#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rqr s PRO 9 N 0.00 3.91 -0.06 -0.14 0.04 -1.26 -4.82 135.00 132.67 1rqr s PRO 9 Ca 0.00 1.02 0.05 0.00 0.04 0.00 0.00 61.00 62.11 1rqr s PRO 9 Cb 0.00 -2.13 -0.00 0.00 0.04 0.00 0.00 34.50 32.41 1rqr s PRO 9 CO 0.00 -0.31 -0.21 0.42 0.04 0.00 0.00 177.00 176.94 1rqr s ILE 10 N -2.52 1.77 -0.21 0.56 1.01 -1.26 -1.35 121.20 119.21 1rqr s ILE 10 Ca 0.60 -0.90 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 1rqr s ILE 10 Cb -0.11 -1.52 -0.00 0.00 0.01 0.00 0.00 42.46 40.84 1rqr s ILE 10 CO 0.29 0.50 -0.08 -0.63 0.00 0.00 0.00 174.94 175.02 1rqr s ILE 11 N 0.05 3.11 -0.25 2.92 1.01 -0.77 -1.44 121.20 125.83 1rqr s ILE 11 Ca -0.07 -0.59 -0.11 0.00 0.00 0.00 0.00 60.65 59.88 1rqr s ILE 11 Cb -0.14 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 39.89 1rqr s ILE 11 CO 0.04 0.45 0.21 0.00 0.00 0.00 0.00 174.94 175.64 1rqr s ALA 12 N 1.40 3.58 0.44 9.38 0.00 -0.45 -1.36 121.76 134.75 1rqr s ALA 12 Ca 0.05 -0.90 0.07 0.00 0.00 0.00 0.00 51.96 51.18 1rqr s ALA 12 Cb -0.14 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.53 1rqr s ALA 12 CO -0.05 -0.32 0.24 0.12 0.00 0.00 0.00 175.76 175.74 1rqr s PHE 13 N 1.32 2.40 -3.66 0.00 5.36 -0.39 -1.26 117.98 121.76 1rqr s PHE 13 Ca 0.09 -0.64 0.00 0.00 -0.96 0.00 0.00 56.93 55.42 1rqr s PHE 13 Cb -0.14 -1.96 0.00 0.00 -0.34 0.00 0.00 43.02 40.58 1rqr s PHE 13 CO 0.07 0.03 0.00 -1.13 -1.46 0.00 0.00 175.22 172.73 1rqr n SER 15 N -1.38 0.00 -1.18 6.13 3.41 -1.03 -1.79 113.62 117.78 1rqr n SER 15 Ca -0.02 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.67 1rqr n SER 15 Cb 0.64 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.89 1rqr n SER 15 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1rqr n ASP 16 N 2.20 4.38 0.00 4.04 5.75 -1.14 -4.01 116.55 127.76 1rqr n ASP 16 Ca 0.00 -3.02 0.14 0.00 -0.01 0.00 0.00 54.79 51.90 1rqr n ASP 16 Cb 0.00 -0.59 0.62 0.00 -1.03 0.00 0.00 41.12 40.12 1rqr n ASP 16 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1rqr n LEU 17 N -0.22 0.00 -0.51 -2.12 4.77 -1.24 -4.85 117.00 112.83 1rqr n LEU 17 Ca 0.24 0.46 0.07 0.00 -0.03 0.00 0.00 56.01 56.75 1rqr n LEU 17 Cb 0.99 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 1rqr n LEU 17 CO 0.21 -0.02 -0.11 0.61 -1.33 0.00 0.00 177.39 176.75 1rqr n GLY 18 N 1.35 -1.66 0.57 -0.72 0.00 -0.24 -4.66 105.19 99.82 1rqr n GLY 18 Ca 0.08 -1.39 0.06 0.00 0.00 0.00 0.00 46.02 44.77 1rqr n GLY 18 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rqr n THR 19 N -2.39 1.87 0.41 2.61 -2.24 -1.26 -4.67 114.28 108.61 1rqr n THR 19 Ca -0.00 -2.73 0.10 0.00 -2.27 0.00 0.00 64.05 59.14 1rqr n THR 19 Cb 0.23 -0.10 -0.13 0.00 -2.10 0.00 0.00 70.33 68.23 1rqr n THR 19 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1rqr n THR 20 N -1.00 0.00 -3.19 4.28 -2.24 -1.26 -5.00 114.28 105.87 1rqr n THR 20 Ca 0.17 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1rqr n THR 20 Cb 0.72 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 1rqr n THR 20 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1rqr n ASP 21 N -1.86 0.52 -1.10 3.42 5.75 -1.26 -5.06 116.55 116.96 1rqr n ASP 21 Ca -0.00 -0.19 0.08 0.00 -0.01 0.00 0.00 54.79 54.67 1rqr n ASP 21 Cb 0.42 0.00 0.25 0.00 -1.03 0.00 0.00 41.12 40.76 1rqr n ASP 21 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1rqr n ASP 22 N -0.46 3.20 -0.08 -1.12 5.75 -1.26 -4.55 116.55 118.02 1rqr n ASP 22 Ca 0.00 -2.12 -0.09 0.00 -0.01 0.00 0.00 54.79 52.56 1rqr n ASP 22 Cb 0.00 -0.41 -0.02 0.00 -1.03 0.00 0.00 41.12 39.66 1rqr n ASP 22 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1rqr h SER 23 N 3.13 0.34 -0.41 -1.12 0.02 -1.91 -0.98 113.55 112.63 1rqr h SER 23 Ca 0.00 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1rqr h SER 23 Cb 0.88 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 1rqr h SER 23 CO 0.07 0.25 0.15 0.58 -1.14 0.00 0.00 176.83 176.74 1rqr h VAL 24 N 0.40 1.20 -0.93 2.27 2.07 -1.83 -2.75 116.25 116.69 1rqr h VAL 24 Ca 0.11 -0.64 0.10 0.00 0.82 0.00 0.00 66.70 67.09 1rqr h VAL 24 Cb -0.04 0.86 -0.08 0.00 -1.52 0.00 0.00 31.29 30.51 1rqr h VAL 24 CO -0.02 0.23 0.56 0.00 0.02 0.00 0.00 177.57 178.36 1rqr h ALA 25 N 1.00 1.35 -0.79 1.67 0.00 -1.78 0.27 119.26 120.98 1rqr h ALA 25 Ca 0.14 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1rqr h ALA 25 Cb 0.21 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1rqr h ALA 25 CO -0.01 0.20 0.49 1.96 0.00 0.00 0.00 179.25 181.89 1rqr h GLN 26 N 0.93 0.91 -0.19 0.00 4.20 -0.90 0.12 115.11 120.18 1rqr h GLN 26 Ca 0.45 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 59.07 1rqr h GLN 26 Cb 0.40 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1rqr h GLN 26 CO -0.25 0.60 -0.03 0.00 -0.67 0.00 0.00 178.83 178.49 1rqr h LYS 28 N 0.08 1.06 -0.52 0.00 1.57 -0.34 -2.31 116.57 116.10 1rqr h LYS 28 Ca 0.05 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1rqr h LYS 28 Cb 0.45 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1rqr h LYS 28 CO 0.01 0.70 0.19 0.78 -0.57 0.00 0.00 179.45 180.56 1rqr h GLY 29 N 1.09 0.86 -2.89 3.86 0.00 -0.74 -1.97 103.07 103.28 1rqr h GLY 29 Ca 0.45 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1rqr h GLY 29 CO -0.21 0.46 0.00 1.04 0.00 0.00 0.00 176.54 177.82 1rqr n LEU 30 N -4.51 1.64 0.00 3.11 4.77 -0.87 -1.06 117.00 120.08 1rqr n LEU 30 Ca 0.02 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 1rqr n LEU 30 Cb 0.18 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1rqr n LEU 30 CO 0.39 0.30 0.00 -1.22 -1.33 0.00 0.00 177.39 175.52 1rqr n TYR 32 N 1.36 0.00 -0.23 -1.77 4.01 -0.74 -2.01 117.16 117.78 1rqr n TYR 32 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1rqr n TYR 32 Cb 0.19 0.00 0.23 0.00 -0.31 0.00 0.00 39.34 39.45 1rqr n TYR 32 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1rqr h SER 33 N 0.00 0.89 0.11 7.72 0.02 -1.36 -3.03 113.55 117.90 1rqr h SER 33 Ca 0.00 -0.03 -0.37 0.00 -0.84 0.00 0.00 61.79 60.56 1rqr h SER 33 Cb 0.00 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.27 1rqr h SER 33 CO 0.00 0.65 -2.19 -0.38 -1.14 0.00 0.00 176.83 173.77 1rqr n ILE 34 N -4.41 1.61 -3.68 3.27 5.41 -0.85 -4.66 119.36 116.05 1rqr n ILE 34 Ca 0.08 -0.66 -0.28 0.00 1.00 0.00 0.00 62.75 62.89 1rqr n ILE 34 Cb 0.03 -1.39 -0.12 0.00 -0.71 0.00 0.00 39.64 37.46 1rqr n ILE 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1rqr h PRO 36 N 5.94 0.00 -0.65 0.00 0.11 -1.80 -2.21 132.00 133.40 1rqr h PRO 36 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1rqr h PRO 36 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1rqr h PRO 36 CO 0.53 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 177.94 1rqr n ASP 37 N -4.42 3.50 -4.79 -2.05 5.75 -1.26 -4.94 116.55 108.34 1rqr n ASP 37 Ca -0.03 -2.39 -0.36 0.00 -0.01 0.00 0.00 54.79 52.00 1rqr n ASP 37 Cb 0.11 -0.52 -0.06 0.00 -1.03 0.00 0.00 41.12 39.62 1rqr n ASP 37 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1rqr s VAL 38 N -1.87 4.06 -0.22 2.12 0.11 -0.83 -4.22 120.40 119.55 1rqr s VAL 38 Ca 0.33 1.58 -0.07 0.00 -2.93 0.00 0.00 61.98 60.90 1rqr s VAL 38 Cb 0.23 -3.82 -0.03 0.00 -1.53 0.00 0.00 36.38 31.23 1rqr s VAL 38 CO 0.14 0.01 0.05 -0.89 -3.33 0.00 0.00 175.10 171.08 1rqr s THR 39 N -1.73 4.30 -0.40 5.04 2.01 -0.45 -5.00 115.64 119.41 1rqr s THR 39 Ca 0.55 -0.19 -0.11 0.00 0.31 0.00 0.00 61.69 62.25 1rqr s THR 39 Cb -0.18 -2.98 0.04 0.00 0.01 0.00 0.00 72.50 69.39 1rqr s THR 39 CO 0.23 0.39 0.24 -0.69 -0.69 0.00 0.00 174.62 174.10 1rqr s VAL 40 N 1.21 4.58 -0.35 3.82 1.01 -1.26 -1.85 120.40 127.55 1rqr s VAL 40 Ca 0.04 -1.01 -0.17 0.00 0.00 0.00 0.00 61.98 60.84 1rqr s VAL 40 Cb -0.14 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 1rqr s VAL 40 CO 0.03 -0.34 0.46 -0.69 0.00 0.00 0.00 175.10 174.55 1rqr s VAL 41 N 1.53 5.07 0.07 2.92 1.01 -0.46 -4.99 120.40 125.55 1rqr s VAL 41 Ca 0.02 0.19 -0.31 0.00 0.00 0.00 0.00 61.98 61.89 1rqr s VAL 41 Cb -0.21 -3.92 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 1rqr s VAL 41 CO 0.06 -0.19 1.68 -1.81 0.00 0.00 0.00 175.10 174.84 1rqr s ASP 42 N 1.76 6.58 -0.02 3.32 1.01 -1.26 -1.26 116.67 126.79 1rqr s ASP 42 Ca 0.16 2.51 -0.01 0.00 0.71 0.00 0.00 52.55 55.92 1rqr s ASP 42 Cb -0.16 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.20 1rqr s ASP 42 CO 0.13 -0.91 0.12 0.58 0.21 0.00 0.00 175.17 175.30 1rqr h VAL 43 N 4.85 0.00 0.00 -1.27 2.07 -1.69 -3.46 116.25 116.75 1rqr h VAL 43 Ca -0.43 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1rqr h VAL 43 Cb 1.20 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1rqr h VAL 43 CO 0.93 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.52 1rqr n HIS 45 N -0.04 0.00 -3.04 0.00 8.25 -1.26 -2.46 115.22 116.67 1rqr n HIS 45 Ca 0.00 -0.48 -0.44 0.00 -0.26 0.00 0.00 57.72 56.54 1rqr n HIS 45 Cb 0.00 -0.06 -0.04 0.00 