LYS 98 Cb -0.22 -3.41 -0.05 0.00 -0.52 0.00 0.00 37.83 33.63 1xrq s LYS 98 CO 0.24 0.10 0.09 0.14 -0.92 0.00 0.00 175.35 175.01 1xrq s VAL 99 N 0.46 0.84 -0.05 3.17 -7.23 0.74 -4.61 120.40 113.73 1xrq s VAL 99 Ca 0.48 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.48 1xrq s VAL 99 Cb -0.22 -2.60 -0.05 0.00 0.56 0.00 0.00 36.38 34.07 1xrq s VAL 99 CO 0.28 0.00 0.46 -0.36 -0.31 0.00 0.00 175.10 175.17 1xrq s PHE 100 N -3.36 3.63 -0.17 2.82 0.08 -0.83 -0.28 117.98 119.88 1xrq s PHE 100 Ca 0.32 0.98 -0.02 0.00 0.12 0.00 0.00 56.93 58.33 1xrq s PHE 100 Cb 0.06 -2.45 -0.01 0.00 -0.57 0.00 0.00 43.02 40.05 1xrq s PHE 100 CO 0.15 0.40 -0.09 -1.17 -0.10 0.00 0.00 175.22 174.42 1xrq s LEU 101 N -0.25 2.86 -0.10 -0.37 2.96 -0.23 0.05 118.68 123.61 1xrq s LEU 101 Ca 0.25 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 1xrq s LEU 101 Cb -0.16 -1.68 0.01 0.00 0.50 0.00 0.00 46.19 44.85 1xrq s LEU 101 CO 0.13 0.10 -0.20 -0.32 -1.32 0.00 0.00 176.35 174.73 1xrq s MET 102 N 0.74 2.68 0.10 1.98 -2.45 0.54 0.59 119.30 123.47 1xrq s MET 102 Ca -0.04 -0.75 0.07 0.00 -1.25 0.00 0.00 55.69 53.73 1xrq s MET 102 Cb -0.15 -2.08 -0.03 0.00 1.25 0.00 0.00 34.83 33.81 1xrq s MET 102 CO 0.02 0.10 -0.18 0.20 1.05 0.00 0.00 175.02 176.20 1xrq s GLY 103 N 0.53 1.15 -0.12 2.11 0.00 0.32 -0.24 107.32 111.08 1xrq s GLY 103 Ca -0.15 -1.22 0.01 0.00 0.00 0.00 0.00 44.72 43.36 1xrq s GLY 103 CO 0.06 -1.24 -0.14 -0.45 0.00 0.00 0.00 173.10 171.33 1xrq s SER 104 N -2.00 2.44 1.85 1.64 0.15 -0.47 -1.27 113.70 116.05 1xrq s SER 104 Ca 0.06 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.28 1xrq s SER 104 Cb -0.09 -1.08 0.00 0.00 -1.71 0.00 0.00 66.02 63.14 1xrq s SER 104 CO 0.04 -0.01 0.00 -0.24 1.20 0.00 0.00 173.24 174.23 1xrq n SER 105 N 4.36 0.00 -0.34 5.45 2.88 0.67 -0.27 113.62 126.37 1xrq n SER 105 Ca -0.18 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.42 1xrq n SER 105 Cb 0.51 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 64.21 1xrq n SER 105 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1xrq h TYR 106 N 0.00 1.10 -0.77 0.66 5.03 -1.84 0.32 116.97 121.48 1xrq h TYR 106 Ca 0.00 0.03 0.11 0.00 2.58 0.00 0.00 58.73 61.45 1xrq h TYR 106 Cb 0.00 -0.35 -0.08 0.00 1.55 0.00 0.00 36.73 37.85 1xrq h TYR 106 CO 0.00 0.48 0.40 0.78 -1.32 0.00 0.00 178.16 178.50 1xrq h GLY 107 N 1.00 1.20 0.98 1.82 0.00 -0.43 0.28 103.07 107.92 1xrq h GLY 107 Ca 0.46 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 1xrq h GLY 107 CO -0.22 0.04 -0.27 -1.33 0.00 0.00 0.00 176.54 174.76 1xrq h GLY 108 N 0.64 -0.77 0.11 4.60 0.00 -0.40 0.28 103.07 107.52 1xrq h GLY 108 Ca 0.39 0.29 0.13 0.00 0.00 0.00 0.00 47.33 48.15 1xrq h GLY 108 CO -0.30 -0.28 0.18 0.00 0.00 0.00 0.00 176.54 176.14 1xrq h ALA 109 N -0.27 0.85 -0.94 3.60 0.00 -0.44 0.15 119.26 122.22 1xrq h ALA 109 Ca -0.07 0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1xrq h ALA 109 Cb 0.57 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1xrq h ALA 109 CO 0.11 -0.29 0.61 1.25 0.00 0.00 0.00 179.25 180.92 1xrq h LEU 110 N 0.30 1.00 -0.09 0.00 5.85 0.01 -2.18 115.31 120.22 1xrq h LEU 110 Ca 0.36 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.08 1xrq h LEU 110 Cb 0.56 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 1xrq h LEU 110 CO -0.43 0.68 0.05 0.00 -0.34 0.00 0.00 178.44 178.40 1xrq h ALA 111 N 1.39 0.11 -0.15 1.25 0.00 0.22 -1.52 119.26 120.55 1xrq h ALA 111 Ca 0.38 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.31 1xrq h ALA 111 Cb 0.03 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1xrq h ALA 111 CO -0.13 -0.37 -0.28 -0.07 0.00 0.00 0.00 179.25 178.40 1xrq h LEU 112 N 0.08 -0.88 -1.02 0.00 3.38 -0.48 0.30 115.31 116.68 1xrq h LEU 112 Ca 0.03 0.14 0.19 0.00 0.09 0.00 0.00 57.88 58.33 1xrq h LEU 112 Cb 0.04 0.39 -0.11 0.00 0.09 0.00 0.00 40.66 41.07 1xrq h LEU 112 CO -0.01 -0.32 0.61 0.00 0.09 0.00 0.00 178.44 178.81 1xrq h ALA 113 N 0.56 1.69 0.16 1.53 0.00 -1.25 0.90 119.26 122.86 1xrq h ALA 113 Ca 0.11 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1xrq h ALA 113 Cb 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1xrq h ALA 113 CO -0.35 -0.07 -0.08 -0.92 0.00 0.00 0.00 179.25 177.84 1xrq h TYR 114 N 0.75 -0.20 -0.64 0.00 3.20 0.20 -3.18 116.97 117.09 1xrq h TYR 114 Ca 0.58 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.55 1xrq h TYR 114 Cb 0.93 0.07 -0.07 0.00 1.54 0.00 0.00 36.73 39.19 1xrq h TYR 114 CO -0.00 0.09 0.25 0.00 -1.64 0.00 0.00 178.16 176.85 1xrq h ALA 115 N 0.29 0.84 -0.86 1.82 0.00 0.11 0.72 119.26 122.17 1xrq h ALA 115 Ca -0.02 0.08 0.23 0.00 0.00 0.00 0.00 54.91 55.20 1xrq h ALA 115 Cb 0.38 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1xrq h ALA 115 CO 0.04 -0.18 0.60 0.28 0.00 0.00 0.00 179.25 179.99 1xrq h VAL 116 N 0.43 0.61 0.00 0.00 2.07 -0.88 0.14 116.25 118.62 1xrq h VAL 116 Ca 0.32 -0.04 -0.31 0.00 0.82 0.00 0.00 66.70 67.49 1xrq h VAL 116 Cb 0.40 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1xrq h VAL 116 CO -0.31 0.02 -2.17 1.17 0.02 0.00 0.00 177.57 176.29 1xrq n LYS 117 N -4.35 0.56 -1.20 1.57 4.81 0.04 -4.73 118.16 114.85 1xrq n LYS 117 Ca 0.18 0.11 -0.04 0.00 -0.87 0.00 0.00 58.31 57.69 1xrq n LYS 117 Cb 0.85 -1.41 0.13 0.00 0.02 0.00 0.00 35.03 34.62 1xrq n LYS 117 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1xrq n TYR 118 N -3.08 0.94 0.28 5.64 4.01 0.23 -4.78 117.16 120.40 1xrq n TYR 118 Ca -0.36 -1.69 0.17 0.00 -0.16 0.00 0.00 57.90 55.86 1xrq n TYR 118 Cb 0.90 -0.27 0.92 0.00 -0.31 0.00 0.00 39.34 40.58 1xrq n TYR 118 CO 0.00 0.00 0.00 -0.56 -0.46 0.00 0.00 176.86 175.84 1xrq h GLN 119 N 1.44 0.00 -0.22 -0.72 3.07 -0.85 -1.32 115.11 116.52 1xrq h GLN 119 Ca 0.10 0.00 0.03 0.00 0.09 0.00 0.00 58.65 58.87 1xrq h GLN 119 Cb 1.24 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.78 1xrq h GLN 119 CO 0.26 0.00 0.05 -0.44 0.09 0.00 0.00 178.83 178.79 1xrq h ASP 120 N 0.00 0.04 0.00 0.06 3.32 -1.86 -0.70 116.42 117.28 1xrq h ASP 120 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1xrq h ASP 120 Cb 0.19 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1xrq h ASP 120 CO 0.00 0.05 0.00 1.41 -1.72 0.00 0.00 179.24 178.98 1xrq n HIS 121 N -5.07 0.00 -4.47 4.55 8.25 -0.50 -4.69 115.22 113.30 1xrq n HIS 121 Ca -0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.10 1xrq n HIS 121 Cb 0.09 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.06 1xrq n HIS 121 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xrq s LEU 122 N -1.50 2.79 0.24 2.41 1.43 -0.27 -0.18 118.68 123.60 1xrq s LEU 122 Ca 0.12 -0.34 0.20 0.00 -1.03 0.00 0.00 54.13 53.07 1xrq s LEU 122 Cb 0.05 -1.66 0.06 0.00 0.03 0.00 0.00 46.19 44.68 1xrq s LEU 122 CO 0.09 0.11 1.21 0.11 0.23 0.00 0.00 176.35 178.10 1xrq h LYS 123 N 7.15 0.00 -1.91 1.70 1.57 -0.90 -3.45 116.57 120.72 1xrq h LYS 123 Ca -0.32 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 58.65 1xrq h LYS 123 Cb 1.19 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.35 1xrq h LYS 123 CO 0.58 0.16 0.64 0.20 -0.57 0.00 0.00 179.45 180.46 1xrq s GLY 124 N -4.44 -0.37 -0.00 3.86 0.00 -1.25 -4.33 107.32 100.79 1xrq s GLY 124 Ca 0.02 1.11 0.03 0.00 0.00 0.00 0.00 44.72 45.88 1xrq s GLY 124 CO 0.76 0.35 -0.11 -2.27 0.00 0.00 0.00 173.10 171.83 1xrq s LEU 125 N -2.46 2.03 -0.10 0.66 2.96 0.16 -1.06 118.68 120.86 1xrq s LEU 125 Ca 0.08 -0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 53.77 1xrq s LEU 125 Cb -0.00 -0.56 0.03 0.00 0.50 0.00 0.00 46.19 46.15 1xrq s LEU 125 CO -0.06 0.12 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.42 1xrq s ILE 126 N -0.31 0.80 -0.23 6.68 1.01 0.20 -0.22 121.20 129.13 1xrq s ILE 126 Ca 0.04 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.56 1xrq s ILE 126 Cb -0.05 -0.87 0.04 0.00 0.01 0.00 0.00 42.46 41.60 1xrq s ILE 126 CO -0.00 0.33 -0.14 -0.69 0.00 0.00 0.00 174.94 174.44 1xrq s VAL 127 N 1.78 2.21 -0.20 2.92 1.01 -0.15 -0.52 120.40 127.44 1xrq s VAL 127 Ca 0.05 -1.33 -0.02 0.00 0.00 0.00 0.00 61.98 60.68 1xrq s VAL 127 Cb -0.12 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.11 1xrq s VAL 127 CO -0.07 0.20 -0.11 -0.44 0.00 0.00 0.00 175.10 174.68 1xrq s SER 128 N 1.19 3.82 -2.00 3.32 0.01 -0.40 -0.96 113.70 118.68 1xrq s SER 128 Ca -0.03 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.74 1xrq s SER 128 Cb -0.17 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.43 1xrq s SER 128 CO -0.08 0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1xrq n GLY 129 N 4.63 1.10 3.03 3.44 0.00 -0.63 -0.24 105.19 116.52 1xrq n GLY 129 Ca -0.19 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 1xrq n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xrq n GLY 130 N -0.67 -1.72 3.49 -0.02 0.00 -1.26 -2.86 105.19 102.14 1xrq n GLY 130 Ca -0.22 -1.65 -0.16 0.00 0.00 0.00 0.00 46.02 43.99 1xrq n GLY 130 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1xrq s LEU 131 N 0.00 -0.62 0.00 0.99 0.05 -1.26 -4.62 118.68 113.23 1xrq s LEU 131 Ca 0.60 0.52 0.12 0.00 0.05 0.00 0.00 54.13 55.42 1xrq s LEU 131 Cb -0.02 2.54 -0.09 0.00 -2.05 0.00 0.00 46.19 46.56 1xrq s LEU 131 CO 0.43 -0.70 0.56 -1.54 -0.55 0.00 0.00 176.35 174.54 1xrq n SER 132 N 0.58 0.78 -3.68 1.48 3.41 -1.26 -3.98 113.62 110.95 1xrq n SER 132 Ca -0.18 -0.89 -0.10 0.00 -0.26 0.00 0.00 58.87 57.43 1xrq n SER 132 Cb 0.59 0.85 -0.10 0.00 -0.26 0.00 0.00 64.21 65.28 1xrq n SER 132 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1xrq s SER 133 N -1.95 -0.40 0.09 4.04 0.15 -1.26 -1.10 113.70 113.28 1xrq s SER 133 Ca 0.06 0.92 -0.14 0.00 0.70 0.00 0.00 55.95 57.50 1xrq s SER 133 Cb 0.09 0.97 -0.14 0.00 -1.71 0.00 0.00 66.02 65.23 1xrq s SER 133 CO 0.43 -0.21 1.32 0.58 1.20 0.00 0.00 173.24 176.56 1xrq h VAL 134 N 5.78 1.30 -0.54 4.45 2.07 -1.48 -2.43 116.25 125.41 1xrq h VAL 134 Ca -0.29 -1.84 0.08 0.00 0.82 0.00 0.00 66.70 65.48 1xrq h VAL 134 Cb 1.16 1.92 -0.07 0.00 -1.52 0.00 0.00 31.29 32.78 1xrq h VAL 134 CO 0.23 0.58 0.17 -0.65 0.02 0.00 0.00 177.57 177.92 1xrq h PRO 135 N 0.47 0.32 0.33 1.57 0.11 -1.73 0.47 132.00 133.53 1xrq h PRO 135 Ca -0.03 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 1xrq h PRO 135 Cb 1.25 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1xrq h PRO 135 CO 0.13 0.21 -0.28 1.25 -0.21 0.00 0.00 178.00 179.11 1xrq h LEU 136 N 0.33 -0.73 -0.79 2.35 5.85 -1.91 0.25 115.31 120.65 1xrq h LEU 136 Ca 0.27 0.06 0.09 0.00 0.84 0.00 0.00 57.88 59.14 1xrq h LEU 136 Cb 0.33 0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 1xrq h LEU 136 CO -0.29 -0.41 0.44 0.74 -0.34 0.00 0.00 178.44 178.58 1xrq h THR 137 N -0.62 0.89 -0.37 1.05 2.02 -0.86 0.13 112.91 115.15 1xrq h THR 137 Ca -0.02 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1xrq h THR 137 Cb 0.55 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1xrq h THR 137 CO -0.03 0.14 0.20 0.58 0.37 0.00 0.00 175.52 176.78 1xrq h VAL 138 N 0.74 1.15 -0.54 3.16 2.07 0.36 0.38 116.25 123.57 1xrq h VAL 138 Ca 0.38 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.60 1xrq h VAL 138 Cb 0.36 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 1xrq h VAL 138 CO -0.25 0.15 0.21 0.50 0.02 0.00 0.00 177.57 178.20 1xrq h LYS 139 N 0.48 0.40 -0.51 1.57 3.64 0.11 -0.34 116.57 121.91 1xrq h LYS 139 Ca 0.13 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 1xrq h LYS 139 Cb 0.06 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1xrq h LYS 139 CO -0.02 0.26 -0.04 0.93 -2.27 0.00 0.00 179.45 178.31 1xrq h GLU 140 N 0.41 0.89 -0.59 1.90 4.39 -0.32 -2.95 114.58 118.32 1xrq h GLU 140 Ca 0.26 -0.28 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 1xrq h GLU 140 Cb 0.28 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1xrq h GLU 140 CO -0.25 0.92 0.09 0.52 -1.16 0.00 0.00 179.01 179.13 1xrq h MET 141 N 0.82 0.96 -0.17 2.33 2.86 0.80 -2.48 114.93 120.03 1xrq h MET 141 Ca 0.15 -0.24 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1xrq h MET 141 Cb 0.55 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 1xrq h MET 141 CO 0.03 0.89 -0.00 -0.91 1.06 0.00 0.00 176.91 177.98 1xrq h ASN 142 N 0.90 -0.07 -0.88 1.22 -0.26 -0.94 0.63 115.58 116.18 1xrq h ASN 142 Ca 0.18 0.04 0.15 0.00 -0.56 0.00 0.00 56.30 56.11 1xrq h ASN 142 Cb 0.40 0.07 -0.10 0.00 -1.06 0.00 0.00 38.32 37.64 1xrq h ASN 142 CO 0.01 -0.01 0.47 -0.09 -1.06 0.00 0.00 177.43 176.75 1xrq h ARG 143 N 0.05 0.64 -0.18 0.81 2.43 -1.34 0.83 114.38 117.62 1xrq h ARG 143 Ca 0.08 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1xrq h ARG 143 Cb 0.10 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1xrq h ARG 143 CO -0.14 0.43 0.08 -0.07 -1.51 0.00 0.00 179.97 178.76 1xrq h LEU 144 N 0.66 0.24 -0.10 3.80 3.38 -0.80 -1.10 115.31 121.39 1xrq h LEU 144 Ca 0.48 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.35 1xrq h LEU 144 Cb 0.68 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 1xrq h LEU 144 CO -0.36 0.32 -0.23 0.40 0.09 0.00 0.00 178.44 178.66 1xrq h ILE 145 N 0.16 0.45 0.00 1.22 2.04 0.13 -0.93 117.51 120.58 1xrq h ILE 145 Ca 0.06 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 1xrq h ILE 145 Cb 0.14 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1xrq h ILE 145 CO -0.01 0.00 -0.03 0.44 0.00 0.00 0.00 178.15 178.55 1xrq h ASP 146 N -0.31 0.00 1.29 1.72 3.32 -0.93 -1.62 116.42 119.89 1xrq h ASP 146 Ca 0.09 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1xrq h ASP 146 Cb 0.44 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 1xrq h ASP 146 CO -0.28 0.03 -0.09 -0.33 -1.72 0.00 0.00 179.24 176.86 1xrq h GLU 147 N 0.00 0.00 -7.31 3.56 5.08 0.15 -3.45 114.58 112.61 1xrq h GLU 147 Ca -0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 1xrq h GLU 147 Cb 0.07 0.00 0.15 0.00 0.50 0.00 0.00 28.75 29.47 1xrq h GLU 147 CO 0.00 0.09 0.26 -0.51 -1.00 0.00 0.00 179.01 177.86 1xrq s LEU 148 N -6.35 2.63 0.46 1.33 1.02 -0.61 -4.94 118.68 112.22 1xrq s LEU 148 Ca 0.03 1.76 -0.24 0.00 0.02 0.00 0.00 54.13 55.69 1xrq s LEU 148 Cb 0.08 -4.27 -0.08 0.00 0.02 0.00 0.00 46.19 41.94 1xrq s LEU 148 CO 0.61 -2.53 1.31 -0.81 0.02 0.00 0.00 176.35 174.96 1xrq n PRO 149 N -3.83 1.90 -0.31 1.29 -0.04 -1.26 -4.59 135.00 128.16 1xrq n PRO 149 Ca 0.09 0.68 0.12 0.00 -0.04 0.00 0.00 63.50 64.34 1xrq n PRO 149 Cb 0.54 -2.47 0.25 0.00 -0.04 0.00 0.00 33.50 31.78 1xrq n PRO 149 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xrq h ALA 150 N 1.91 1.07 -0.61 0.55 0.00 -1.92 -0.87 119.26 119.40 1xrq h ALA 150 Ca -0.49 0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.78 1xrq h ALA 150 Cb 1.29 0.51 -0.08 0.00 0.00 0.00 0.00 17.79 19.51 1xrq h ALA 150 CO 0.59 -0.51 -0.44 -0.22 0.00 0.00 0.00 179.25 178.67 1xrq h LYS 151 N 0.06 -0.10 -0.08 0.00 3.64 -2.00 -0.39 116.57 117.71 1xrq h LYS 151 Ca 0.54 0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.76 1xrq h LYS 151 Cb 1.07 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.92 1xrq h LYS 151 CO -0.82 -0.06 -0.61 1.88 -2.27 0.00 0.00 179.45 177.57 1xrq h TYR 152 N -0.10 0.77 -0.30 1.91 -1.99 -1.73 -3.12 116.97 112.41 1xrq h TYR 152 Ca 0.10 -0.36 0.05 0.00 2.00 0.00 0.00 58.73 60.52 1xrq h TYR 152 Cb 0.36 -0.11 -0.08 0.00 2.00 0.00 0.00 36.73 38.90 1xrq h TYR 152 CO -0.91 1.16 -0.47 -0.09 -0.00 0.00 0.00 178.16 177.85 1xrq h ARG 153 N 0.15 -0.41 -0.28 4.88 2.43 -0.75 -0.67 114.38 119.74 1xrq h ARG 153 Ca -0.05 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1xrq h ARG 153 Cb 1.27 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.90 1xrq h ARG 153 CO 0.12 -0.27 0.02 -0.44 -1.51 0.00 0.00 179.97 177.90 1xrq h ASP 154 N -0.42 0.37 -0.73 -3.80 3.32 -1.21 -2.21 116.42 111.74 1xrq h ASP 154 Ca 0.09 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.11 1xrq h ASP 154 Cb 0.62 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.03 1xrq h ASP 154 CO -0.52 0.42 0.47 0.00 -1.72 0.00 0.00 179.24 177.89 1xrq h ALA 155 N 1.64 0.94 -0.34 3.45 0.00 -1.11 0.27 119.26 124.11 1xrq h ALA 155 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1xrq h ALA 155 Cb 0.23 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1xrq h ALA 155 CO 0.00 0.30 0.17 0.82 0.00 0.00 0.00 179.25 180.54 1xrq h ILE 156 N 0.95 1.16 -0.40 0.00 2.04 -0.58 -2.78 117.51 117.90 1xrq h ILE 156 Ca 0.28 -0.44 -0.08 0.00 1.00 0.00 0.00 64.86 65.62 1xrq h ILE 156 Cb -0.06 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1xrq h ILE 156 CO -0.08 0.16 -0.07 0.11 0.00 0.00 0.00 178.15 178.27 1xrq h LYS 157 N 0.41 0.68 0.00 2.37 1.57 -1.00 -1.10 116.57 119.50 1xrq h LYS 157 Ca 0.12 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1xrq h LYS 157 Cb 0.11 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1xrq h LYS 157 CO -0.02 0.74 0.00 1.17 -0.57 0.00 0.00 179.45 180.78 1xrq n LYS 158 N -4.20 0.00 0.28 3.15 4.81 0.90 -3.29 118.16 119.82 1xrq n LYS 158 Ca 0.02 0.14 0.12 0.00 -0.87 0.00 0.00 58.31 57.72 1xrq n LYS 158 Cb 0.32 -0.91 0.81 0.00 0.02 0.00 0.00 35.03 35.27 1xrq n LYS 158 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1xrq h TYR 159 N 0.00 0.00 -0.59 5.64 -1.99 -1.65 -1.48 116.97 116.90 1xrq h TYR 159 Ca 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 1xrq h TYR 159 Cb 0.00 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.70 1xrq h TYR 159 CO 0.03 0.00 0.34 0.78 -0.00 0.00 0.00 178.16 179.32 1xrq h GLY 160 N 0.00 0.85 1.90 3.88 0.00 -1.33 0.03 103.07 108.40 1xrq h GLY 160 Ca -0.00 -0.35 -0.14 0.00 0.00 0.00 0.00 47.33 46.84 1xrq h GLY 160 CO 0.00 0.34 -0.70 1.76 0.00 0.00 0.00 176.54 177.94 1xrq h SER 161 N 0.81 0.00 -0.05 0.19 0.02 -1.26 -3.13 113.55 110.13 1xrq h SER 161 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1xrq h SER 161 Cb -0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1xrq h SER 161 CO -0.04 0.62 0.00 -1.54 -1.14 0.00 0.00 176.83 174.73 1xrq n SER 162 N -3.22 1.10 -2.31 3.07 3.41 -0.86 -4.90 113.62 109.91 1xrq n SER 162 Ca 0.00 -1.45 -0.20 0.00 -0.26 0.00 0.00 58.87 56.97 1xrq n SER 162 Cb 0.79 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.70 1xrq n SER 162 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xrq n GLY 163 N 1.09 -0.22 3.04 5.00 0.00 -0.42 -4.90 105.19 108.78 1xrq n GLY 163 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1xrq n GLY 163 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xrq n SER 164 N -1.91 5.60 0.10 1.61 7.64 -0.14 -4.78 113.62 121.74 1xrq n SER 164 Ca -0.23 -3.28 0.13 0.00 1.01 0.00 0.00 58.87 56.49 1xrq n SER 164 Cb 0.68 -1.20 0.35 0.00 -1.01 0.00 0.00 64.21 63.02 1xrq n SER 164 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1xrq h TYR 165 N 5.68 0.00 0.00 1.43 -1.99 -1.91 -3.21 116.97 116.97 1xrq h TYR 165 Ca 0.19 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.79 1xrq h TYR 165 Cb 0.71 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.42 1xrq h TYR 165 CO 0.87 0.00 -0.60 1.05 -0.00 0.00 0.00 178.16 179.48 1xrq h GLU 166 N 0.00 0.00 -6.39 4.88 9.09 -1.97 -3.40 114.58 116.79 1xrq h GLU 166 Ca 0.00 0.00 -0.63 0.00 0.05 0.00 0.00 59.36 58.78 1xrq h GLU 166 Cb 0.75 0.00 0.08 0.00 -1.65 0.00 0.00 28.75 27.93 1xrq h GLU 166 CO 0.00 0.60 0.38 -1.71 0.05 0.00 0.00 179.01 178.33 1xrq n ASN 167 N -3.64 1.74 -0.11 3.06 5.15 -1.21 -4.80 115.26 115.44 1xrq n ASN 167 Ca -0.01 1.14 -0.06 0.00 -0.60 0.00 0.00 54.58 55.06 1xrq n ASN 167 Cb 0.64 -1.27 0.13 0.00 -0.53 0.00 0.00 39.78 38.75 1xrq n ASN 167 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1xrq h PRO 168 N 3.71 0.81 0.00 1.20 0.13 -1.92 0.12 132.00 136.05 1xrq h PRO 168 Ca -0.44 -0.25 -0.03 0.00 -0.87 0.00 0.00 66.00 64.42 1xrq h PRO 168 Cb 1.32 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1xrq h PRO 168 CO 0.72 0.85 -0.14 1.49 -0.23 0.00 0.00 178.00 180.69 1xrq h GLU 169 N 0.74 0.00 0.01 0.86 4.81 -1.98 0.14 114.58 119.17 1xrq h GLU 169 Ca 0.13 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1xrq h GLU 169 Cb 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1xrq h GLU 169 CO 0.03 0.14 -0.01 -0.92 -0.73 0.00 0.00 179.01 177.52 1xrq h TYR 170 N 0.00 -0.02 -0.97 0.92 3.20 -1.76 -3.21 116.97 115.13 1xrq h TYR 170 Ca -0.00 -0.00 0.24 0.00 3.14 0.00 0.00 58.73 62.10 1xrq h TYR 170 Cb 0.26 0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.46 1xrq h TYR 170 CO 0.00 0.67 0.64 1.96 -1.64 0.00 0.00 178.16 179.79 1xrq h GLN 171 N -0.97 0.37 0.11 1.82 1.08 -0.62 0.21 115.11 117.11 1xrq h GLN 171 Ca -0.00 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1xrq h GLN 171 Cb 0.69 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 