1.12 0.00 0.00 29.99 31.00 1rqr n HIS 45 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1rqr s SER 46 N -1.23 6.18 -0.27 0.41 0.01 -1.26 -1.08 113.70 116.46 1rqr s SER 46 Ca 0.07 -1.26 -0.14 0.00 1.31 0.00 0.00 55.95 55.93 1rqr s SER 46 Cb 0.06 -2.34 -0.04 0.00 0.21 0.00 0.00 66.02 63.92 1rqr s SER 46 CO 0.01 -1.20 0.34 -0.89 0.41 0.00 0.00 173.24 171.91 1rqr s THR 48 N 3.10 5.20 0.22 1.44 2.01 -1.26 -4.98 115.64 121.37 1rqr s THR 48 Ca 0.15 0.50 -0.31 0.00 0.31 0.00 0.00 61.69 62.34 1rqr s THR 48 Cb -0.22 -3.67 -0.15 0.00 0.01 0.00 0.00 72.50 68.48 1rqr s THR 48 CO 0.08 0.18 1.05 -2.65 -0.69 0.00 0.00 174.62 172.59 1rqr n PRO 49 N 5.25 1.14 -0.63 4.92 -0.02 -1.26 -2.22 135.00 142.18 1rqr n PRO 49 Ca -0.09 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1rqr n PRO 49 Cb 0.51 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 1rqr n PRO 49 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1rqr n TRP 50 N 0.88 0.00 -2.83 6.00 8.01 -1.26 -4.92 117.44 123.32 1rqr n TRP 50 Ca 0.13 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.89 1rqr n TRP 50 Cb 0.27 -0.58 -0.01 0.00 -2.01 0.00 0.00 31.31 28.98 1rqr n TRP 50 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1rqr s ASP 51 N -2.70 6.83 0.44 -0.99 -1.08 -0.94 -4.86 116.67 113.38 1rqr s ASP 51 Ca 0.00 -2.44 0.19 0.00 -0.52 0.00 0.00 52.55 49.78 1rqr s ASP 51 Cb 0.00 -2.45 1.04 0.00 -1.46 0.00 0.00 42.92 40.05 1rqr s ASP 51 CO 0.00 -1.00 1.94 -0.37 0.52 0.00 0.00 175.17 176.26 1rqr h VAL 52 N 5.42 0.94 -0.34 1.11 -1.51 -1.91 -2.48 116.25 117.46 1rqr h VAL 52 Ca 0.28 -0.89 -0.06 0.00 -1.23 0.00 0.00 66.70 64.80 1rqr h VAL 52 Cb 0.93 1.52 -0.02 0.00 -2.13 0.00 0.00 31.29 31.59 1rqr h VAL 52 CO 1.26 0.23 -0.04 -0.33 -1.23 0.00 0.00 177.57 177.47 1rqr h GLU 53 N 0.00 0.55 0.00 5.19 3.07 -1.92 -1.82 114.58 119.66 1rqr h GLU 53 Ca -0.00 -0.13 -0.07 0.00 -0.50 0.00 0.00 59.36 58.65 1rqr h GLU 53 Cb 0.50 -0.07 0.01 0.00 -0.84 0.00 0.00 28.75 28.34 1rqr h GLU 53 CO 0.03 0.60 -0.28 1.49 -1.40 0.00 0.00 179.01 179.45 1rqr h GLU 54 N 0.52 0.19 -0.97 2.33 4.81 -1.85 -2.88 114.58 116.72 1rqr h GLU 54 Ca 0.11 -0.21 0.16 0.00 -0.13 0.00 0.00 59.36 59.29 1rqr h GLU 54 Cb 0.39 0.06 -0.10 0.00 0.63 0.00 0.00 28.75 29.73 1rqr h GLU 54 CO 0.02 0.95 0.58 0.78 -0.73 0.00 0.00 179.01 180.60 1rqr h GLY 55 N -0.48 1.67 1.00 1.92 0.00 -1.45 -1.76 103.07 103.96 1rqr h GLY 55 Ca -0.04 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1rqr h GLY 55 CO 0.06 0.00 0.30 0.00 0.00 0.00 0.00 176.54 176.90 1rqr h ALA 56 N 1.60 0.61 -0.93 3.60 0.00 -1.34 -2.44 119.26 120.36 1rqr h ALA 56 Ca 0.53 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.54 1rqr h ALA 56 Cb 0.74 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 1rqr h ALA 56 CO -0.35 0.07 0.59 -0.09 0.00 0.00 0.00 179.25 179.48 1rqr h ARG 57 N 0.64 0.74 -0.00 0.00 2.43 -1.10 -2.13 114.38 114.97 1rqr h ARG 57 Ca 0.17 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1rqr h ARG 57 Cb -0.04 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.34 1rqr h ARG 57 CO -0.03 0.49 -0.06 0.66 -1.51 0.00 0.00 179.97 179.52 1rqr n TYR 58 N -4.59 0.00 -0.00 2.20 4.01 -0.93 -4.08 117.16 113.77 1rqr n TYR 58 Ca 0.18 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.93 1rqr n TYR 58 Cb 0.46 -0.28 -0.02 0.00 -0.31 0.00 0.00 39.34 39.19 1rqr n TYR 58 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 1rqr n ILE 59 N -1.22 0.03 0.15 -0.72 -5.35 -0.85 -4.82 119.36 106.58 1rqr n ILE 59 Ca 0.13 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 1rqr n ILE 59 Cb 0.27 0.20 0.21 0.00 -1.74 0.00 0.00 39.64 38.57 1rqr n ILE 59 CO 0.00 0.00 0.00 1.62 -1.76 0.00 0.00 176.55 176.41 1rqr h VAL 60 N 0.00 1.31 -0.01 7.28 3.04 -1.56 -2.88 116.25 123.42 1rqr h VAL 60 Ca -0.01 -1.97 0.00 0.00 -1.01 0.00 0.00 66.70 63.70 1rqr h VAL 60 Cb 0.31 2.09 0.00 0.00 -2.01 0.00 0.00 31.29 31.68 1rqr h VAL 60 CO 0.00 0.55 -0.01 0.47 -1.01 0.00 0.00 177.57 177.57 1rqr n ASP 61 N -3.74 1.47 -0.08 3.17 8.00 -1.26 -4.58 116.55 119.53 1rqr n ASP 61 Ca -0.01 -1.47 -0.13 0.00 0.71 0.00 0.00 54.79 53.89 1rqr n ASP 61 Cb 0.59 0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.64 1rqr n ASP 61 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1rqr h LEU 62 N 2.29 0.55 -0.68 0.64 3.38 -1.83 -3.38 115.31 116.28 1rqr h LEU 62 Ca 0.00 -0.45 0.14 0.00 0.09 0.00 0.00 57.88 57.66 1rqr h LEU 62 Cb 0.50 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 40.99 1rqr h LEU 62 CO 0.00 0.89 0.14 -0.65 0.09 0.00 0.00 178.44 178.90 1rqr h PRO 63 N 0.22 0.24 0.00 1.13 0.11 -1.81 -1.39 132.00 130.49 1rqr h PRO 63 Ca 0.04 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 1rqr h PRO 63 Cb 0.72 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.77 1rqr h PRO 63 CO 0.05 0.16 -0.00 0.07 -0.21 0.00 0.00 178.00 178.06 1rqr h ARG 64 N 0.25 0.00 0.00 1.05 0.11 -1.75 -1.98 114.38 112.06 1rqr h ARG 64 Ca 0.37 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.45 1rqr h ARG 64 Cb 0.60 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.68 1rqr h ARG 64 CO -0.48 0.00 -0.02 1.19 0.10 0.00 0.00 179.97 180.76 1rqr n PHE 65 N -3.64 0.93 -4.16 4.08 3.72 -0.52 -4.69 117.46 113.17 1rqr n PHE 65 Ca -0.03 0.27 -0.27 0.00 -0.05 0.00 0.00 57.45 57.37 1rqr n PHE 65 Cb 0.08 -0.94 -0.07 0.00 -0.94 0.00 0.00 39.48 37.61 1rqr n PHE 65 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1rqr s PHE 66 N -3.10 2.94 0.42 1.38 0.08 -0.75 -5.10 117.98 113.85 1rqr s PHE 66 Ca 0.10 -0.09 -0.26 0.00 0.12 0.00 0.00 56.93 56.80 1rqr s PHE 66 Cb 0.12 -1.43 -0.10 0.00 -0.57 0.00 0.00 43.02 41.04 1rqr s PHE 66 CO 0.60 0.52 1.27 -2.30 -0.10 0.00 0.00 175.22 175.21 1rqr n PRO 67 N -0.12 1.94 -1.76 0.24 -0.02 -1.26 -4.93 135.00 129.10 1rqr n PRO 67 Ca -0.09 0.69 -0.41 0.00 -2.02 0.00 0.00 63.50 61.66 1rqr n PRO 67 Cb 0.55 -2.38 -0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1rqr n PRO 67 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1rqr n GLU 68 N 0.08 2.60 0.00 -0.52 1.02 -1.26 -2.37 120.64 120.19 1rqr n GLU 68 Ca 0.06 0.91 0.00 0.00 -0.02 0.00 0.00 57.16 58.12 1rqr n GLU 68 Cb 0.39 -2.63 0.00 0.00 -0.02 0.00 0.00 31.44 29.18 1rqr n GLU 68 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rqr n GLY 69 N 0.77 0.28 3.77 0.62 0.00 0.54 -5.05 105.19 106.12 1rqr n GLY 69 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1rqr n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rqr s THR 70 N -2.00 2.19 -0.20 2.61 2.01 -1.00 -4.70 115.64 114.55 1rqr s THR 70 Ca 0.00 0.17 -0.03 0.00 0.31 0.00 0.00 61.69 62.14 1rqr s THR 70 Cb 0.00 -3.10 -0.01 0.00 0.01 0.00 0.00 72.50 69.40 1rqr s THR 70 CO 0.00 0.02 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.20 1rqr s VAL 71 N -1.21 3.31 -0.23 3.82 1.01 -0.52 -2.90 120.40 123.67 1rqr s VAL 71 Ca 0.60 -0.53 -0.18 0.00 0.00 0.00 0.00 61.98 61.88 1rqr s VAL 71 Cb -0.43 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 1rqr s VAL 71 CO 0.55 0.45 0.49 -0.36 0.00 0.00 0.00 175.10 176.23 1rqr s PHE 72 N 1.23 3.32 -0.37 5.22 0.08 0.71 -1.35 117.98 126.81 1rqr s PHE 72 Ca 0.03 0.67 -0.05 0.00 0.12 0.00 0.00 56.93 57.69 1rqr s PHE 72 Cb -0.14 -2.67 0.07 0.00 -0.57 0.00 0.00 43.02 39.71 1rqr s PHE 72 CO -0.02 -0.18 0.16 0.00 -0.10 0.00 0.00 175.22 175.08 1rqr s ALA 73 N 1.93 3.10 -0.09 5.36 0.00 -0.39 -1.22 121.76 130.47 1rqr s ALA 73 Ca 0.21 -2.09 -0.00 0.00 0.00 0.00 0.00 51.96 50.08 1rqr s ALA 73 Cb -0.15 -2.36 0.02 0.00 0.00 0.00 0.00 23.12 20.63 1rqr s ALA 73 CO 0.09 -1.55 -0.05 0.95 0.00 0.00 0.00 175.76 175.20 1rqr s THR 74 N 1.31 0.78 -0.21 0.00 -4.23 -0.81 -4.21 115.64 108.27 1rqr s THR 74 Ca 0.02 -0.16 -0.09 0.00 -1.18 0.00 0.00 61.69 60.28 1rqr s THR 74 Cb -0.22 -0.83 0.09 0.00 1.34 0.00 0.00 72.50 72.88 1rqr s THR 74 CO -0.00 0.32 0.47 0.28 -0.54 0.00 0.00 174.62 175.14 1rqr s THR 75 N 1.60 -0.46 -0.08 3.99 -1.32 -1.26 -4.03 115.64 114.07 1rqr s THR 75 Ca 0.01 0.11 0.04 0.00 -1.21 0.00 0.00 61.69 60.64 1rqr s THR 75 Cb -0.13 -0.72 0.00 0.00 -1.51 0.00 0.00 72.50 70.15 1rqr s THR 75 CO -0.05 0.05 -0.20 0.28 -2.21 0.00 0.00 174.62 172.48 1rqr s THR 76 N 2.23 1.76 -0.48 5.08 -1.32 -1.26 -2.90 115.64 118.74 1rqr s THR 76 Ca -0.05 -0.85 0.08 0.00 -1.21 0.00 0.00 61.69 59.66 1rqr s THR 76 Cb -0.10 -1.53 0.29 0.00 -1.51 0.00 0.00 72.50 69.65 1rqr s THR 76 CO -0.14 0.49 0.71 0.00 -2.21 0.00 0.00 174.62 173.48 1rqr n TYR 77 N 3.53 1.57 0.31 9.09 -0.00 -1.26 -4.80 117.16 125.60 1rqr n TYR 77 Ca -0.20 -3.85 0.19 0.00 -0.00 0.00 0.00 57.90 54.04 1rqr n TYR 77 Cb 0.53 -0.44 1.03 0.00 -0.00 0.00 0.00 39.34 40.45 1rqr n TYR 77 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.86 175.86 1rqr h PRO 78 N 3.57 0.00 -0.90 2.98 0.13 -1.99 -2.11 132.00 133.68 1rqr h PRO 78 Ca 0.12 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.03 1rqr h PRO 78 Cb 0.78 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.78 