1xrq h GLN 171 CO 0.00 0.25 -0.05 1.49 -0.95 0.00 0.00 178.83 179.57 1xrq h GLU 172 N 0.39 -0.14 0.17 1.46 4.81 -0.79 -0.03 114.58 120.45 1xrq h GLU 172 Ca 0.53 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.76 1xrq h GLU 172 Cb 1.36 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.77 1xrq h GLU 172 CO -0.22 -0.07 -0.08 0.00 -0.73 0.00 0.00 179.01 177.91 1xrq h ALA 173 N 0.72 -0.23 -0.26 2.92 0.00 -1.01 -0.55 119.26 120.84 1xrq h ALA 173 Ca -0.02 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1xrq h ALA 173 Cb 0.13 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 1xrq h ALA 173 CO 0.02 -0.62 -0.47 0.28 0.00 0.00 0.00 179.25 178.46 1xrq h VAL 174 N -0.25 0.08 -0.78 0.00 2.07 -1.08 0.24 116.25 116.52 1xrq h VAL 174 Ca -0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.52 1xrq h VAL 174 Cb 0.20 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.00 1xrq h VAL 174 CO 0.04 0.00 0.52 -1.13 0.02 0.00 0.00 177.57 177.02 1xrq h ASN 175 N -0.45 0.86 -0.23 0.57 -0.73 -0.89 0.21 115.58 114.92 1xrq h ASN 175 Ca 0.09 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.24 1xrq h ASN 175 Cb 0.62 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 39.00 1xrq h ASN 175 CO -0.50 0.60 0.15 0.22 -0.37 0.00 0.00 177.43 177.53 1xrq h TYR 176 N 1.00 0.30 -0.81 0.67 3.20 0.62 -0.71 116.97 121.23 1xrq h TYR 176 Ca 0.30 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.18 1xrq h TYR 176 Cb -0.02 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 1xrq h TYR 176 CO -0.00 0.21 0.52 0.35 -1.64 0.00 0.00 178.16 177.60 1xrq h PHE 177 N 0.30 1.04 -0.07 -3.82 3.04 0.12 -2.70 116.94 114.85 1xrq h PHE 177 Ca 0.08 0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.07 1xrq h PHE 177 Cb -0.01 -0.35 -0.02 0.00 2.56 0.00 0.00 35.95 38.14 1xrq h PHE 177 CO -0.05 0.67 -0.04 1.88 -2.02 0.00 0.00 178.31 178.75 1xrq h TYR 178 N 1.11 -0.08 0.00 0.41 -1.99 -0.24 0.13 116.97 116.31 1xrq h TYR 178 Ca 0.30 0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.03 1xrq h TYR 178 Cb -0.10 0.05 0.00 0.00 2.00 0.00 0.00 36.73 38.68 1xrq h TYR 178 CO -0.01 -0.06 0.00 0.72 -0.00 0.00 0.00 178.16 178.81 1xrq n HIS 179 N -5.15 0.00 -0.04 4.88 8.25 -0.34 -0.41 115.22 122.41 1xrq n HIS 179 Ca -0.05 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.32 1xrq n HIS 179 Cb 0.09 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 1xrq n HIS 179 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1xrq n GLN 180 N -0.67 0.22 -0.00 -0.41 -0.06 -0.23 -3.51 117.38 112.72 1xrq n GLN 180 Ca 0.05 0.10 0.05 0.00 -2.00 0.00 0.00 57.00 55.20 1xrq n GLN 180 Cb 0.02 -0.88 -0.06 0.00 -4.06 0.00 0.00 30.24 25.26 1xrq n GLN 180 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 1xrq n HIS 181 N -3.62 0.00 -0.12 3.69 8.25 0.30 -4.39 115.22 119.32 1xrq n HIS 181 Ca -0.16 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.04 1xrq n HIS 181 Cb 0.50 -0.01 -0.11 0.00 1.12 0.00 0.00 29.99 31.49 1xrq n HIS 181 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1xrq n LEU 182 N -1.25 2.18 -3.05 2.41 7.94 0.46 -1.24 117.00 124.44 1xrq n LEU 182 Ca 0.02 0.26 -0.10 0.00 -1.11 0.00 0.00 56.01 55.08 1xrq n LEU 182 Cb 0.16 -0.89 -0.03 0.00 0.53 0.00 0.00 43.42 43.19 1xrq n LEU 182 CO 0.21 0.60 -0.02 -0.22 -1.11 0.00 0.00 177.39 176.85 1xrq s LEU 183 N -7.37 -0.64 0.62 -1.96 0.20 -0.18 -1.87 118.68 107.48 1xrq s LEU 183 Ca -0.35 -1.87 -0.18 0.00 0.69 0.00 0.00 54.13 52.43 1xrq s LEU 183 Cb 0.11 1.20 -0.10 0.00 -0.43 0.00 0.00 46.19 46.97 1xrq s LEU 183 CO 0.55 -0.12 0.17 0.54 -0.29 0.00 0.00 176.35 177.20 1xrq n ARG 184 N 3.32 0.23 -0.11 1.98 1.74 -1.26 -3.77 116.66 118.81 1xrq n ARG 184 Ca 0.19 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 1xrq n ARG 184 Cb 0.53 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 1xrq n ARG 184 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1xrq n SER 185 N 1.31 0.00 -4.38 0.55 7.64 -1.23 -4.81 113.62 112.71 1xrq n SER 185 Ca 0.09 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.78 1xrq n SER 185 Cb 0.49 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.58 1xrq n SER 185 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1xrq s GLU 186 N -0.13 1.51 -0.67 1.43 2.02 -1.25 -5.06 118.70 116.56 1xrq s GLU 186 Ca 0.00 -1.82 0.02 0.00 0.02 0.00 0.00 54.97 53.19 1xrq s GLU 186 Cb 0.00 -0.58 0.37 0.00 0.10 0.00 0.00 34.13 34.02 1xrq s GLU 186 CO 0.00 -0.22 1.47 -0.25 0.02 0.00 0.00 175.26 176.28 1xrq n ASP 187 N -0.56 5.93 0.00 -0.19 10.43 -1.26 -5.05 116.55 125.85 1xrq n ASP 187 Ca -0.02 -3.75 0.00 0.00 2.57 0.00 0.00 54.79 53.59 1xrq n ASP 187 Cb 0.66 -0.76 0.00 0.00 1.84 0.00 0.00 41.12 42.86 1xrq n ASP 187 CO 0.00 0.00 0.00 0.79 -1.07 0.00 0.00 177.20 176.92 1xrq n TRP 188 N -0.41 0.00 -1.74 1.24 7.02 -1.26 -4.90 117.44 117.38 1xrq n TRP 188 Ca 0.44 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.60 1xrq n TRP 188 Cb 0.43 0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.35 1xrq n TRP 188 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 1xrq s PRO 189 N 0.00 3.12 0.16 -0.99 0.04 -1.26 -4.89 135.00 131.18 1xrq s PRO 189 Ca 0.00 1.00 -0.21 0.00 0.04 0.00 0.00 61.00 61.84 1xrq s PRO 189 Cb 0.00 -2.01 0.07 0.00 0.04 0.00 0.00 34.50 32.60 1xrq s PRO 189 CO 0.00 -0.96 1.63 -1.35 0.04 0.00 0.00 177.00 176.36 1xrq h PRO 190 N -0.34 -0.17 -0.83 0.56 0.11 -1.97 -2.27 132.00 127.08 1xrq h PRO 190 Ca -0.45 0.01 0.21 0.00 0.11 0.00 0.00 66.00 65.88 1xrq h PRO 190 Cb 1.21 0.04 -0.14 0.00 0.11 0.00 0.00 31.00 32.22 1xrq h PRO 190 CO 0.57 -0.11 0.17 0.93 -0.21 0.00 0.00 178.00 179.35 1xrq h GLU 191 N -0.18 0.19 -0.19 1.05 3.07 -1.93 0.96 114.58 117.55 1xrq h GLU 191 Ca 0.17 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.00 1xrq h GLU 191 Cb 0.44 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 1xrq h GLU 191 CO -0.44 0.12 0.03 0.28 -1.40 0.00 0.00 179.01 177.60 1xrq h VAL 192 N 0.19 1.22 0.00 3.13 2.07 -1.67 -1.55 116.25 119.65 1xrq h VAL 192 Ca 0.50 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1xrq h VAL 192 Cb 0.96 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1xrq h VAL 192 CO -0.64 0.23 0.00 0.18 0.02 0.00 0.00 177.57 177.35 1xrq n LEU 193 N -4.75 0.26 0.06 2.57 4.77 0.66 -1.82 117.00 118.76 1xrq n LEU 193 Ca -0.04 0.57 -0.22 0.00 -0.03 0.00 0.00 56.01 56.29 1xrq n LEU 193 Cb 0.19 -0.55 -0.15 0.00 -2.33 0.00 0.00 43.42 40.58 1xrq n LEU 193 CO 0.36 -0.43 -0.26 0.50 -1.33 0.00 0.00 177.39 176.23 1xrq h LYS 194 N 0.00 0.35 -0.18 3.23 1.63 0.16 -2.79 116.57 118.97 1xrq h LYS 194 Ca 0.00 -0.60 -0.12 0.00 -0.85 0.00 0.00 60.65 59.09 1xrq h LYS 194 Cb 0.24 0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 1xrq h LYS 194 CO 0.00 1.29 -0.39 0.77 -3.45 0.00 0.00 179.45 177.66 1xrq h SER 195 N -0.17 0.41 -0.38 4.20 0.02 -0.52 -2.10 113.55 115.02 1xrq h SER 195 Ca -0.25 -0.17 -0.14 0.00 -0.84 0.00 0.00 61.79 60.39 1xrq h SER 195 Cb 1.87 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 64.28 1xrq h SER 195 CO 0.15 0.77 -0.30 -0.07 -1.14 0.00 0.00 176.83 176.24 1xrq h LEU 196 N 0.33 0.92 -1.05 5.07 3.38 -1.47 -1.95 115.31 120.54 1xrq h LEU 196 Ca 0.03 -0.45 0.03 0.00 0.09 0.00 0.00 57.88 57.58 1xrq h LEU 196 Cb 0.83 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 1xrq h LEU 196 CO 0.07 1.17 0.64 -0.08 0.09 0.00 0.00 178.44 180.33 1xrq h GLU 197 N 0.68 1.22 -0.05 1.13 4.81 -1.31 -2.26 114.58 118.80 1xrq h GLU 197 Ca 0.07 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1xrq h GLU 197 Cb 0.88 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 1xrq h GLU 197 CO 0.08 0.81 0.00 1.88 -0.73 0.00 0.00 179.01 181.05 1xrq h TYR 198 N 1.26 0.09 -0.49 0.92 0.05 -1.08 -2.82 116.97 114.90 1xrq h TYR 198 Ca 0.38 -0.02 0.07 0.00 0.05 0.00 0.00 58.73 59.21 1xrq h TYR 198 Cb -0.04 -0.02 -0.06 0.00 1.01 0.00 0.00 36.73 37.61 1xrq h TYR 198 CO -0.00 0.36 0.16 0.00 -1.05 0.00 0.00 178.16 177.63 1xrq h ALA 199 N 0.72 0.59 0.00 3.88 0.00 -1.10 0.19 119.26 123.54 1xrq h ALA 199 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xrq h ALA 199 Cb 0.32 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1xrq h ALA 199 CO 0.00 -0.24 0.00 -1.91 0.00 0.00 0.00 179.25 177.10 1xrq n GLU 200 N -5.03 0.18 -0.09 0.00 2.13 -0.87 -2.84 120.64 114.11 1xrq n GLU 200 Ca 0.05 0.16 -0.11 0.00 0.66 0.00 0.00 57.16 57.93 1xrq n GLU 200 Cb 0.21 -1.50 -0.11 0.00 0.27 0.00 0.00 31.44 30.31 1xrq n GLU 200 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1xrq n ARG 201 N -1.31 0.98 -2.54 5.31 1.74 0.36 -5.02 116.66 116.18 1xrq n ARG 201 Ca 0.06 0.05 -0.23 0.00 -0.77 0.00 0.00 57.85 56.96 1xrq n ARG 201 Cb 0.12 -1.40 0.09 0.00 -1.02 0.00 0.00 32.46 30.24 1xrq n ARG 201 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1xrq s ARG 202 N -2.39 1.95 0.01 5.56 1.81 0.38 -5.04 118.95 121.23 1xrq s ARG 202 Ca -0.17 -0.91 0.22 0.00 -1.72 0.00 0.00 55.73 53.15 1xrq s ARG 202 Cb 0.06 -2.34 -0.26 0.00 -0.45 0.00 0.00 34.95 31.95 1xrq s ARG 202 CO 0.56 -1.24 0.63 0.09 -0.68 0.00 0.00 175.30 174.65 1xrq n ASN 203 N -2.73 0.24 -0.03 0.23 3.02 -1.26 -4.51 115.26 110.22 1xrq n ASN 203 Ca 0.12 -0.07 -0.09 0.00 -0.03 0.00 0.00 54.58 54.51 1xrq n ASN 203 Cb 0.60 1.63 -0.03 0.00 -0.61 0.00 0.00 39.78 41.38 1xrq n ASN 203 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1xrq h VAL 204 N 0.00 0.35 -0.04 2.41 2.07 -1.89 -0.63 116.25 118.53 1xrq h VAL 204 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1xrq h VAL 204 Cb 0.93 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1xrq h VAL 204 CO 0.00 0.00 -0.14 0.22 0.02 0.00 0.00 177.57 177.67 1xrq h TYR 205 N -0.31 -0.35 -0.57 1.57 3.20 -1.72 0.13 116.97 118.92 1xrq h TYR 205 Ca 0.12 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.11 1xrq h TYR 205 Cb 0.49 0.16 -0.08 0.00 1.54 0.00 0.00 36.73 38.85 1xrq h TYR 205 CO -0.40 -0.21 0.11 -0.09 -1.64 0.00 0.00 178.16 175.94 1xrq h ARG 206 N -0.21 0.24 0.06 1.82 2.43 -1.63 0.18 114.38 117.27 1xrq h ARG 206 Ca 0.06 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1xrq h ARG 206 Cb 0.29 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1xrq h ARG 206 CO -0.16 0.16 -0.03 0.82 -1.51 0.00 0.00 179.97 179.25 1xrq h ILE 207 N 0.25 1.01 -0.05 1.20 2.04 -0.82 -3.09 117.51 118.05 1xrq h ILE 207 Ca 0.29 -1.55 -0.16 0.00 1.00 0.00 0.00 64.86 64.44 1xrq h ILE 207 Cb 0.43 1.84 0.01 0.00 -0.74 0.00 0.00 36.82 38.35 1xrq h ILE 207 CO -0.38 0.31 -0.61 0.24 0.00 0.00 0.00 178.15 177.71 1xrq h MET 208 N -0.94 0.49 0.00 2.37 2.86 -0.77 -2.01 114.93 116.94 1xrq h MET 208 Ca -0.01 -0.47 -0.00 0.00 -2.06 0.00 0.00 59.70 57.16 1xrq h MET 208 Cb 0.58 0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.35 1xrq h MET 208 CO 0.01 1.11 -0.55 -1.71 1.06 0.00 0.00 176.91 176.83 1xrq n ASN 209 N -4.18 1.82 0.00 1.22 2.85 0.42 -1.25 115.26 116.13 1xrq n ASN 209 Ca -0.09 0.62 0.00 0.00 -0.11 0.00 0.00 54.58 54.99 1xrq n ASN 209 Cb 0.67 -0.86 0.00 0.00 1.24 0.00 0.00 39.78 40.82 1xrq n ASN 209 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xrq n GLY 210 N 1.61 0.53 0.00 8.20 0.00 0.13 0.87 105.19 116.53 1xrq n GLY 210 Ca -0.08 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1xrq n GLY 210 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xrq n PRO 211 N 0.00 0.00 -0.19 1.61 -0.02 -1.22 -4.32 135.00 130.86 1xrq n PRO 211 Ca 0.00 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1xrq n PRO 211 Cb 0.00 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 1xrq n PRO 211 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1xrq n ASN 212 N -1.37 0.77 0.00 2.55 0.23 -1.25 -4.97 115.26 111.22 1xrq n ASN 212 Ca 0.00 -0.10 0.00 0.00 -0.53 0.00 0.00 54.58 53.95 1xrq n ASN 212 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1xrq n ASN 212 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1xrq n GLU 213 N 0.00 0.00 0.00 -3.83 -0.58 -1.26 -3.10 120.64 111.87 1xrq n GLU 213 Ca 0.00 0.36 0.04 0.00 -0.42 0.00 0.00 57.16 57.14 1xrq n GLU 213 Cb 0.00 -1.33 0.19 0.00 -0.57 0.00 0.00 31.44 29.73 1xrq n GLU 213 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 1xrq n PHE 214 N -1.54 0.00 -3.13 -0.32 1.16 -1.26 -3.67 117.46 108.70 1xrq n PHE 214 Ca 0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.20 1xrq n PHE 214 Cb 0.00 -0.36 -0.02 0.00 -1.61 0.00 0.00 39.48 37.49 1xrq n PHE 214 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30 1xrq n THR 215 N -1.36 4.39 -2.88 1.97 -1.04 -1.18 -4.94 114.28 109.24 1xrq n THR 215 Ca 0.03 -5.71 -0.43 0.00 -2.04 0.00 0.00 64.05 55.89 1xrq n THR 215 Cb 0.07 -2.07 -0.03 0.00 -1.82 0.00 0.00 70.33 66.49 1xrq n THR 215 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1xrq s ILE 216 N -2.75 4.51 0.00 12.58 1.01 -1.24 -3.45 121.20 131.86 1xrq s ILE 216 Ca 0.34 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.95 1xrq s ILE 216 Cb 0.09 -4.76 0.00 0.00 0.01 0.00 0.00 42.46 37.80 1xrq s ILE 216 CO 0.06 -1.52 0.85 0.35 0.00 0.00 0.00 174.94 174.69 1xrq n THR 217 N 5.76 0.72 0.00 2.92 -2.24 -0.59 -4.74 114.28 116.11 1xrq n THR 217 Ca 0.13 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1xrq n THR 217 Cb 0.48 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 1xrq n THR 217 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xrq n GLY 218 N -0.36 -2.80 0.16 3.38 0.00 0.25 -4.80 105.19 101.02 1xrq n GLY 218 Ca 0.00 -1.29 0.04 0.00 0.00 0.00 0.00 46.02 44.77 1xrq n GLY 218 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1xrq h THR 219 N -0.75 0.92 -0.00 2.61 1.35 -0.38 -3.09 112.91 113.56 1xrq h THR 219 Ca 0.00 -1.95 0.00 0.00 -0.55 0.00 0.00 66.41 63.91 1xrq h THR 219 Cb 0.00 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1xrq