1rqr h PRO 78 CO 0.63 0.00 0.27 0.00 -0.23 0.00 0.00 178.00 178.67 1rqr n ALA 79 N -2.18 4.11 -1.78 -0.56 0.00 -1.26 -4.95 120.51 113.89 1rqr n ALA 79 Ca -0.02 -1.64 -0.41 0.00 0.00 0.00 0.00 53.44 51.37 1rqr n ALA 79 Cb 0.14 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 1rqr n ALA 79 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1rqr s THR 80 N -2.13 2.21 0.00 0.00 -1.32 -0.79 -2.39 115.64 111.21 1rqr s THR 80 Ca 0.36 0.20 0.00 0.00 -1.21 0.00 0.00 61.69 61.05 1rqr s THR 80 Cb 0.29 -3.13 0.00 0.00 -1.51 0.00 0.00 72.50 68.15 1rqr s THR 80 CO 0.08 0.05 0.00 0.61 -2.21 0.00 0.00 174.62 173.15 1rqr n GLY 81 N 0.69 0.77 3.95 6.08 0.00 0.73 -4.80 105.19 112.61 1rqr n GLY 81 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 1rqr n GLY 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rqr s THR 82 N -2.86 2.17 -1.14 2.61 -4.23 -1.01 -4.99 115.64 106.19 1rqr s THR 82 Ca 0.00 -1.24 0.05 0.00 -1.18 0.00 0.00 61.69 59.32 1rqr s THR 82 Cb 0.00 -2.41 0.06 0.00 1.34 0.00 0.00 72.50 71.49 1rqr s THR 82 CO 0.00 0.00 1.11 0.35 -0.54 0.00 0.00 174.62 175.54 1rqr n THR 83 N -1.90 1.43 -1.74 3.99 -2.24 -1.26 -4.78 114.28 107.79 1rqr n THR 83 Ca 0.07 0.36 -0.40 0.00 -2.27 0.00 0.00 64.05 61.81 1rqr n THR 83 Cb 0.62 -1.27 0.02 0.00 -2.10 0.00 0.00 70.33 67.60 1rqr n THR 83 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1rqr n THR 84 N -1.43 3.06 -4.21 4.28 5.66 -1.26 -5.03 114.28 115.35 1rqr n THR 84 Ca 0.02 -0.50 -0.19 0.00 -3.05 0.00 0.00 64.05 60.32 1rqr n THR 84 Cb 0.05 -1.72 -0.12 0.00 -1.55 0.00 0.00 70.33 66.99 1rqr n THR 84 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1rqr s ARG 85 N -2.53 0.87 1.17 1.09 1.81 -1.26 -5.00 118.95 115.10 1rqr s ARG 85 Ca 0.64 -0.95 -0.19 0.00 -1.72 0.00 0.00 55.73 53.51 1rqr s ARG 85 Cb -0.45 -0.90 0.28 0.00 -0.45 0.00 0.00 34.95 33.43 1rqr s ARG 85 CO 0.55 0.20 1.15 -1.12 -0.68 0.00 0.00 175.30 175.40 1rqr s SER 86 N -1.68 1.19 -0.02 0.23 0.01 -1.26 -4.11 113.70 108.05 1rqr s SER 86 Ca -0.01 0.53 0.03 0.00 1.31 0.00 0.00 55.95 57.82 1rqr s SER 86 Cb -0.10 -0.71 -0.00 0.00 0.21 0.00 0.00 66.02 65.42 1rqr s SER 86 CO 0.02 -3.95 -0.11 0.54 0.41 0.00 0.00 173.24 170.16 1rqr s VAL 87 N -3.16 0.89 -0.13 3.43 0.11 0.19 -1.98 120.40 119.75 1rqr s VAL 87 Ca 0.72 -0.44 0.01 0.00 -2.93 0.00 0.00 61.98 59.34 1rqr s VAL 87 Cb -0.08 -0.78 -0.01 0.00 -1.53 0.00 0.00 36.38 33.98 1rqr s VAL 87 CO 0.55 0.27 -0.15 0.00 -3.33 0.00 0.00 175.10 172.44 1rqr s ALA 88 N 0.03 2.51 0.01 1.54 0.00 -0.43 -1.52 121.76 123.90 1rqr s ALA 88 Ca -0.01 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.05 1rqr s ALA 88 Cb -0.08 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 21.89 1rqr s ALA 88 CO 0.00 0.20 -0.10 0.14 0.00 0.00 0.00 175.76 176.00 1rqr s VAL 89 N 0.44 0.82 -0.15 0.00 -7.23 -0.30 -1.08 120.40 112.91 1rqr s VAL 89 Ca -0.11 -0.60 -0.19 0.00 -1.81 0.00 0.00 61.98 59.27 1rqr s VAL 89 Cb -0.16 -0.72 -0.04 0.00 0.56 0.00 0.00 36.38 36.02 1rqr s VAL 89 CO 0.05 0.12 0.51 -0.60 -0.31 0.00 0.00 175.10 174.87 1rqr s ARG 90 N -0.54 4.29 0.63 4.82 3.52 -0.76 -1.45 118.95 129.45 1rqr s ARG 90 Ca 0.02 0.46 -0.08 0.00 -0.13 0.00 0.00 55.73 56.00 1rqr s ARG 90 Cb -0.05 -3.48 0.01 0.00 -1.56 0.00 0.00 34.95 29.86 1rqr s ARG 90 CO 0.00 0.03 0.97 0.96 -0.81 0.00 0.00 175.30 176.46 1rqr s ILE 91 N 1.02 3.69 0.00 4.11 -4.36 -0.88 -1.55 121.20 123.24 1rqr s ILE 91 Ca 0.26 0.23 0.00 0.00 -0.26 0.00 0.00 60.65 60.88 1rqr s ILE 91 Cb -0.15 -3.50 0.00 0.00 1.25 0.00 0.00 42.46 40.06 1rqr s ILE 91 CO 0.10 -0.57 0.00 1.17 0.24 0.00 0.00 174.94 175.88 1rqr n LYS 92 N -2.73 0.00 -2.23 0.37 4.81 -1.15 -3.08 118.16 114.15 1rqr n LYS 92 Ca 0.05 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.07 1rqr n LYS 92 Cb 0.57 -0.04 -0.03 0.00 0.02 0.00 0.00 35.03 35.55 1rqr n LYS 92 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1rqr s GLN 93 N 0.00 4.34 0.43 1.64 -1.52 -0.17 -2.04 119.66 122.33 1rqr s GLN 93 Ca 0.00 2.00 0.12 0.00 -1.95 0.00 0.00 55.36 55.53 1rqr s GLN 93 Cb 0.00 -3.29 0.93 0.00 -0.22 0.00 0.00 33.01 30.43 1rqr s GLN 93 CO 0.00 -0.41 1.99 0.00 -0.25 0.00 0.00 175.29 176.62 1rqr h ALA 94 N 6.87 1.66 -1.57 6.09 0.00 -1.84 -3.42 119.26 127.05 1rqr h ALA 94 Ca -0.42 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1rqr h ALA 94 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1rqr h ALA 94 CO 0.86 0.25 -0.34 0.00 0.00 0.00 0.00 179.25 180.02 1rqr n ALA 95 N -2.50 -2.66 -0.96 0.00 0.00 -1.26 -4.08 120.51 109.05 1rqr n ALA 95 Ca -0.01 0.17 -0.29 0.00 0.00 0.00 0.00 53.44 53.31 1rqr n ALA 95 Cb 0.21 -0.84 0.20 0.00 0.00 0.00 0.00 19.45 19.02 1rqr n ALA 95 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1rqr s LYS 96 N -3.16 0.09 0.12 0.00 1.02 -1.26 -4.59 119.74 111.97 1rqr s LYS 96 Ca 0.00 0.68 -0.05 0.00 0.02 0.00 0.00 55.97 56.63 1rqr s LYS 96 Cb 0.00 -1.68 0.02 0.00 -0.52 0.00 0.00 37.83 35.65 1rqr s LYS 96 CO 0.00 -3.00 0.26 0.41 -0.92 0.00 0.00 175.35 172.10 1rqr n GLY 97 N -0.45 1.61 2.44 -3.33 0.00 -0.66 -4.74 105.19 100.06 1rqr n GLY 97 Ca 0.05 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1rqr n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rqr n GLY 98 N -0.18 -1.78 0.11 -0.02 0.00 -1.25 -1.69 105.19 100.39 1rqr n GLY 98 Ca -0.03 -1.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.09 1rqr n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rqr h ALA 99 N 0.00 0.26 0.01 4.61 0.00 -1.76 -2.93 119.26 119.45 1rqr h ALA 99 Ca 0.00 -0.83 -0.17 0.00 0.00 0.00 0.00 54.91 53.91 1rqr h ALA 99 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1rqr h ALA 99 CO 0.00 0.98 -0.94 0.00 0.00 0.00 0.00 179.25 179.29 1rqr h ARG 100 N 0.09 0.03 0.00 0.00 2.47 -1.94 -3.47 114.38 111.56 1rqr h ARG 100 Ca -0.09 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 1rqr h ARG 100 Cb 1.79 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 30.13 1rqr h ARG 100 CO 0.17 1.02 0.00 0.41 0.56 0.00 0.00 179.97 182.14 1rqr n GLY 101 N 1.52 0.44 3.52 0.04 0.00 -1.17 -5.04 105.19 104.49 1rqr n GLY 101 Ca -0.25 -0.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 1rqr n GLY 101 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1rqr s GLN 102 N -0.01 1.38 0.42 1.61 -2.07 -0.68 -4.78 119.66 115.53 1rqr s GLN 102 Ca 0.00 -0.58 -0.23 0.00 -1.82 0.00 0.00 55.36 52.73 1rqr s GLN 102 Cb 0.00 0.59 -0.09 0.00 -1.09 0.00 0.00 33.01 32.42 1rqr s GLN 102 CO 0.00 -0.61 1.05 -1.58 -1.32 0.00 0.00 175.29 172.83 1rqr s TRP 103 N -3.77 3.17 0.41 9.60 0.52 -1.26 -1.66 118.94 125.94 1rqr s TRP 103 Ca 0.03 1.62 -0.13 0.00 0.02 0.00 0.00 56.10 57.64 1rqr s TRP 103 Cb -0.02 -3.13 -0.07 0.00 -1.15 0.00 0.00 33.47 29.10 1rqr s TRP 103 CO -0.09 -0.74 0.80 0.00 0.02 0.00 0.00 176.95 176.95 1rqr s ALA 104 N -1.73 3.29 0.00 0.98 0.00 -1.26 -4.52 121.76 118.51 1rqr s ALA 104 Ca 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1rqr s ALA 104 Cb -0.21 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1rqr s ALA 104 CO 0.26 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.46 1rqr n GLY 105 N -1.12 1.32 3.76 0.00 0.00 -1.26 -1.20 105.19 106.69 1rqr n GLY 105 Ca 0.03 -2.27 -0.30 0.00 0.00 0.00 0.00 46.02 43.49 1rqr n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rqr s SER 106 N 0.00 3.94 1.01 1.61 1.04 -1.26 -4.37 113.70 115.67 1rqr s SER 106 Ca 0.00 1.41 0.00 0.00 0.48 0.00 0.00 55.95 57.84 1rqr s SER 106 Cb 0.00 -2.11 0.00 0.00 0.10 0.00 0.00 66.02 64.01 1rqr s SER 106 CO 0.00 -2.33 0.00 0.61 0.98 0.00 0.00 173.24 172.50 1rqr n GLY 107 N -1.57 2.84 0.03 7.32 0.00 -1.26 -1.60 105.19 110.96 1rqr n GLY 107 Ca 0.07 -0.39 0.16 0.00 0.00 0.00 0.00 46.02 45.86 1rqr n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rqr n ALA 108 N 9.21 2.67 0.00 4.61 0.00 -1.26 -5.01 120.51 130.73 1rqr n ALA 108 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1rqr n ALA 108 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 17.96 1rqr n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rqr n GLY 109 N 1.03 1.95 3.55 0.00 0.00 -0.62 -4.45 105.19 106.64 1rqr n GLY 109 Ca 0.23 -1.85 -0.36 0.00 0.00 0.00 0.00 46.02 44.04 1rqr n GLY 109 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rqr s PHE 110 N -2.85 1.66 0.24 1.61 0.08 -0.34 -4.92 117.98 113.45 1rqr s PHE 110 Ca 0.00 0.79 -0.30 0.00 0.12 0.00 0.00 56.93 57.54 1rqr s PHE 110 Cb 0.00 -4.06 -0.10 0.00 -0.57 0.00 0.00 43.02 38.28 1rqr s PHE 110 CO 0.00 -2.22 1.50 -2.00 -0.10 0.00 0.00 175.22 172.40 1rqr s GLU 111 N 7.08 4.23 -0.07 0.44 2.12 -1.26 -4.53 118.70 126.71 1rqr s GLU 111 Ca 0.69 2.37 0.04 0.00 0.36 0.00 0.00 54.97 58.43 1rqr s GLU 111 Cb -0.12 -3.10 -0.02 0.00 0.26 0.00 0.00 34.13 31.15 1rqr s GLU 111 CO 0.17 -0.51 -0.20 1.03 -0.54 0.00 0.00 175.26 175.21 1rqr s ARG 112 N -0.01 2.71 0.87 4.30 1.81 -1.26 -5.12 118.95 122.25 1rqr s ARG 112 Ca 0.63 -0.81 -0.11 0.00 -1.72 0.00 0.00 55.73 53.72 1rqr s ARG 112 Cb -0.43 -2.31 0.12 0.00 -0.45 0.00 0.00 34.95 31.88 1rqr s ARG 112 CO 0.41 0.41 1.14 0.00 -0.68 0.00 0.00 175.30 176.58 1rqr s ALA 113 N -0.20 1.67 0.80 2.13 0.00 -1.26 -4.70 121.76 120.20 1rqr s ALA 113 Ca -0.01 0.56 -0.12 0.00 0.00 0.00 0.00 51.96 52.39 1rqr s ALA 113 Cb -0.13 -3.42 0.07 0.00 0.00 0.00 0.00 23.12 19.63 1rqr s ALA 113 CO 0.03 -2.51 1.10 -1.21 0.00 0.00 0.00 175.76 173.18 1rqr s GLU 114 N -4.64 2.09 -1.31 0.00 2.02 -1.26 -4.11 118.70 111.49 1rqr s GLU 114 Ca 0.66 0.60 0.00 0.00 0.02 0.00 0.00 54.97 56.25 1rqr s GLU 114 Cb -0.22 -1.92 0.00 0.00 0.10 0.00 0.00 34.13 32.08 1rqr s GLU 114 CO 0.57 -1.61 0.00 0.41 0.02 0.00 0.00 175.26 174.65 1rqr n GLY 115 N -2.20 0.17 0.57 -1.39 0.00 -0.87 -4.88 105.19 96.60 1rqr n GLY 115 Ca 0.07 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.19 1rqr n GLY 115 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rqr n SER 116 N -1.39 2.17 -4.07 1.61 7.64 -1.26 -4.86 113.62 113.46 1rqr n SER 116 Ca -0.16 -1.58 -0.15 0.00 1.01 0.00 0.00 58.87 57.99 1rqr n SER 116 Cb 0.57 0.36 -0.12 0.00 -1.01 0.00 0.00 64.21 64.00 1rqr n SER 116 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1rqr s TYR 117 N -2.22 0.78 -0.04 1.43 2.02 -1.26 -0.34 117.35 117.72 1rqr s TYR 117 Ca 0.19 -0.39 0.07 0.00 -0.37 0.00 0.00 57.07 56.57 1rqr s TYR 117 Cb 0.17 -0.47 -0.01 0.00 -0.40 0.00 0.00 41.96 41.25 1rqr s TYR 117 CO 0.47 -0.03 -0.25 0.42 -1.57 0.00 0.00 175.55 174.58 1rqr s ILE 118 N -1.05 2.04 -0.07 2.71 1.01 -1.14 -2.06 121.20 122.64 1rqr s ILE 118 Ca -0.05 -1.07 0.02 0.00 0.00 0.00 0.00 60.65 59.55 1rqr s ILE 118 Cb -0.08 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 1rqr s ILE 118 CO 0.01 0.57 -0.12 -0.31 0.00 0.00 0.00 174.94 175.09 1rqr s TYR 119 N -0.31 2.79 -0.06 3.97 2.02 -0.53 -0.21 117.35 125.02 1rqr s TYR 119 Ca 0.01 -0.15 0.01 0.00 -0.37 0.00 0.00 57.07 56.57 1rqr s TYR 119 Cb -0.12 -1.68 0.02 0.00 -0.40 0.00 0.00 41.96 39.77 1rqr s TYR 119 CO 0.02 0.19 -0.09 -1.50 -1.57 0.00 0.00 175.55 172.60 1rqr s ILE 120 N -0.62 0.89 0.17 2.71 2.07 -0.36 -1.15 121.20 124.91 1rqr s ILE 120 Ca 0.09 -0.31 -0.19 0.00 -1.41 0.00 0.00 60.65 58.83 1rqr s ILE 120 Cb -0.11 -0.85 0.04 0.00 0.13 0.00 0.00 42.46 41.67 1rqr s ILE 120 CO 0.01 0.31 0.52 0.00 -1.91 0.00 0.00 174.94 173.87 1rqr s ALA 121 N 0.89 -1.14 0.72 1.50 0.00 -0.58 -1.93 121.76 121.22 1rqr s ALA 121 Ca -0.11 0.04 -0.16 0.00 0.00 0.00 0.00 51.96 51.73 1rqr s ALA 121 Cb -0.15 0.82 0.03 0.00 0.00 0.00 0.00 23.12 23.82 1rqr s ALA 121 CO 0.01 -0.76 1.16 -0.35 0.00 0.00 0.00 175.76 175.82 1rqr n PRO 122 N -0.32 0.61 -1.84 0.00 -0.04 -1.26 -0.64 135.00 131.51 1rqr n PRO 122 Ca -0.14 0.27 -0.40 0.00 -0.04 0.00 0.00 63.50 63.20 1rqr n PRO 122 Cb 0.63 -2.40 -0.01 0.00 -0.04 0.00 0.00 33.50 31.68 1rqr n PRO 122 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1rqr n ASN 123 N -2.27 7.93 -0.03 3.54 5.15 -1.26 -4.45 115.26 123.86 1rqr n ASN 123 Ca 0.14 -2.99 0.02 0.00 -0.60 0.00 0.00 54.58 51.15 1rqr n ASN 123 Cb 0.49 -1.43 0.03 0.00 -0.53 0.00 0.00 39.78 38.35 1rqr n ASN 123 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1rqr n ASN 124 N 2.44 1.83 0.00 1.20 0.23 -1.26 -4.54 115.26 115.16 1rqr n ASN 124 Ca 0.65 -2.14 0.00 0.00 -0.53 0.00 0.00 54.58 52.56 1rqr n ASN 124 Cb 0.25 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 1rqr n ASN 124 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rqr n GLY 125 N -0.64 0.58 0.26 4.83 0.00 -1.22 -4.84 105.19 104.16 1rqr n GLY 125 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 1rqr n GLY 125 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1rqr h LEU 126 N 0.00 0.17 -2.07 0.99 5.85 -1.83 -2.32 115.31 116.10 1rqr h LEU 126 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1rqr h LEU 126 Cb 0.00 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1rqr h LEU 126 CO 0.00 0.18 0.00 0.18 -0.34 0.00 0.00 178.44 178.46 1rqr n LEU 127 N -4.45 3.05 -0.09 2.25 4.77 -1.26 -4.33 117.00 116.95 1rqr n LEU 127 Ca -0.01 -1.53 -0.08 0.00 -0.03 0.00 0.00 56.01 54.36 1rqr n LEU 127 Cb 0.13 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.81 1rqr n LEU 127 CO 0.35 0.67 0.65 0.74 -1.33 0.00 0.00 177.39 178.47 1rqr h THR 128 N 3.01 0.26 -0.07 -5.08 2.02 -1.69 -1.93 112.91 109.44 1rqr h THR 128 Ca 0.00 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 66.99 1rqr h THR 128 Cb 0.84 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1rqr h THR 128 CO 0.06 0.00 -0.77 0.71 0.37 0.00 0.00 175.52 175.89 1rqr h THR 129 N -0.28 1.38 -0.70 3.16 1.35 -1.85 -2.28 112.91 113.70 1rqr h THR 129 Ca 0.15 -2.19 0.15 0.00 -0.55 0.00 0.00 66.41 63.98 1rqr h THR 129 Cb 0.53 2.16 -0.12 0.00 -1.73 0.00 0.00 68.15 68.99 1rqr h THR 129 CO -0.48 0.66 -0.00 0.58 -0.25 0.00 0.00 175.52 176.02 1rqr h VAL 130 N 0.28 0.40 0.03 6.82 2.07 -1.75 0.55 116.25 124.65 1rqr h VAL 130 Ca -0.04 -0.04 -0.22 0.00 0.82 0.00 0.00 66.70 67.23 1rqr h VAL 130 Cb 1.35 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1rqr h VAL 130 CO 0.13 0.02 -0.97 -0.07 0.02 0.00 0.00 177.57 176.70 1rqr h LEU 131 N 0.11 0.28 -0.68 2.57 3.38 -1.19 -1.39 115.31 118.38 1rqr h LEU 131 Ca 0.37 -0.25 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 1rqr h LEU 131 Cb 0.63 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1rqr h LEU 131 CO -0.61 1.09 -0.30 -0.08 0.09 0.00 0.00 178.44 178.63 1rqr h GLU 132 N 0.10 0.70 0.00 1.13 4.81 -0.85 -1.35 114.58 119.11 1rqr h GLU 132 Ca -0.06 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1rqr h GLU 132 Cb 1.63 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.00 1rqr h GLU 132 CO 0.15 0.91 -1.57 0.39 -0.73 0.00 0.00 179.01 178.16 1rqr n GLU 133 N -4.08 0.64 -0.02 1.92 1.02 0.13 -4.57 120.64 115.68 1rqr n GLU 133 Ca -0.01 -0.12 -0.02 0.00 -0.02 0.00 0.00 57.16 56.99 1rqr n GLU 133 Cb 0.47 -1.44 -0.03 0.00 -0.02 0.00 0.00 31.44 30.42 1rqr n GLU 133 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1rqr n HIS 134 N -1.94 0.00 -1.73 -0.32 8.25 -0.53 -4.86 115.22 114.10 1rqr n HIS 134 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1rqr n HIS 134 Cb 0.44 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.36 1rqr n HIS 134 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rqr n GLY 135 N 2.90 -2.32 3.36 -1.41 0.00 -0.51 -1.00 105.19 106.20 1rqr n GLY 135 Ca -0.07 -1.59 -0.15 0.00 0.00 0.00 0.00 46.02 44.21 1rqr n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1rqr s TYR 136 N -0.48 -0.38 -0.14 1.61 -0.85 -1.26 -2.92 117.35 112.93 1rqr s TYR 136 Ca 0.00 0.58 0.18 0.00 -0.52 0.00 0.00 57.07 57.31 1rqr s TYR 136 Cb 0.00 0.24 -0.24 0.00 0.38 0.00 0.00 41.96 42.33 1rqr s TYR 136 CO 0.00 -0.50 0.36 1.28 -1.52 0.00 0.00 175.55 175.16 1rqr n LEU 137 N 1.00 0.25 -3.57 -3.49 4.77 -0.60 -4.75 117.00 110.62 1rqr n LEU 137 Ca -0.20 0.11 -0.13 0.00 -0.03 0.00 0.00 56.01 55.76 1rqr n LEU 137 Cb 0.57 0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 41.88 1rqr n LEU 137 CO 0.22 0.32 0.61 -1.83 -1.33 0.00 0.00 177.39 175.37 1rqr s GLU 138 N -2.80 0.78 0.03 3.23 -1.05 -1.25 -5.02 118.70 112.62 1rqr s GLU 138 Ca -0.08 0.36 0.03 0.00 -0.15 0.00 0.00 54.97 55.13 1rqr s GLU 138 Cb 0.08 0.37 -0.02 0.00 -0.44 0.00 0.00 34.13 34.13 1rqr s GLU 138 CO 0.84 -0.21 -0.09 0.00 0.95 0.00 0.00 175.26 176.76 1rqr s ALA 139 N -0.76 0.69 -0.02 -0.84 0.00 -1.26 -1.83 121.76 117.74 1rqr s ALA 139 Ca -0.04 -0.61 -0.02 0.00 0.00 0.00 0.00 51.96 51.29 1rqr s ALA 139 Cb -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.04 1rqr s ALA 139 CO 0.03 0.09 0.05 0.71 0.00 0.00 0.00 175.76 176.64 1rqr s TYR 140 N -0.84 -0.04 0.31 0.00 2.02 -0.24 -1.91 117.35 116.66 1rqr s TYR 140 Ca -0.03 0.10 -0.28 0.00 -0.37 0.00 0.00 57.07 56.48 1rqr s TYR 140 Cb -0.07 0.00 -0.10 0.00 -0.40 0.00 0.00 41.96 41.40 1rqr s TYR 140 CO 0.00 -0.05 1.16 -2.00 -1.57 0.00 0.00 175.55 173.10 1rqr s GLU 141 N -0.12 4.47 -0.75 -0.62 2.12 -0.91 -1.31 118.70 121.58 1rqr s GLU 141 Ca -0.02 1.91 -0.14 0.00 0.36 0.00 0.00 54.97 57.09 1rqr s GLU 141 Cb -0.01 -3.07 0.19 0.00 0.26 0.00 0.00 34.13 31.51 1rqr s GLU 141 CO 0.00 0.02 0.69 0.08 -0.54 0.00 0.00 175.26 175.51 1rqr s VAL 142 N -1.21 5.48 0.00 3.70 1.01 -0.84 -2.71 120.40 125.83 1rqr s VAL 142 Ca 0.48 -2.21 0.00 0.00 0.00 0.00 0.00 61.98 60.24 1rqr s VAL 142 Cb -0.34 -4.42 0.00 0.00 0.00 0.00 0.00 36.38 31.62 1rqr s VAL 142 CO 0.44 -0.98 0.00 0.35 0.00 0.00 0.00 175.10 174.90 1rqr n THR 143 N 4.31 0.00 -2.18 3.92 -2.24 0.09 -4.31 114.28 113.87 1rqr n THR 143 Ca 0.06 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 1rqr n THR 143 Cb 0.45 0.84 -0.03 0.00 -2.10 0.00 0.00 70.33 69.49 1rqr n THR 143 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1rqr s SER 144 N -0.80 6.83 0.00 3.42 0.15 -0.55 -4.90 113.70 117.86 1rqr s SER 144 Ca 0.00 2.32 0.11 