h THR 219 CO 0.00 0.46 -0.02 2.30 -0.25 0.00 0.00 175.52 178.01 1xrq n ILE 220 N -3.37 0.00 -0.27 6.82 -5.35 -0.99 -4.38 119.36 111.82 1xrq n ILE 220 Ca 0.01 -0.05 0.24 0.00 -0.27 0.00 0.00 62.75 62.68 1xrq n ILE 220 Cb 0.64 -0.29 0.45 0.00 -1.74 0.00 0.00 39.64 38.69 1xrq n ILE 220 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 1xrq n LYS 221 N -0.86 -0.05 -0.20 6.28 2.85 -1.17 -0.48 118.16 124.53 1xrq n LYS 221 Ca 0.20 1.18 0.06 0.00 -1.05 0.00 0.00 58.31 58.71 1xrq n LYS 221 Cb 0.19 -2.07 0.17 0.00 -0.65 0.00 0.00 35.03 32.67 1xrq n LYS 221 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1xrq n ASP 222 N -4.96 3.03 -4.76 -5.58 10.43 -1.26 -3.92 116.55 109.53 1xrq n ASP 222 Ca 0.30 -2.01 -0.41 0.00 2.57 0.00 0.00 54.79 55.23 1xrq n ASP 222 Cb 1.00 -0.26 -0.00 0.00 1.84 0.00 0.00 41.12 43.70 1xrq n ASP 222 CO 0.00 0.00 0.00 1.87 -1.07 0.00 0.00 177.20 178.00 1xrq n TRP 223 N 0.60 2.82 -3.26 1.24 -0.00 0.37 -4.83 117.44 114.38 1xrq n TRP 223 Ca 0.13 0.46 0.03 0.00 -0.00 0.00 0.00 57.50 58.12 1xrq n TRP 223 Cb 0.45 -2.51 -0.02 0.00 -0.00 0.00 0.00 31.31 29.23 1xrq n TRP 223 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1xrq s ASP 224 N -0.14 -0.74 -0.15 5.87 3.68 -1.26 -1.29 116.67 122.65 1xrq s ASP 224 Ca 0.54 0.65 0.14 0.00 2.13 0.00 0.00 52.55 56.02 1xrq s ASP 224 Cb -0.50 1.69 0.36 0.00 -1.45 0.00 0.00 42.92 43.03 1xrq s ASP 224 CO 0.63 -0.14 1.18 2.30 0.13 0.00 0.00 175.17 179.27 1xrq n ILE 225 N 5.30 1.68 -0.31 4.11 -5.35 -0.26 -4.79 119.36 119.75 1xrq n ILE 225 Ca -0.07 -2.48 0.05 0.00 -0.27 0.00 0.00 62.75 59.98 1xrq n ILE 225 Cb 0.52 -0.02 0.20 0.00 -1.74 0.00 0.00 39.64 38.60 1xrq n ILE 225 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1xrq h THR 226 N 1.95 0.85 0.00 7.28 2.02 -1.96 -0.57 112.91 122.49 1xrq h THR 226 Ca -0.03 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1xrq h THR 226 Cb 1.15 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1xrq h THR 226 CO 0.01 0.14 0.00 -0.90 0.37 0.00 0.00 175.52 175.15 1xrq n ASP 227 N -4.75 0.60 0.00 4.18 5.75 -1.26 -2.96 116.55 118.10 1xrq n ASP 227 Ca 0.16 -1.22 0.00 0.00 -0.01 0.00 0.00 54.79 53.72 1xrq n ASP 227 Cb 0.35 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 1xrq n ASP 227 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1xrq n LYS 228 N 0.18 3.15 0.29 0.11 5.02 -0.27 -4.85 118.16 121.80 1xrq n LYS 228 Ca 0.00 0.00 0.20 0.00 -2.02 0.00 0.00 58.31 56.49 1xrq n LYS 228 Cb 0.15 -0.47 0.96 0.00 -0.02 0.00 0.00 35.03 35.65 1xrq n LYS 228 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1xrq h ILE 229 N 0.00 0.00 -0.12 -0.18 3.07 -1.32 -2.24 117.51 116.72 1xrq h ILE 229 Ca 0.00 -0.17 0.02 0.00 1.55 0.00 0.00 64.86 66.26 1xrq h ILE 229 Cb 0.00 1.11 -0.01 0.00 -0.27 0.00 0.00 36.82 37.65 1xrq h ILE 229 CO 0.00 0.00 0.08 0.28 -1.05 0.00 0.00 178.15 177.46 1xrq h SER 230 N 0.00 0.07 0.03 2.16 0.02 -1.75 -1.12 113.55 112.96 1xrq h SER 230 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xrq h SER 230 Cb 0.18 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1xrq h SER 230 CO 0.00 0.05 0.00 0.00 -1.14 0.00 0.00 176.83 175.74 1xrq n ALA 231 N -2.54 1.04 -2.65 3.77 0.00 -0.84 -4.63 120.51 114.65 1xrq n ALA 231 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1xrq n ALA 231 Cb 0.14 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 1xrq n ALA 231 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xrq s ILE 232 N -3.02 4.70 0.00 0.00 1.01 -0.42 -4.92 121.20 118.54 1xrq s ILE 232 Ca 0.00 1.94 0.00 0.00 0.00 0.00 0.00 60.65 62.59 1xrq s ILE 232 Cb 0.01 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.23 1xrq s ILE 232 CO 0.02 0.13 0.00 0.29 0.00 0.00 0.00 174.94 175.38 1xrq n LYS 233 N 4.08 5.58 -1.40 2.79 4.01 -1.26 -4.43 118.16 127.54 1xrq n LYS 233 Ca 0.07 0.00 -0.31 0.00 -0.51 0.00 0.00 58.31 57.56 1xrq n LYS 233 Cb 0.50 -0.46 0.07 0.00 -0.51 0.00 0.00 35.03 34.63 1xrq n LYS 233 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 1xrq s ILE 234 N -0.91 3.64 0.17 -0.18 -4.36 -1.26 -4.93 121.20 113.37 1xrq s ILE 234 Ca 0.00 0.53 -0.33 0.00 -0.26 0.00 0.00 60.65 60.59 1xrq s ILE 234 Cb 0.00 -3.13 -0.14 0.00 1.25 0.00 0.00 42.46 40.44 1xrq s ILE 234 CO 0.00 -0.70 1.53 -2.65 0.24 0.00 0.00 174.94 173.36 1xrq n PRO 235 N -3.35 2.08 -4.13 0.37 -0.02 -1.26 -4.77 135.00 123.92 1xrq n PRO 235 Ca 0.08 0.75 -0.18 0.00 -2.02 0.00 0.00 63.50 62.13 1xrq n PRO 235 Cb 0.53 -2.49 -0.16 0.00 -0.02 0.00 0.00 33.50 31.37 1xrq n PRO 235 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1xrq s THR 236 N 0.69 0.44 -0.26 3.45 2.01 -1.26 0.35 115.64 121.06 1xrq s THR 236 Ca 0.77 -0.11 -0.03 0.00 0.31 0.00 0.00 61.69 62.64 1xrq s THR 236 Cb -0.69 -0.46 0.03 0.00 0.01 0.00 0.00 72.50 71.39 1xrq s THR 236 CO 0.41 0.19 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.27 1xrq s LEU 237 N 0.70 3.37 -0.31 4.42 2.96 0.69 -0.93 118.68 129.59 1xrq s LEU 237 Ca -0.09 -0.88 -0.09 0.00 -0.22 0.00 0.00 54.13 52.85 1xrq s LEU 237 Cb -0.12 -1.71 -0.00 0.00 0.50 0.00 0.00 46.19 44.87 1xrq s LEU 237 CO -0.00 -0.15 0.14 -0.63 -1.32 0.00 0.00 176.35 174.39 1xrq s ILE 238 N 1.35 4.45 0.23 6.68 1.01 -0.50 -0.98 121.20 133.43 1xrq s ILE 238 Ca 0.00 -0.53 0.09 0.00 0.00 0.00 0.00 60.65 60.22 1xrq s ILE 238 Cb -0.17 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 1xrq s ILE 238 CO -0.03 0.04 -0.05 0.42 0.00 0.00 0.00 174.94 175.33 1xrq s THR 239 N 1.58 3.33 -0.25 2.92 -4.23 -0.14 -0.69 115.64 118.16 1xrq s THR 239 Ca 0.04 -1.81 -0.27 0.00 -1.18 0.00 0.00 61.69 58.47 1xrq s THR 239 Cb -0.17 -2.73 0.13 0.00 1.34 0.00 0.00 72.50 71.07 1xrq s THR 239 CO 0.05 -0.26 1.06 0.54 -0.54 0.00 0.00 174.62 175.47 1xrq s VAL 240 N -2.07 0.00 0.36 2.29 0.11 -0.71 -1.60 120.40 118.78 1xrq s VAL 240 Ca 0.29 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.16 1xrq s VAL 240 Cb -0.07 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.68 1xrq s VAL 240 CO 0.18 0.00 0.83 -0.83 -3.33 0.00 0.00 175.10 171.95 1xrq s GLY 241 N -0.20 2.38 0.20 6.54 0.00 -1.17 0.19 107.32 115.26 1xrq s GLY 241 Ca 0.02 0.21 -0.14 0.00 0.00 0.00 0.00 44.72 44.81 1xrq s GLY 241 CO -0.05 0.46 1.63 -2.09 0.00 0.00 0.00 173.10 173.05 1xrq h GLU 242 N 2.18 -0.01 -0.66 2.90 4.81 0.16 0.13 114.58 124.09 1xrq h GLU 242 Ca -0.48 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.61 1xrq h GLU 242 Cb 1.18 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.48 1xrq h GLU 242 CO 0.64 -0.00 0.17 0.66 -0.73 0.00 0.00 179.01 179.74 1xrq n TYR 243 N -5.41 2.26 -1.71 0.92 4.01 -0.16 -4.78 117.16 112.29 1xrq n TYR 243 Ca 0.06 -1.05 -0.43 0.00 -0.16 0.00 0.00 57.90 56.33 1xrq n TYR 243 Cb 0.31 -0.62 -0.01 0.00 -0.31 0.00 0.00 39.34 38.71 1xrq n TYR 243 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1xrq n ASP 244 N 0.06 3.10 0.16 7.72 4.64 0.46 -4.18 