0.00 0.70 0.00 0.00 55.95 59.08 1rqr s SER 144 Cb 0.00 -2.59 0.66 0.00 -1.71 0.00 0.00 66.02 62.38 1rqr s SER 144 CO 0.00 -0.64 1.15 -0.81 1.20 0.00 0.00 173.24 174.14 1rqr n PRO 145 N 3.91 0.31 0.21 5.44 -0.04 -1.26 -1.81 135.00 141.77 1rqr n PRO 145 Ca 0.11 0.04 0.11 0.00 -0.04 0.00 0.00 63.50 63.73 1rqr n PRO 145 Cb 0.42 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.56 1rqr n PRO 145 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1rqr h LYS 146 N 0.00 0.00 0.00 0.54 1.57 -1.96 -3.38 116.57 113.34 1rqr h LYS 146 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rqr h LYS 146 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1rqr h LYS 146 CO 0.00 0.07 -0.47 1.33 -0.57 0.00 0.00 179.45 179.81 1rqr n VAL 147 N -3.12 0.00 -4.46 0.50 0.24 -0.92 -5.05 118.33 105.52 1rqr n VAL 147 Ca 0.04 -0.22 -0.23 0.00 -2.04 0.00 0.00 64.34 61.89 1rqr n VAL 147 Cb 0.54 0.71 -0.10 0.00 -1.47 0.00 0.00 33.84 33.53 1rqr n VAL 147 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1rqr s ILE 148 N -1.37 2.28 0.48 1.34 -4.36 -0.75 -2.67 121.20 116.15 1rqr s ILE 148 Ca 0.00 -2.33 -0.23 0.00 -0.26 0.00 0.00 60.65 57.83 1rqr s ILE 148 Cb 0.00 -2.33 -0.07 0.00 1.25 0.00 0.00 42.46 41.31 1rqr s ILE 148 CO 0.00 -0.39 1.29 -2.84 0.24 0.00 0.00 174.94 173.24 1rqr s PRO 149 N -3.56 3.57 0.24 0.37 0.02 -1.26 -4.41 135.00 129.97 1rqr s PRO 149 Ca 0.29 2.09 -0.04 0.00 0.02 0.00 0.00 61.00 63.37 1rqr s PRO 149 Cb -0.03 -2.46 0.27 0.00 0.02 0.00 0.00 34.50 32.31 1rqr s PRO 149 CO 0.14 -0.80 1.76 0.93 -0.33 0.00 0.00 177.00 178.70 1rqr h GLU 150 N 2.01 0.92 -3.10 5.54 5.08 -1.96 -3.34 114.58 119.72 1rqr h GLU 150 Ca -0.50 -0.23 -0.63 0.00 -1.00 0.00 0.00 59.36 57.00 1rqr h GLU 150 Cb 1.27 -0.12 -0.41 0.00 0.50 0.00 0.00 28.75 29.99 1rqr h GLU 150 CO 0.60 0.86 -0.53 -0.65 -1.00 0.00 0.00 179.01 178.29 1rqr s GLN 151 N -5.14 2.53 0.33 2.33 -0.21 -1.26 -5.10 119.66 113.14 1rqr s GLN 151 Ca -0.10 -3.35 -0.29 0.00 0.02 0.00 0.00 55.36 51.63 1rqr s GLN 151 Cb 0.15 -3.47 -0.11 0.00 1.00 0.00 0.00 33.01 30.58 1rqr s GLN 151 CO 0.82 -1.29 1.56 -2.14 -2.12 0.00 0.00 175.29 172.13 1rqr s PRO 152 N -1.46 4.11 -0.21 2.91 0.02 -1.26 -4.91 135.00 134.20 1rqr s PRO 152 Ca 0.25 2.59 -0.29 0.00 0.02 0.00 0.00 61.00 63.57 1rqr s PRO 152 Cb -0.05 -3.00 -0.04 0.00 0.02 0.00 0.00 34.50 31.43 1rqr s PRO 152 CO -0.16 -0.61 1.98 -2.00 -0.33 0.00 0.00 177.00 175.88 1rqr s GLU 153 N -1.11 3.44 0.28 5.54 2.56 -1.26 -4.89 118.70 123.25 1rqr s GLU 153 Ca 0.59 1.90 0.00 0.00 0.00 0.00 0.00 54.97 57.47 1rqr s GLU 153 Cb -0.48 -4.24 0.65 0.00 2.00 0.00 0.00 34.13 32.06 1rqr s GLU 153 CO 0.54 -1.74 1.65 -1.35 -0.56 0.00 0.00 175.26 173.80 1rqr h PRO 154 N 13.16 0.20 -0.65 4.30 0.11 -1.94 -2.14 132.00 145.03 1rqr h PRO 154 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1rqr h PRO 154 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1rqr h PRO 154 CO 0.98 0.13 0.00 0.25 -0.21 0.00 0.00 178.00 179.15 1rqr n THR 155 N -5.23 1.98 -2.78 -1.15 -2.24 -1.26 -0.19 114.28 103.41 1rqr n THR 155 Ca 0.20 -1.07 -0.02 0.00 -2.27 0.00 0.00 64.05 60.88 1rqr n THR 155 Cb 0.63 -0.19 0.06 0.00 -2.10 0.00 0.00 70.33 68.73 1rqr n THR 155 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1rqr n PHE 156 N 0.64 0.62 0.22 4.78 -0.00 -0.80 -4.92 117.46 118.00 1rqr n PHE 156 Ca 0.22 -2.20 0.14 0.00 -0.00 0.00 0.00 57.45 55.61 1rqr n PHE 156 Cb 0.93 0.07 0.73 0.00 -0.00 0.00 0.00 39.48 41.20 1rqr n PHE 156 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.76 178.64 1rqr h TYR 157 N 2.44 0.00 -0.08 -5.13 -1.99 -1.77 -1.55 116.97 108.88 1rqr h TYR 157 Ca -0.18 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.45 1rqr h TYR 157 Cb 1.26 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.98 1rqr h TYR 157 CO 0.41 0.00 -0.41 0.77 -0.00 0.00 0.00 178.16 178.92 1rqr h SER 158 N 0.00 0.18 0.04 3.88 0.02 -1.91 -3.15 113.55 112.61 1rqr h SER 158 Ca 0.00 -0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 60.76 1rqr h SER 158 Cb 0.04 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 1rqr h SER 158 CO 0.00 0.57 -0.58 -0.09 -1.14 0.00 0.00 176.83 175.59 1rqr h ARG 159 N 0.14 0.09 -0.01 3.45 2.43 -1.70 -2.37 114.38 116.41 1rqr h ARG 159 Ca 0.01 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1rqr h ARG 159 Cb 0.79 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1rqr h ARG 159 CO 0.06 1.08 0.00 0.39 -1.51 0.00 0.00 179.97 179.99 1rqr n GLU 160 N -4.39 0.60 0.00 0.20 -0.58 -0.94 -1.81 120.64 113.73 1rqr n GLU 160 Ca -0.17 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 1rqr n GLU 160 Cb 0.64 -1.01 0.00 0.00 -0.57 0.00 0.00 31.44 30.51 1rqr n GLU 160 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1rqr n VAL 162 N -0.49 0.00 0.24 2.62 0.31 -1.21 -4.40 118.33 115.41 1rqr n VAL 162 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 1rqr n VAL 162 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 1rqr n VAL 162 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rqr h ALA 163 N 0.00 -0.55 0.61 3.52 0.00 -1.25 -1.24 119.26 120.35 1rqr h ALA 163 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1rqr h ALA 163 Cb 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1rqr h ALA 163 CO 0.00 -0.80 -0.51 0.82 0.00 0.00 0.00 179.25 178.76 1rqr h ILE 164 N -0.56 0.00 0.00 0.00 2.04 -1.60 -2.34 117.51 115.05 1rqr h ILE 164 Ca -0.06 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1rqr h ILE 164 Cb 0.43 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1rqr h ILE 164 CO 0.09 0.00 -0.05 -0.65 0.00 0.00 0.00 178.15 177.55 1rqr h PRO 165 N -1.09 0.00 -0.35 2.37 0.11 -1.53 -1.97 132.00 129.55 1rqr h PRO 165 Ca -0.08 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.94 1rqr h PRO 165 Cb 0.91 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 1rqr h PRO 165 CO -0.01 0.05 -0.18 0.66 -0.21 0.00 0.00 178.00 178.31 1rqr h SER 166 N 0.00 0.65 0.22 -2.05 4.64 -0.71 -2.02 113.55 114.28 1rqr h SER 166 Ca -0.00 -0.20 -0.14 0.00 -0.47 0.00 0.00 61.79 60.97 1rqr h SER 166 Cb 0.12 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1rqr h SER 166 CO 0.01 0.83 -0.54 0.00 -0.87 0.00 0.00 176.83 176.25 1rqr h ALA 167 N 1.23 0.85 -0.16 5.18 0.00 -0.93 -1.04 119.26 124.38 1rqr h ALA 167 Ca 0.09 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1rqr h ALA 167 Cb 0.63 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1rqr h ALA 167 CO 0.04 0.69 0.04 0.45 0.00 0.00 0.00 179.25 180.47 1rqr h HIS 168 N 0.27 0.26 -0.99 0.00 3.86 -1.30 -0.46 115.15 116.80 1rqr h HIS 168 Ca 0.01 -0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1rqr h HIS 168 Cb 1.04 -0.07 -0.05 0.00 1.06 0.00 0.00 27.41 29.39 1rqr h HIS 168 CO 0.03 0.39 0.66 -0.07 0.86 0.00 0.00 177.93 179.79 1rqr h LEU 169 N 0.07 1.14 -1.48 2.43 3.38 -1.31 -1.03 115.31 118.50 1rqr h LEU 169 Ca 0.05 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1rqr h LEU 169 Cb 0.25 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1rqr h LEU 169 CO 0.00 0.82 -0.27 0.00 0.09 0.00 0.00 178.44 179.09 1rqr h ALA 170 N 1.38 1.47 -0.05 1.53 0.00 -0.88 -1.89 119.26 120.83 1rqr h ALA 170 Ca 0.36 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1rqr h ALA 170 Cb -0.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1rqr h ALA 170 CO -0.08 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.51 1rqr n ALA 171 N -2.45 2.59 0.00 0.00 0.00 -0.21 -4.75 120.51 115.70 1rqr n ALA 171 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1rqr n ALA 171 Cb 0.33 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1rqr n ALA 171 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rqr n GLY 172 N 0.98 0.52 3.67 0.00 0.00 -0.71 -5.06 105.19 104.59 1rqr n GLY 172 Ca 0.17 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.72 1rqr n GLY 172 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1rqr n PHE 173 N -1.47 2.24 -1.88 1.61 7.35 -0.47 -4.84 117.46 119.99 1rqr n PHE 173 Ca 0.00 0.24 -0.42 0.00 -0.76 0.00 0.00 57.45 56.51 1rqr n PHE 173 Cb 0.00 -2.55 -0.03 0.00 0.35 0.00 0.00 39.48 37.25 1rqr n PHE 173 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 1rqr s PRO 174 N 1.46 4.19 0.23 -7.13 0.02 -1.26 -4.46 135.00 128.05 1rqr s PRO 174 Ca 0.82 2.40 -0.07 0.00 0.02 0.00 0.00 61.00 64.17 1rqr s PRO 174 Cb -0.70 -3.46 0.40 0.00 0.02 0.00 0.00 34.50 30.76 1rqr s PRO 174 CO 0.41 -0.72 1.70 1.25 -0.33 0.00 0.00 177.00 179.31 1rqr h LEU 175 N 8.04 0.07 -1.22 -5.54 5.85 -1.95 -2.22 115.31 118.34 1rqr h LEU 175 Ca -0.43 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1rqr h LEU 175 Cb 1.20 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1rqr h LEU 175 CO 0.93 0.01 0.01 -1.54 -0.34 0.00 0.00 178.44 177.52 1rqr n SER 176 N -5.11 0.48 -1.05 1.25 3.41 -1.26 -2.68 113.62 108.65 1rqr n SER 176 Ca 0.12 0.72 0.09 0.00 -0.26 0.00 0.00 58.87 59.54 1rqr n SER 176 Cb 0.40 -0.77 0.25 0.00 -0.26 0.00 0.00 64.21 63.82 1rqr n SER 176 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1rqr n GLU 177 N -2.14 2.72 0.17 4.33 1.02 -0.83 -4.24 120.64 121.66 1rqr n GLU 177 Ca -0.01 -2.38 0.12 0.00 -0.02 0.00 0.00 57.16 54.87 1rqr n GLU 177 Cb 0.04 -1.45 0.10 0.00 -0.02 0.00 0.00 31.44 30.12 1rqr n GLU 177 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1rqr h VAL 178 N 3.41 0.00 0.00 2.62 -1.51 -1.65 -3.44 116.25 115.69 1rqr h VAL 178 Ca 0.00 -0.98 0.00 0.00 -1.23 0.00 0.00 66.70 64.49 1rqr h VAL 178 Cb 0.88 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.80 1rqr h VAL 178 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1rqr n GLY 179 N 1.14 -2.41 3.74 5.19 0.00 -1.10 -0.73 105.19 111.01 1rqr n GLY 179 Ca 0.02 -1.26 -0.35 0.00 0.00 0.00 0.00 46.02 44.43 1rqr n GLY 179 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1rqr s ARG 180 N -1.94 2.65 0.67 1.61 1.70 -1.26 -4.57 118.95 117.81 1rqr s ARG 180 Ca 0.00 1.81 -0.17 0.00 -0.47 0.00 0.00 55.73 56.89 1rqr s ARG 180 Cb 0.00 -1.89 0.00 0.00 -0.57 0.00 0.00 34.95 32.49 1rqr s ARG 180 CO 0.00 -1.46 1.25 -2.30 -1.08 0.00 0.00 175.30 171.72 1rqr n PRO 181 N -2.04 0.94 -4.77 3.89 -0.02 -1.26 -2.15 135.00 129.59 1rqr n PRO 181 Ca 0.14 0.38 -0.33 0.00 -2.02 0.00 0.00 63.50 61.66 1rqr n PRO 181 Cb 0.50 -2.49 -0.13 0.00 -0.02 0.00 0.00 33.50 31.36 1rqr n PRO 181 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1rqr s LEU 182 N -4.39 2.86 0.65 2.45 1.43 -0.80 -4.78 118.68 116.09 1rqr s LEU 182 Ca 0.81 -0.19 -0.13 0.00 -1.03 0.00 0.00 54.13 53.59 1rqr s LEU 182 Cb -0.37 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 1rqr s LEU 182 CO 0.42 0.29 1.05 -1.61 0.23 0.00 0.00 176.35 176.73 1rqr s GLU 183 N -0.37 3.14 0.26 1.70 2.02 -1.26 -4.67 118.70 119.52 1rqr s GLU 183 Ca 0.04 1.02 -0.01 0.00 0.02 0.00 0.00 54.97 56.04 1rqr s GLU 183 Cb -0.12 -2.02 0.50 0.00 0.10 0.00 0.00 34.13 32.59 1rqr s GLU 183 CO 0.02 -0.94 1.80 0.22 0.02 0.00 0.00 175.26 176.38 1rqr h ASP 184 N -0.27 0.72 1.03 -0.19 3.58 -2.00 -1.67 116.42 117.62 1rqr h ASP 184 Ca -0.45 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.05 1rqr h ASP 184 Cb 1.21 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 42.19 1rqr h ASP 184 CO 0.57 0.37 -0.06 1.12 -2.88 0.00 0.00 179.24 178.36 1rqr h HIS 185 N 0.81 0.00 0.00 0.28 2.07 -2.04 -2.77 115.15 113.50 1rqr h HIS 185 Ca 0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.98 1rqr h HIS 185 Cb 0.51 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.49 1rqr h HIS 185 CO -0.05 0.06 0.00 0.39 -3.07 0.00 0.00 177.93 175.26 1rqr n GLU 186 N -3.18 0.17 -3.03 5.12 1.02 -0.63 -4.66 120.64 115.45 1rqr n GLU 186 Ca 0.01 0.18 -0.41 0.00 -0.02 0.00 0.00 57.16 56.92 1rqr n GLU 186 Cb 0.35 -1.72 -0.05 0.00 -0.02 0.00 0.00 31.44 30.00 1rqr n GLU 186 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1rqr s ILE 187 N -3.09 4.94 0.30 -3.67 1.01 -1.04 -4.99 121.20 114.65 1rqr s ILE 187 Ca 0.11 1.32 -0.29 0.00 0.00 0.00 0.00 60.65 61.79 1rqr s ILE 187 Cb 0.14 -4.01 -0.09 0.00 0.01 0.00 0.00 42.46 38.50 1rqr s ILE 187 CO 0.54 0.02 1.10 -0.69 0.00 0.00 0.00 174.94 175.91 1rqr s VAL 188 N 2.40 3.50 0.15 2.92 1.01 -1.26 -5.02 120.40 124.09 1rqr s VAL 188 Ca 0.30 1.46 0.08 0.00 0.00 0.00 0.00 61.98 63.82 1rqr s VAL 188 Cb -0.16 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1rqr s VAL 188 CO 0.09 0.31 -0.19 -0.13 0.00 0.00 0.00 175.10 175.18 1rqr s ARG 189 N -1.60 1.22 0.24 2.72 1.81 -1.26 -3.41 118.95 118.68 1rqr s ARG 189 Ca 0.46 -1.34 0.06 0.00 -1.72 0.00 0.00 55.73 53.20 1rqr s ARG 189 Cb -0.31 -1.31 -0.03 0.00 -0.45 0.00 0.00 34.95 32.85 1rqr s ARG 189 CO 0.39 0.28 0.30 -0.59 -0.68 0.00 0.00 175.30 175.00 1rqr s PHE 190 N -1.84 3.32 -0.16 -0.53 -0.12 -1.26 -4.87 117.98 112.52 1rqr s PHE 190 Ca 0.13 -0.05 -0.13 0.00 -0.05 0.00 0.00 56.93 56.82 1rqr s PHE 190 Cb -0.07 -1.51 -0.05 0.00 -0.63 0.00 0.00 43.02 40.77 1rqr s PHE 190 CO 0.06 0.47 0.27 0.54 -0.05 0.00 0.00 175.22 176.51 1rqr s ASN 191 N -3.93 6.42 -0.13 1.98 2.20 -1.26 -5.01 114.94 115.21 1rqr s ASN 191 Ca 0.34 0.49 -0.17 0.00 -0.94 0.00 0.00 52.86 52.58 1rqr s ASN 191 Cb -0.09 -2.17 -0.04 0.00 -2.00 0.00 0.00 41.25 36.95 1rqr s ASN 191 CO 0.27 0.13 0.43 0.00 -2.94 0.00 0.00 177.10 174.99 1rqr s ARG 192 N 0.36 4.31 0.36 3.55 1.70 -1.26 -5.05 118.95 122.92 1rqr s ARG 192 Ca 0.16 0.36 -0.29 0.00 -0.47 0.00 0.00 55.73 55.49 1rqr s ARG 192 Cb -0.13 -3.44 -0.11 0.00 -0.57 0.00 0.00 34.95 30.70 1rqr s ARG 192 CO 0.03 0.16 1.53 -2.30 -1.08 0.00 0.00 175.30 173.65 1rqr n PRO 193 N 3.70 2.72 -1.40 3.89 -0.02 -1.26 -4.99 135.00 137.64 1rqr n PRO 193 Ca -0.08 0.96 -0.31 0.00 -2.02 0.00 0.00 63.50 62.05 1rqr n PRO 193 Cb 0.52 -2.71 0.08 0.00 -0.02 0.00 0.00 33.50 31.37 1rqr n PRO 193 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rqr s ALA 194 N -0.82 2.31 -0.31 3.55 0.00 -1.26 -5.00 121.76 120.23 1rqr s ALA 194 Ca 0.56 0.10 -0.28 0.00 0.00 0.00 0.00 51.96 52.34 1rqr s ALA 194 Cb -0.47 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 19.45 1rqr s ALA 194 CO 0.60 -1.65 1.03 0.08 0.00 0.00 0.00 175.76 175.83 1rqr s VAL 195 N -2.99 4.56 1.08 0.00 1.01 -1.26 -4.90 120.40 117.89 1rqr s VAL 195 Ca 0.60 1.68 -0.12 0.00 0.00 0.00 0.00 61.98 64.14 1rqr s VAL 195 Cb -0.16 -4.38 0.24 0.00 0.00 0.00 0.00 36.38 32.08 1rqr s VAL 195 CO 0.56 -0.43 1.06 -0.70 0.00 0.00 0.00 175.10 175.58 1rqr s GLU 196 N 3.54 -0.27 0.04 2.72 2.56 -0.71 -4.87 118.70 121.71 1rqr s GLU 196 Ca 0.44 0.82 0.00 0.00 0.00 0.00 0.00 54.97 56.24 1rqr s GLU 196 Cb -0.13 -1.63 -0.00 0.00 2.00 0.00 0.00 34.13 34.37 1rqr s GLU 196 CO 0.14 -3.28 0.02 1.04 -0.56 0.00 0.00 175.26 172.62 1rqr n GLN 197 N -4.61 0.79 -0.28 4.30 6.02 -1.26 -3.04 117.38 119.30 1rqr n GLN 197 Ca 0.05 -0.35 0.00 0.00 -0.01 0.00 0.00 57.00 56.68 1rqr n GLN 197 Cb 0.55 0.20 -0.00 0.00 1.02 0.00 0.00 30.24 32.01 1rqr n GLN 197 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1rqr n ASP 198 N -2.12 -1.49 0.00 1.08 9.92 -1.15 -4.81 116.55 117.98 1rqr n ASP 198 Ca -0.00 0.33 0.00 0.00 -0.53 0.00 0.00 54.79 54.59 1rqr n ASP 198 Cb 0.06 -0.07 0.00 0.00 -0.64 0.00 0.00 41.12 40.47 1rqr n ASP 198 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1rqr n GLY 199 N -1.70 0.79 4.51 0.44 0.00 -1.26 -3.48 105.19 104.49 1rqr n GLY 199 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1rqr n GLY 199 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rqr n GLU 200 N -2.39 0.00 -1.87 1.61 -0.58 -1.26 -5.01 120.64 111.14 1rqr n GLU 200 Ca 0.00 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.41 1rqr n GLU 200 Cb 0.00 -2.78 0.03 0.00 -0.57 0.00 0.00 31.44 28.12 1rqr n GLU 200 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1rqr s ALA 201 N -0.85 2.56 -0.10 0.62 0.00 -1.23 -4.87 121.76 117.90 1rqr s ALA 201 Ca 0.00 0.53 0.03 0.00 0.00 0.00 0.00 51.96 52.52 1rqr s ALA 201 Cb 0.00 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.83 1rqr s ALA 201 CO 0.00 -1.11 -0.21 -0.51 0.00 0.00 0.00 175.76 173.93 1rqr s LEU 202 N -4.68 1.97 -0.25 0.00 1.43 -0.85 -2.91 118.68 113.39 1rqr s LEU 202 Ca 0.67 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1rqr s LEU 202 Cb -0.20 -1.27 0.02 0.00 0.03 0.00 0.00 46.19 44.77 1rqr s LEU 202 CO 0.39 0.11 -0.05 -0.69 0.23 0.00 0.00 176.35 176.34 1rqr s VAL 203 N 0.53 3.05 0.00 -1.59 1.01 -1.17 -1.90 120.40 120.33 1rqr s VAL 203 Ca -0.15 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 60.94 1rqr s VAL 203 Cb -0.17 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.70 1rqr s VAL 203 CO 0.05 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1rqr n GLY 204 N 4.71 5.52 3.35 4.51 0.00 0.73 -1.74 105.19 122.28 1rqr n GLY 204 Ca -0.17 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 1rqr n GLY 204 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rqr s VAL 205 N 1.69 0.00 -0.58 1.61 -7.23 -1.26 -2.00 120.40 112.62 1rqr s VAL 205 Ca 0.00 -1.79 -0.25 0.00 -1.81 0.00 0.00 61.98 58.12 1rqr s VAL 205 Cb 0.00 -2.43 0.04 0.00 0.56 0.00 0.00 36.38 34.55 1rqr s VAL 205 CO 0.00 0.00 1.05 -0.69 -0.31 0.00 0.00 175.10 175.15 1rqr s VAL 206 N -3.94 4.21 0.36 1.32 1.01 -1.26 -2.44 120.40 119.66 1rqr s VAL 206 Ca 0.34 0.43 0.03 0.00 0.00 0.00 0.00 61.98 62.78 1rqr s VAL 206 Cb 0.04 -4.64 0.24 0.00 0.00 0.00 0.00 36.38 32.01 1rqr s VAL 206 CO 0.14 -1.28 1.99 0.77 0.00 0.00 0.00 175.10 176.71 1rqr h SER 207 N 9.46 0.63 -4.66 3.32 4.64 -1.10 -1.82 113.55 124.03 1rqr h SER 207 Ca -0.26 -0.04 0.21 0.00 -0.47 0.00 0.00 61.79 61.23 1rqr h SER 207 Cb 1.07 -0.16 -0.16 0.00 -0.31 0.00 0.00 62.40 62.84 1rqr h SER 207 CO 1.14 0.51 0.68 0.00 -0.87 0.00 0.00 176.83 178.29 1rqr s ALA 208 N -5.51 -1.97 -0.27 5.18 0.00 -1.14 -4.81 121.76 113.24 1rqr s ALA 208 Ca -0.09 1.17 -0.10 0.00 0.00 0.00 0.00 51.96 52.94 1rqr s ALA 208 Cb 0.17 