116.55 128.51 1xrq n ASP 244 Ca 0.36 1.18 0.05 0.00 -1.38 0.00 0.00 54.79 55.00 1xrq n ASP 244 Cb 1.31 -1.50 0.48 0.00 -1.04 0.00 0.00 41.12 40.37 1xrq n ASP 244 CO 0.00 0.00 0.00 0.06 -0.82 0.00 0.00 177.20 176.44 1xrq h GLN 245 N 3.54 0.16 -3.12 -0.67 3.07 -1.70 -2.72 115.11 113.67 1xrq h GLN 245 Ca -0.46 -0.02 -0.80 0.00 0.09 0.00 0.00 58.65 57.45 1xrq h GLN 245 Cb 1.26 -0.03 -0.27 0.00 0.08 0.00 0.00 27.48 28.53 1xrq h GLN 245 CO 0.70 0.23 0.84 0.28 0.09 0.00 0.00 178.83 180.97 1xrq n VAL 246 N -4.38 5.10 -0.51 1.86 0.31 -1.26 -4.60 118.33 114.85 1xrq n VAL 246 Ca -0.01 -5.69 -0.16 0.00 -0.01 0.00 0.00 64.34 58.47 1xrq n VAL 246 Cb 0.19 -2.20 0.00 0.00 -0.91 0.00 0.00 33.84 30.92 1xrq n VAL 246 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1xrq n THR 247 N 1.80 0.16 0.28 2.52 -2.24 -1.03 -4.58 114.28 111.19 1xrq n THR 247 Ca 0.27 -0.20 0.15 0.00 -2.27 0.00 0.00 64.05 62.00 1xrq n THR 247 Cb 0.35 0.00 0.88 0.00 -2.10 0.00 0.00 70.33 69.45 1xrq n THR 247 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1xrq h PRO 248 N 0.08 0.00 -0.67 -0.78 0.13 -1.83 0.54 132.00 129.47 1xrq h PRO 248 Ca -0.15 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.05 1xrq h PRO 248 Cb 0.58 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.65 1xrq h PRO 248 CO 0.18 0.00 0.36 -0.97 -0.23 0.00 0.00 178.00 177.34 1xrq h ASN 249 N 0.00 0.51 -0.37 1.44 -0.00 -1.98 0.34 115.58 115.53 1xrq h ASN 249 Ca 0.02 0.04 -0.01 0.00 -0.00 0.00 0.00 56.30 56.35 1xrq h ASN 249 Cb 0.09 -0.06 -0.02 0.00 -0.00 0.00 0.00 38.32 38.34 1xrq h ASN 249 CO -0.00 0.32 0.19 0.58 -0.00 0.00 0.00 177.43 178.52 1xrq h VAL 250 N 0.65 1.16 0.00 2.57 2.07 -1.16 -1.67 116.25 119.86 1xrq h VAL 250 Ca 0.31 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1xrq h VAL 250 Cb 0.24 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1xrq h VAL 250 CO -0.21 0.17 -0.03 0.00 0.02 0.00 0.00 177.57 177.52 1xrq h ALA 251 N 1.04 1.91 -0.13 1.67 0.00 -1.02 -2.22 119.26 120.51 1xrq h ALA 251 Ca 0.13 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1xrq h ALA 251 Cb 0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1xrq h ALA 251 CO -0.02 0.04 0.08 -0.09 0.00 0.00 0.00 179.25 179.26 1xrq h ARG 252 N 0.00 0.18 -0.96 0.00 2.43 0.59 -1.42 114.38 115.20 1xrq h ARG 252 Ca -0.00 -0.02 0.23 0.00 -0.81 0.00 0.00 59.98 59.38 1xrq h ARG 252 Cb 0.05 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.49 1xrq h ARG 252 CO 0.00 0.17 0.63 0.28 -1.51 0.00 0.00 179.97 179.54 1xrq h VAL 253 N 0.14 0.62 0.01 0.20 2.07 -1.18 0.39 116.25 118.50 1xrq h VAL 253 Ca 0.05 -0.13 -0.12 0.00 0.82 0.00 0.00 66.70 67.31 1xrq h VAL 253 Cb 0.04 0.20 0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1xrq h VAL 253 CO -0.01 0.07 -0.47 0.40 0.02 0.00 0.00 177.57 177.58 1xrq h ILE 254 N 0.39 1.48 -0.80 4.57 2.04 -1.44 -3.13 117.51 120.63 1xrq h ILE 254 Ca 0.51 -2.06 -0.02 0.00 1.00 0.00 0.00 64.86 64.29 1xrq h ILE 254 Cb 1.32 2.71 -0.04 0.00 -0.74 0.00 0.00 36.82 40.07 1xrq h ILE 254 CO -0.20 0.58 0.41 -0.74 0.00 0.00 0.00 178.15 178.20 1xrq h HIS 255 N -0.28 1.11 0.00 1.37 2.76 -0.08 -1.21 115.15 118.82 1xrq h HIS 255 Ca -0.06 -0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.04 1xrq h HIS 255 Cb 1.21 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.81 1xrq h HIS 255 CO 0.16 0.78 -0.18 1.49 -1.30 0.00 0.00 177.93 178.89 1xrq h GLU 256 N 1.12 0.00 0.06 5.26 4.81 -0.37 -3.22 114.58 122.24 1xrq h GLU 256 Ca 0.28 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 59.16 1xrq h GLU 256 Cb 0.07 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 1xrq h GLU 256 CO -0.04 0.18 -2.02 1.63 -0.73 0.00 0.00 179.01 178.03 1xrq n LYS 257 N -3.55 0.70 -3.02 1.92 4.01 -0.86 -4.79 118.16 112.57 1xrq n LYS 257 Ca -0.01 0.23 -0.44 0.00 -0.51 0.00 0.00 58.31 57.58 1xrq n LYS 257 Cb 0.33 -1.69 -0.05 0.00 -0.51 0.00 0.00 35.03 33.11 1xrq n LYS 257 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1xrq s ILE 258 N -2.56 4.64 0.65 -0.18 1.01 -0.51 -4.32 121.20 119.93 1xrq s ILE 258 Ca -0.18 -0.44 -0.18 0.00 0.00 0.00 0.00 60.65 59.86 1xrq s ILE 258 Cb 0.07 -4.48 -0.01 0.00 0.01 0.00 0.00 42.46 38.06 1xrq s ILE 258 CO 0.77 -1.09 1.24 0.00 0.00 0.00 0.00 174.94 175.86 1xrq s ALA 259 N 3.22 2.37 -0.03 9.38 0.00 -1.26 -2.56 121.76 132.89 1xrq s ALA 259 Ca 0.19 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1xrq s ALA 259 Cb -0.19 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1xrq s ALA 259 CO 0.11 -1.51 0.00 0.41 0.00 0.00 0.00 175.76 174.77 1xrq n GLY 260 N 0.62 0.23 3.86 0.00 0.00 -1.26 -4.89 105.19 103.76 1xrq n GLY 260 Ca 0.14 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1xrq n GLY 260 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xrq s SER 261 N -2.02 6.69 0.26 1.61 1.04 -1.06 -4.51 113.70 115.71 1xrq s SER 261 Ca 0.00 1.22 0.06 0.00 0.48 0.00 0.00 55.95 57.70 1xrq s SER 261 Cb 0.00 -2.35 -0.03 0.00 0.10 0.00 0.00 66.02 63.74 1xrq s SER 261 CO 0.00 -0.26 0.33 -1.61 0.98 0.00 0.00 173.24 172.67 1xrq s GLU 262 N -3.25 3.23 -0.17 4.02 2.02 -0.10 -5.00 118.70 119.45 1xrq s GLU 262 Ca 0.53 -0.89 -0.04 0.00 0.02 0.00 0.00 54.97 54.58 1xrq s GLU 262 Cb -0.10 -2.78 0.07 0.00 0.10 0.00 0.00 34.13 31.42 1xrq s GLU 262 CO 0.22 0.36 0.13 -1.17 0.02 0.00 0.00 175.26 174.83 1xrq s LEU 263 N -3.97 0.17 -0.22 1.80 2.96 -1.26 -1.41 118.68 116.75 1xrq s LEU 263 Ca 0.35 -0.42 -0.03 0.00 -0.22 0.00 0.00 54.13 53.82 1xrq s LEU 263 Cb -0.09 -0.01 0.01 0.00 0.50 0.00 0.00 46.19 46.60 1xrq s LEU 263 CO 0.28 -0.33 -0.07 -1.00 -1.32 0.00 0.00 176.35 173.91 1xrq s HIS 264 N 2.21 2.96 -0.25 5.38 3.76 0.13 -5.00 115.29 124.48 1xrq s HIS 264 Ca 0.04 -1.22 -0.14 0.00 -0.15 0.00 0.00 55.06 53.60 1xrq s HIS 264 Cb -0.16 -2.07 -0.04 0.00 1.11 0.00 0.00 32.58 31.42 1xrq s HIS 264 CO -0.10 -0.64 0.31 0.08 -0.85 0.00 0.00 174.74 173.54 1xrq s VAL 265 N 1.41 5.24 -0.66 -0.90 1.01 -1.26 -1.74 120.40 123.50 1xrq s VAL 265 Ca 0.04 0.46 -0.23 0.00 0.00 0.00 0.00 61.98 62.25 1xrq s VAL 265 Cb -0.15 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 32.66 1xrq s VAL 265 CO -0.05 0.24 1.00 -0.36 0.00 0.00 0.00 175.10 175.92 1xrq s PHE 266 N 1.61 2.64 0.47 5.22 0.40 0.13 -4.83 117.98 123.62 1xrq s PHE 266 Ca 0.13 -0.44 -0.24 0.00 -0.60 0.00 0.00 56.93 55.78 1xrq s PHE 266 Cb -0.15 -4.31 -0.08 0.00 0.51 0.00 0.00 43.02 38.99 1xrq s PHE 266 CO 0.08 -1.67 1.29 0.54 0.70 0.00 0.00 175.22 176.16 1xrq n ARG 267 N 7.87 1.82 -1.44 0.44 5.12 -1.26 -0.59 116.66 128.62 1xrq n ARG 267 Ca -0.03 0.66 -0.15 0.00 -1.93 0.00 0.00 57.85 56.40 1xrq n ARG 267 Cb 0.46 -2.45 -0.06 0.00 -1.16 0.00 0.00 32.46 29.24 1xrq n ARG 267 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1xrq n ASP 268 N -0.25 -5.53 -4.33 0.55 10.43 -1.26 -4.82 116.55 111.33 1xrq n ASP 268 Ca 0.08 0.37 -0.23 0.00 2.57 0.00 0.00 54.79 