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.43 1rqr s ALA 208 CO 0.76 -0.72 0.15 0.42 0.00 0.00 0.00 175.76 176.37 1rqr s ILE 209 N -2.73 5.01 -1.00 0.00 -1.09 -1.26 -1.12 121.20 119.01 1rqr s ILE 209 Ca 0.09 0.07 -0.23 0.00 -2.23 0.00 0.00 60.65 58.34 1rqr s ILE 209 Cb -0.00 -3.37 0.02 0.00 -1.58 0.00 0.00 42.46 37.52 1rqr s ILE 209 CO -0.05 0.28 1.62 -0.62 -1.23 0.00 0.00 174.94 174.93 1rqr s ASP 210 N 1.71 6.09 0.40 3.58 2.15 -0.26 -4.93 116.67 125.42 1rqr s ASP 210 Ca 0.07 -1.28 -0.23 0.00 0.43 0.00 0.00 52.55 51.54 1rqr s ASP 210 Cb -0.16 -2.57 -0.09 0.00 -0.30 0.00 0.00 42.92 39.80 1rqr s ASP 210 CO 0.09 -1.89 1.01 -1.00 -0.17 0.00 0.00 175.17 173.21 1rqr s HIS 211 N 6.56 3.31 -0.82 -5.34 3.76 -1.26 -1.62 115.29 119.88 1rqr s HIS 211 Ca 0.54 1.65 0.10 0.00 -0.15 0.00 0.00 55.06 57.20 1rqr s HIS 211 Cb -0.02 -3.03 0.50 0.00 1.11 0.00 0.00 32.58 31.15 1rqr s HIS 211 CO -0.06 -0.40 1.30 -0.35 -0.85 0.00 0.00 174.74 174.38 1rqr n PRO 212 N -0.20 3.20 0.04 8.40 -0.04 -1.26 -4.90 135.00 140.24 1rqr n PRO 212 Ca 0.05 -1.94 -0.04 0.00 -0.04 0.00 0.00 63.50 61.53 1rqr n PRO 212 Cb 0.51 -1.86 -0.09 0.00 -0.04 0.00 0.00 33.50 32.01 1rqr n PRO 212 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1rqr h PHE 213 N 2.58 0.00 0.00 0.54 0.04 -1.76 -3.48 116.94 114.86 1rqr h PHE 213 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1rqr h PHE 213 Cb 1.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.43 1rqr h PHE 213 CO 0.62 0.81 0.00 0.41 -0.60 0.00 0.00 178.31 179.55 1rqr n GLY 214 N 1.41 0.54 3.80 -1.45 0.00 -0.64 -4.09 105.19 104.77 1rqr n GLY 214 Ca -0.07 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 1rqr n GLY 214 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rqr s ASN 215 N -2.86 5.13 -0.19 1.61 0.01 -1.18 -1.32 114.94 116.14 1rqr s ASN 215 Ca 0.00 1.68 -0.01 0.00 -0.71 0.00 0.00 52.86 53.82 1rqr s ASN 215 Cb 0.00 -2.50 0.00 0.00 0.41 0.00 0.00 41.25 39.16 1rqr s ASN 215 CO 0.00 -1.61 -0.13 -0.69 -1.51 0.00 0.00 177.10 173.16 1rqr s VAL 216 N -2.99 2.72 -0.12 1.60 1.01 0.05 -1.10 120.40 121.56 1rqr s VAL 216 Ca 0.59 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 1rqr s VAL 216 Cb -0.15 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 1rqr s VAL 216 CO 0.55 0.49 -0.01 0.26 0.00 0.00 0.00 175.10 176.39 1rqr s TRP 217 N 1.23 3.12 0.40 5.22 0.52 -0.27 -1.32 118.94 127.84 1rqr s TRP 217 Ca 0.03 0.02 0.08 0.00 0.02 0.00 0.00 56.10 56.24 1rqr s TRP 217 Cb -0.14 -1.88 -0.03 0.00 -1.15 0.00 0.00 33.47 30.28 1rqr s TRP 217 CO -0.06 0.26 0.34 0.95 0.02 0.00 0.00 176.95 178.46 1rqr s THR 218 N -0.32 2.76 -0.30 2.01 -4.23 -0.68 -0.59 115.64 114.29 1rqr s THR 218 Ca 0.06 -1.39 0.12 0.00 -1.18 0.00 0.00 61.69 59.30 1rqr s THR 218 Cb -0.12 -3.02 0.77 0.00 1.34 0.00 0.00 72.50 71.46 1rqr s THR 218 CO 0.02 -0.03 1.72 -0.46 -0.54 0.00 0.00 174.62 175.33 1rqr n ASN 219 N -1.48 5.34 -4.37 3.99 6.94 -1.02 -4.54 115.26 120.12 1rqr n ASN 219 Ca 0.02 -2.96 -0.45 0.00 -0.02 0.00 0.00 54.58 51.17 1rqr n ASN 219 Cb 0.62 -0.70 -0.05 0.00 -2.36 0.00 0.00 39.78 37.29 1rqr n ASN 219 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1rqr s ILE 220 N -2.74 5.01 0.91 1.53 1.01 -1.26 -4.81 121.20 120.85 1rqr s ILE 220 Ca 0.52 -1.08 -0.12 0.00 0.00 0.00 0.00 60.65 59.97 1rqr s ILE 220 Cb 0.41 -4.36 0.14 0.00 0.01 0.00 0.00 42.46 38.65 1rqr s ILE 220 CO 0.15 -0.92 1.12 -2.28 0.00 0.00 0.00 174.94 173.01 1rqr s HIS 221 N 2.20 2.48 0.28 3.97 2.46 -1.26 -0.99 115.29 124.42 1rqr s HIS 221 Ca 0.08 0.94 -0.04 0.00 0.47 0.00 0.00 55.06 56.52 1rqr s HIS 221 Cb -0.25 -3.31 0.37 0.00 -0.13 0.00 0.00 32.58 29.25 1rqr s HIS 221 CO 0.06 -2.37 1.94 -0.09 -2.47 0.00 0.00 174.74 171.81 1rqr h ARG 222 N -1.51 1.16 -0.35 2.88 2.43 -1.37 -2.43 114.38 115.19 1rqr h ARG 222 Ca -0.51 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 58.57 1rqr h ARG 222 Cb 1.32 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 1rqr h ARG 222 CO 0.60 0.79 0.18 1.79 -1.51 0.00 0.00 179.97 181.82 1rqr h THR 223 N 1.18 1.12 -0.39 0.20 1.35 -1.85 0.49 112.91 115.02 1rqr h THR 223 Ca 0.31 -0.32 -0.13 0.00 -0.55 0.00 0.00 66.41 65.72 1rqr h THR 223 Cb -0.09 0.66 -0.01 0.00 -1.73 0.00 0.00 68.15 66.98 1rqr h THR 223 CO -0.06 0.13 -0.28 0.44 -0.25 0.00 0.00 175.52 175.50 1rqr h ASP 224 N 0.48 0.92 0.63 5.36 3.32 -1.81 -3.32 116.42 121.99 1rqr h ASP 224 Ca 0.12 -0.44 -0.03 0.00 0.02 0.00 0.00 57.03 56.71 1rqr h ASP 224 Cb 0.04 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.34 1rqr h ASP 224 CO -0.02 1.16 -0.30 -0.07 -1.72 0.00 0.00 179.24 178.29 1rqr h LEU 225 N 0.68 -0.71 -9.30 1.55 3.38 -0.88 -3.26 115.31 106.77 1rqr h LEU 225 Ca 0.07 -0.02 -0.64 0.00 0.09 0.00 0.00 57.88 57.39 1rqr h LEU 225 Cb 0.86 0.18 0.10 0.00 0.09 0.00 0.00 40.66 41.90 1rqr h LEU 225 CO 0.08 -0.40 -0.04 -0.62 0.09 0.00 0.00 178.44 177.54 1rqr n GLU 226 N -5.39 0.90 -1.01 1.13 1.02 0.06 -1.24 120.64 116.10 1rqr n GLU 226 Ca -0.12 0.32 -0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1rqr n GLU 226 Cb 0.36 -1.60 -0.00 0.00 -0.02 0.00 0.00 31.44 30.17 1rqr n GLU 226 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1rqr n LYS 227 N 0.99 -0.37 0.00 3.49 4.76 -1.26 -4.61 118.16 121.16 1rqr n LYS 227 Ca 0.13 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 1rqr n LYS 227 Cb 0.28 -3.42 0.00 0.00 -1.84 0.00 0.00 35.03 30.05 1rqr n LYS 227 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1rqr n ALA 228 N 1.00 2.16 -0.79 7.82 0.00 -0.37 -5.02 120.51 125.31 1rqr n ALA 228 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1rqr n ALA 228 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 1rqr n ALA 228 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rqr n GLY 229 N 0.25 0.57 3.67 0.00 0.00 -0.97 -5.03 105.19 103.69 1rqr n GLY 229 Ca 0.00 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 1rqr n GLY 229 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rqr s ILE 230 N -2.00 4.75 0.00 -0.61 1.01 -0.69 -4.96 121.20 118.70 1rqr s ILE 230 Ca 0.00 2.01 0.00 0.00 0.00 0.00 0.00 60.65 62.66 1rqr s ILE 230 Cb 0.00 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.17 1rqr s ILE 230 CO 0.00 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.48 1rqr n GLY 231 N 3.21 4.31 0.00 6.18 0.00 -1.26 -3.90 105.19 113.73 1rqr n GLY 231 Ca 0.10 -1.62 0.08 0.00 0.00 0.00 0.00 46.02 44.58 1rqr n GLY 231 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1rqr n TYR 232 N 0.00 0.00 0.60 1.61 4.01 -1.26 -1.95 117.16 120.17 1rqr n TYR 232 Ca 0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.83 1rqr n TYR 232 Cb 0.00 -0.38 -0.11 0.00 -0.31 0.00 0.00 39.34 38.53 1rqr n TYR 232 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rqr n GLY 233 N 0.06 -0.74 3.69 2.72 0.00 -1.26 -4.31 105.19 105.35 1rqr n GLY 233 Ca 0.06 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 1rqr n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rqr n ALA 234 N -1.64 2.03 -2.15 4.61 0.00 -0.82 -4.59 120.51 117.95 1rqr n ALA 234 Ca 0.01 0.33 -0.41 0.00 0.00 0.00 0.00 53.44 53.37 1rqr n ALA 234 Cb 0.34 -2.56 -0.03 0.00 0.00 0.00 0.00 19.45 17.20 1rqr n ALA 234 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1rqr s ARG 235 N 2.63 3.04 0.26 0.00 0.52 -1.26 -1.36 118.95 122.78 1rqr s ARG 235 Ca 0.82 0.76 0.01 0.00 -0.52 0.00 0.00 55.73 56.80 1rqr s ARG 235 Cb -0.52 -4.25 -0.04 0.00 0.52 0.00 0.00 34.95 30.67 1rqr s ARG 235 CO 0.38 -2.23 0.45 -0.51 0.02 0.00 0.00 175.30 173.41 1rqr s LEU 236 N 7.47 4.16 -0.20 2.53 1.43 -0.53 -4.60 118.68 128.94 1rqr s LEU 236 Ca 0.65 0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 54.12 1rqr s LEU 236 Cb -0.14 -3.17 0.05 0.00 0.03 0.00 0.00 46.19 42.95 1rqr s LEU 236 CO 0.25 -0.14 -0.05 -0.60 0.23 0.00 0.00 176.35 176.04 1rqr s ARG 237 N -3.82 1.53 -0.28 1.70 3.52 -0.88 -2.56 118.95 118.17 1rqr s ARG 237 Ca 0.38 -0.73 -0.03 0.00 -0.13 0.00 0.00 55.73 55.22 1rqr s ARG 237 Cb -0.10 -2.29 0.03 0.00 -1.56 0.00 0.00 34.95 31.03 1rqr s ARG 237 CO 0.32 -0.51 -0.00 -1.17 -0.81 0.00 0.00 175.30 173.13 1rqr s LEU 238 N 1.53 3.59 -0.21 -0.88 2.96 -0.65 -1.74 118.68 123.28 1rqr s LEU 238 Ca -0.02 -0.94 -0.12 0.00 -0.22 0.00 0.00 54.13 52.83 1rqr s LEU 238 Cb -0.17 -1.74 -0.05 0.00 0.50 0.00 0.00 46.19 44.73 1rqr s LEU 238 CO -0.07 -0.19 0.21 -0.89 -1.32 0.00 0.00 176.35 174.09 1rqr s THR 239 N 1.36 5.34 -0.06 3.68 2.01 -0.38 -1.04 115.64 126.54 1rqr s THR 239 Ca -0.01 0.33 0.01 0.00 0.31 0.00 0.00 61.69 62.33 1rqr s THR 239 Cb -0.18 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 1rqr s THR 239 CO -0.01 0.37 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.46 1rqr s LEU 240 N 0.78 3.21 -1.87 4.42 1.43 -0.89 -1.72 118.68 124.03 1rqr s LEU 240 Ca 0.11 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1rqr s LEU 240 Cb -0.13 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.37 1rqr s LEU 240 CO 