57.58 1xrq n ASP 268 Cb 0.42 -4.36 -0.12 0.00 1.84 0.00 0.00 41.12 38.90 1xrq n ASP 268 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1xrq n SER 270 N 0.50 0.00 0.25 0.00 3.41 -1.26 -0.62 113.62 115.90 1xrq n SER 270 Ca -0.15 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.36 1xrq n SER 270 Cb 0.56 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.46 1xrq n SER 270 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1xrq h HIS 271 N 0.00 -0.63 0.00 7.33 2.76 -1.17 -3.09 115.15 120.35 1xrq h HIS 271 Ca 0.00 -0.01 -0.64 0.00 -2.20 0.00 0.00 60.37 57.51 1xrq h HIS 271 Cb 0.00 0.21 0.01 0.00 1.55 0.00 0.00 27.41 29.18 1xrq h HIS 271 CO 0.00 -0.39 3.44 1.28 -1.30 0.00 0.00 177.93 180.96 1xrq n LEU 272 N -4.87 7.55 0.26 0.26 4.77 -0.78 -4.66 117.00 119.54 1xrq n LEU 272 Ca -0.08 -4.04 0.10 0.00 -0.03 0.00 0.00 56.01 51.95 1xrq n LEU 272 Cb 0.27 -1.50 0.69 0.00 -2.33 0.00 0.00 43.42 40.55 1xrq n LEU 272 CO 0.20 1.52 1.08 0.71 -1.33 0.00 0.00 177.39 179.57 1xrq h THR 273 N 3.39 0.91 0.00 -5.08 1.35 -1.88 -1.68 112.91 109.92 1xrq h THR 273 Ca 0.73 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.59 1xrq h THR 273 Cb 0.38 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1xrq h THR 273 CO 1.78 0.00 0.04 1.15 -0.25 0.00 0.00 175.52 178.24 1xrq n MET 274 N -4.41 0.07 -0.05 4.72 0.00 -1.26 -1.01 117.12 115.17 1xrq n MET 274 Ca -0.02 0.55 -0.08 0.00 0.00 0.00 0.00 57.70 58.14 1xrq n MET 274 Cb 0.11 -1.77 -0.04 0.00 0.00 0.00 0.00 33.22 31.52 1xrq n MET 274 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 1xrq n TRP 275 N -1.86 0.00 0.31 3.17 7.02 -0.66 -3.53 117.44 121.89 1xrq n TRP 275 Ca -0.01 0.00 0.20 0.00 -1.02 0.00 0.00 57.50 56.68 1xrq n TRP 275 Cb 0.06 -0.39 1.03 0.00 -2.42 0.00 0.00 31.31 29.58 1xrq n TRP 275 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1xrq h GLU 276 N -0.12 0.00 -0.63 -0.99 5.08 -1.09 -3.17 114.58 113.66 1xrq h GLU 276 Ca -0.24 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.80 1xrq h GLU 276 Cb 1.32 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.33 1xrq h GLU 276 CO -0.08 0.00 -0.70 -3.47 -1.00 0.00 0.00 179.01 173.77 1xrq n ASP 277 N -2.98 -1.12 -0.20 1.42 -0.08 -0.18 -5.02 116.55 108.39 1xrq n ASP 277 Ca -0.02 -3.26 -0.06 0.00 -1.51 0.00 0.00 54.79 49.93 1xrq n ASP 277 Cb 0.12 0.91 -0.01 0.00 2.34 0.00 0.00 41.12 44.48 1xrq n ASP 277 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1xrq h ARG 278 N 2.86 -0.18 -0.06 -0.67 2.43 -1.59 0.68 114.38 117.84 1xrq h ARG 278 Ca -0.07 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1xrq h ARG 278 Cb 1.10 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1xrq h ARG 278 CO 0.23 -0.12 0.02 0.93 -1.51 0.00 0.00 179.97 179.52 1xrq h GLU 279 N -0.19 0.08 -0.66 0.20 3.07 -1.92 0.16 114.58 115.31 1xrq h GLU 279 Ca 0.21 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.04 1xrq h GLU 279 Cb 0.56 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.42 1xrq h GLU 279 CO -0.68 0.21 0.35 0.78 -1.40 0.00 0.00 179.01 178.26 1xrq h GLY 280 N -0.06 1.00 0.67 -3.84 0.00 -1.84 -0.78 103.07 98.22 1xrq h GLY 280 Ca 0.02 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1xrq h GLY 280 CO -0.00 0.45 -0.00 -1.82 0.00 0.00 0.00 176.54 175.16 1xrq h TYR 281 N 0.91 -0.01 -0.83 5.60 3.20 0.48 -2.36 116.97 123.96 1xrq h TYR 281 Ca 0.23 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.11 1xrq h TYR 281 Cb 0.07 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 1xrq h TYR 281 CO -0.00 0.32 0.55 -0.91 -1.64 0.00 0.00 178.16 176.48 1xrq h ASN 282 N -0.34 0.94 -0.33 -2.11 -0.26 -0.59 -2.55 115.58 110.35 1xrq h ASN 282 Ca -0.00 -0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.69 1xrq h ASN 282 Cb 0.33 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.35 1xrq h ASN 282 CO 0.00 0.67 0.09 0.50 -1.06 0.00 0.00 177.43 177.64 1xrq h LYS 283 N 1.11 0.51 0.28 0.81 3.64 -1.07 -1.57 116.57 120.28 1xrq h LYS 283 Ca 0.31 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1xrq h LYS 283 Cb -0.10 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 1xrq h LYS 283 CO -0.07 0.56 -0.28 1.25 -2.27 0.00 0.00 179.45 178.64 1xrq h LEU 284 N 0.37 -0.75 -0.47 5.20 5.85 -1.04 0.19 115.31 124.65 1xrq h LEU 284 Ca 0.10 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.93 1xrq h LEU 284 Cb 0.27 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 1xrq h LEU 284 CO -0.00 -0.40 0.24 -0.07 -0.34 0.00 0.00 178.44 177.87 1xrq h LEU 285 N -0.59 0.36 -0.64 2.25 4.07 -1.44 -0.11 115.31 119.21 1xrq h LEU 285 Ca -0.01 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 57.94 1xrq h LEU 285 Cb 0.54 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 42.21 1xrq h LEU 285 CO -0.06 0.25 0.29 0.77 -1.08 0.00 0.00 178.44 178.62 1xrq h SER 286 N 0.49 0.85 0.34 -0.43 4.64 -1.01 0.30 113.55 118.72 1xrq h SER 286 Ca 0.20 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1xrq h SER 286 Cb 0.10 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1xrq h SER 286 CO -0.13 0.76 -0.25 0.44 -0.87 0.00 0.00 176.83 176.78 1xrq h ASP 287 N 0.89 -0.63 -0.11 4.97 3.32 -0.17 -0.28 116.42 124.41 1xrq h ASP 287 Ca 0.22 0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.35 1xrq h ASP 287 Cb 0.15 0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.83 1xrq h ASP 287 CO -0.02 -0.38 -0.46 0.15 -1.72 0.00 0.00 179.24 176.81 1xrq h PHE 288 N -0.58 -1.33 -0.10 4.55 3.57 -0.63 0.18 116.94 122.60 1xrq h PHE 288 Ca -0.03 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.56 1xrq h PHE 288 Cb 0.50 0.60 -0.06 0.00 2.79 0.00 0.00 35.95 39.78 1xrq h PHE 288 CO -0.12 -0.51 -0.35 0.82 -2.23 0.00 0.00 178.31 175.92 1xrq h ILE 289 N -0.54 0.24 0.00 1.41 2.04 -0.22 -1.07 117.51 119.38 1xrq h ILE 289 Ca 0.06 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 1xrq h ILE 289 Cb 0.65 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1xrq h ILE 289 CO -0.40 0.00 -0.16 -0.07 0.00 0.00 0.00 178.15 177.52 1xrq h LEU 290 N -0.45 0.00 -0.87 1.44 3.38 -0.88 -2.19 115.31 115.73 1xrq h LEU 290 Ca 0.08 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1xrq h LEU 290 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1xrq h LEU 290 CO -0.34 0.16 -0.38 0.50 0.09 0.00 0.00 178.44 178.46 1xrq h LYS 291 N 0.00 0.00 -0.26 1.13 3.64 0.57 -3.04 116.57 118.61 1xrq h LYS 291 Ca -0.00 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 1xrq h LYS 291 Cb 0.40 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.10 1xrq h LYS 291 CO 0.02 0.38 -0.40 0.72 -2.27 0.00 0.00 179.45 177.90 1xrq n HIS 292 N -3.51 0.90 0.40 1.91 8.25 -0.60 -5.06 115.22 117.51 1xrq n HIS 292 Ca -0.00 -1.71 0.03 0.00 -0.26 0.00 0.00 57.72 55.79 1xrq n HIS 292 Cb 0.52 -0.37 0.19 0.00 1.12 0.00 0.00 29.99 31.46 1xrq n HIS 292 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87