0.03 0.36 0.00 -0.67 0.23 0.00 0.00 176.35 176.29 1rqr n ASP 241 N 2.13 -5.59 0.00 2.29 2.03 -0.99 -2.19 116.55 114.23 1rqr n ASP 241 Ca -0.18 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1rqr n ASP 241 Cb 0.53 -4.70 0.00 0.00 -0.72 0.00 0.00 41.12 36.23 1rqr n ASP 241 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rqr n GLY 242 N -0.82 1.68 0.00 0.27 0.00 -1.26 -4.70 105.19 100.35 1rqr n GLY 242 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1rqr n GLY 242 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1rqr n VAL 243 N -1.92 0.00 -3.58 1.61 0.24 -1.12 -4.95 118.33 108.62 1rqr n VAL 243 Ca 0.00 -0.25 -0.33 0.00 -2.04 0.00 0.00 64.34 61.71 1rqr n VAL 243 Cb 0.00 1.06 -0.07 0.00 -1.47 0.00 0.00 33.84 33.36 1rqr n VAL 243 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1rqr n LEU 244 N -0.44 4.14 -4.58 1.34 4.77 -0.93 -4.98 117.00 116.32 1rqr n LEU 244 Ca 0.00 -5.22 -0.36 0.00 -0.03 0.00 0.00 56.01 50.40 1rqr n LEU 244 Cb 0.02 -0.97 -0.03 0.00 -2.33 0.00 0.00 43.42 40.11 1rqr n LEU 244 CO 0.00 1.72 1.75 -2.16 -1.33 0.00 0.00 177.39 177.37 1rqr s PRO 245 N -1.79 3.27 0.52 3.23 0.04 -1.26 -2.10 135.00 136.91 1rqr s PRO 245 Ca 0.30 -1.61 -0.22 0.00 0.04 0.00 0.00 61.00 59.51 1rqr s PRO 245 Cb -0.01 -5.40 -0.06 0.00 0.04 0.00 0.00 34.50 29.08 1rqr s PRO 245 CO -0.09 -3.10 1.33 -0.06 0.04 0.00 0.00 177.00 175.12 1rqr s PHE 246 N 7.51 2.41 -0.07 0.56 0.08 -0.21 -4.82 117.98 123.44 1rqr s PHE 246 Ca 0.61 1.39 -0.01 0.00 0.12 0.00 0.00 56.93 59.04 1rqr s PHE 246 Cb 0.02 -3.74 0.03 0.00 -0.57 0.00 0.00 43.02 38.76 1rqr s PHE 246 CO 0.11 -2.65 0.01 -1.21 -0.10 0.00 0.00 175.22 171.37 1rqr s GLU 247 N -2.82 0.54 0.07 0.44 2.02 -1.26 -1.64 118.70 116.05 1rqr s GLU 247 Ca 0.69 0.13 -0.26 0.00 0.02 0.00 0.00 54.97 55.55 1rqr s GLU 247 Cb -0.39 -0.93 0.08 0.00 0.10 0.00 0.00 34.13 32.99 1rqr s GLU 247 CO 0.46 -0.31 0.69 0.00 0.02 0.00 0.00 175.26 176.12 1rqr s ALA 248 N 1.99 -1.69 0.62 5.21 0.00 -1.06 -5.02 121.76 121.81 1rqr s ALA 248 Ca 0.05 0.81 -0.16 0.00 0.00 0.00 0.00 51.96 52.66 1rqr s ALA 248 Cb -0.12 0.54 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 1rqr s ALA 248 CO -0.05 -0.65 1.10 -1.25 0.00 0.00 0.00 175.76 174.91 1rqr s PRO 249 N -2.96 3.07 -0.17 0.00 0.04 -1.26 -1.46 135.00 132.26 1rqr s PRO 249 Ca -0.01 1.38 -0.29 0.00 0.04 0.00 0.00 61.00 62.11 1rqr s PRO 249 Cb -0.01 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 1rqr s PRO 249 CO -0.07 -1.04 1.22 -1.17 0.04 0.00 0.00 177.00 175.99 1rqr s LEU 250 N -4.54 4.18 0.21 -3.56 2.96 -0.47 -4.11 118.68 113.35 1rqr s LEU 250 Ca 0.67 1.65 0.11 0.00 -0.22 0.00 0.00 54.13 56.34 1rqr s LEU 250 Cb -0.20 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 1rqr s LEU 250 CO 0.37 -0.73 -0.21 0.42 -1.32 0.00 0.00 176.35 174.88 1rqr s THR 251 N 3.33 2.25 0.29 3.68 -4.23 0.40 -4.00 115.64 117.36 1rqr s THR 251 Ca 0.53 -2.12 0.02 0.00 -1.18 0.00 0.00 61.69 58.94 1rqr s THR 251 Cb -0.21 -2.11 0.29 0.00 1.34 0.00 0.00 72.50 71.81 1rqr s THR 251 CO 0.14 -0.25 1.83 -0.65 -0.54 0.00 0.00 174.62 175.15 1rqr h PRO 252 N 2.93 0.92 0.00 3.99 0.11 -1.87 -3.36 132.00 134.72 1rqr h PRO 252 Ca -0.43 -0.06 -0.21 0.00 0.11 0.00 0.00 66.00 65.41 1rqr h PRO 252 Cb 1.22 -0.21 -0.05 0.00 0.11 0.00 0.00 31.00 32.08 1rqr h PRO 252 CO 0.52 0.61 -0.10 -2.37 -0.21 0.00 0.00 178.00 176.46 1rqr n THR 253 N -4.63 0.00 -0.05 -1.15 5.66 -1.26 -4.59 114.28 108.27 1rqr n THR 253 Ca 0.19 -1.36 -0.13 0.00 -3.05 0.00 0.00 64.05 59.70 1rqr n THR 253 Cb 0.39 0.86 -0.08 0.00 -1.55 0.00 0.00 70.33 69.94 1rqr n THR 253 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 175.07 171.76 1rqr h PHE 254 N 1.79 0.37 0.00 1.09 0.04 -1.96 -3.16 116.94 115.12 1rqr h PHE 254 Ca -0.22 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.44 1rqr h PHE 254 Cb 0.93 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.01 1rqr h PHE 254 CO 0.00 0.74 0.00 0.00 -0.60 0.00 0.00 178.31 178.45 1rqr n ALA 255 N -2.42 1.21 0.48 2.45 0.00 -1.26 -2.26 120.51 118.70 1rqr n ALA 255 Ca -0.07 0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.50 1rqr n ALA 255 Cb 0.37 -1.15 0.36 0.00 0.00 0.00 0.00 19.45 19.03 1rqr n ALA 255 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1rqr n ASP 256 N -1.72 0.19 -0.02 0.00 8.00 -1.20 -2.53 116.55 119.27 1rqr n ASP 256 Ca 0.01 0.55 0.15 0.00 0.71 0.00 0.00 54.79 56.20 1rqr n ASP 256 Cb 0.06 -0.59 0.78 0.00 -0.02 0.00 0.00 41.12 41.35 1rqr n ASP 256 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rqr n ALA 257 N -1.58 2.58 0.00 2.24 0.00 -0.96 -5.02 120.51 117.77 1rqr n ALA 257 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1rqr n ALA 257 Cb 0.19 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1rqr n ALA 257 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rqr n GLY 258 N 1.22 1.61 3.71 0.00 0.00 -1.05 -4.77 105.19 105.91 1rqr n GLY 258 Ca 0.17 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 1rqr n GLY 258 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rqr s GLU 259 N 0.00 1.95 0.30 1.61 2.02 -1.26 -4.93 118.70 118.39 1rqr s GLU 259 Ca 0.00 1.82 -0.30 0.00 0.02 0.00 0.00 54.97 56.51 1rqr s GLU 259 Cb 0.00 -1.80 -0.11 0.00 0.10 0.00 0.00 34.13 32.31 1rqr s GLU 259 CO 0.00 -2.00 1.61 0.42 0.02 0.00 0.00 175.26 175.31 1rqr s ILE 260 N -1.95 2.01 0.00 -1.63 1.01 -1.26 -2.59 121.20 116.78 1rqr s ILE 260 Ca 0.75 0.01 0.00 0.00 0.00 0.00 0.00 60.65 61.41 1rqr s ILE 260 Cb -0.31 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.16 1rqr s ILE 260 CO 0.47 0.00 0.00 0.61 0.00 0.00 0.00 174.94 176.02 1rqr n GLY 261 N 2.10 2.70 3.71 6.18 0.00 0.29 -4.97 105.19 115.20 1rqr n GLY 261 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1rqr n GLY 261 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rqr s ASN 262 N -1.24 3.34 0.04 1.61 0.01 -1.07 -4.59 114.94 113.03 1rqr s ASN 262 Ca 0.00 1.48 -0.22 0.00 -0.71 0.00 0.00 52.86 53.40 1rqr s ASN 262 Cb 0.00 -2.15 -0.06 0.00 0.41 0.00 0.00 41.25 39.45 1rqr s ASN 262 CO 0.00 -2.72 0.67 -0.63 -1.51 0.00 0.00 177.10 172.91 1rqr s ILE 263 N -2.92 4.76 -0.14 0.60 -1.09 -1.26 -1.66 121.20 119.50 1rqr s ILE 263 Ca 0.64 1.43 0.00 0.00 -2.23 0.00 0.00 60.65 60.49 1rqr s ILE 263 Cb -0.18 -4.01 0.02 0.00 -1.58 0.00 0.00 42.46 36.71 1rqr s ILE 263 CO 0.57 0.43 -0.13 0.00 -1.23 0.00 0.00 174.94 174.58 1rqr s ALA 264 N -0.36 1.71 -0.24 9.38 0.00 -0.50 -4.66 121.76 127.09 1rqr s ALA 264 Ca 0.34 -0.80 -0.16 0.00 0.00 0.00 0.00 51.96 51.33 1rqr s ALA 264 Cb -0.20 -1.01 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 1rqr s ALA 264 CO 0.20 -0.37 0.43 0.42 0.00 0.00 0.00 175.76 176.44 1rqr s ILE 265 N 1.51 5.15 0.19 0.00 1.01 -1.26 -1.91 121.20 125.89 1rqr s ILE 265 Ca 0.04 0.72 -0.06 0.00 0.00 0.00 0.00 60.65 61.35 1rqr s ILE 265 Cb -0.13 -3.75 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 1rqr s ILE 265 CO -0.10 0.16 0.26 -0.72 0.00 0.00 0.00 174.94 174.55 1rqr s TYR 266 N 1.91 0.69 -0.30 3.97 -0.85 -0.66 -0.45 117.35 121.65 1rqr s TYR 266 Ca 0.18 -1.01 -0.16 0.00 -0.52 0.00 0.00 57.07 55.57 1rqr s TYR 266 Cb -0.15 -0.20 -0.02 0.00 0.38 0.00 0.00 41.96 41.96 1rqr s TYR 266 CO 0.09 -0.74 0.43 -0.51 -1.52 0.00 0.00 175.55 173.29 1rqr s LEU 267 N -3.05 4.18 1.29 -3.49 1.43 -1.26 -0.86 118.68 116.93 1rqr s LEU 267 Ca 0.26 0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 53.33 1rqr s LEU 267 Cb 0.04 -2.48 0.32 0.00 0.03 0.00 0.00 46.19 44.09 1rqr s LEU 267 CO 0.06 -0.30 1.01 0.54 0.23 0.00 0.00 176.35 177.90 1rqr s ASN 268 N 1.67 0.09 0.00 2.29 2.20 0.30 -4.84 114.94 116.66 1rqr s ASN 268 Ca 0.16 0.89 0.23 0.00 -0.94 0.00 0.00 52.86 53.20 1rqr s ASN 268 Cb -0.16 -1.30 1.36 0.00 -2.00 0.00 0.00 41.25 39.15 1rqr s ASN 268 CO 0.11 -4.66 1.74 -1.54 -2.94 0.00 0.00 177.10 169.80 1rqr n SER 269 N -5.16 0.00 -0.31 3.54 3.41 -1.26 -1.82 113.62 112.01 1rqr n SER 269 Ca 0.11 -0.75 0.03 0.00 -0.26 0.00 0.00 58.87 58.00 1rqr n SER 269 Cb 0.59 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.60 1rqr n SER 269 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1rqr n ARG 270 N -0.99 1.54 -0.19 4.33 5.12 -1.26 -3.82 116.66 121.39 1rqr n ARG 270 Ca 0.17 -1.39 0.00 0.00 -1.93 0.00 0.00 57.85 54.71 1rqr n ARG 270 Cb 0.08 -1.14 0.00 0.00 -1.16 0.00 0.00 32.46 30.24 1rqr n ARG 270 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rqr n GLY 271 N 0.20 0.89 3.51 -0.13 0.00 -0.76 -4.48 105.19 104.42 1rqr n GLY 271 Ca 0.05 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 1rqr n GLY 271 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rqr s TYR 272 N -2.00 2.71 0.24 1.61 2.02 -1.26 -0.86 117.35 119.82 1rqr s TYR 272 Ca 0.00 -0.15 -0.31 0.00 -0.37 0.00 0.00 57.07 56.24 1rqr s TYR 272 Cb 0.00 -1.56 -0.11 0.00 -0.40 0.00 0.00 41.96 39.89 1rqr s TYR 272 CO 0.00 0.27 1.61 -1.17 -1.57 0.00 0.00 175.55 174.69 1rqr s LEU 273 N -1.21 4.36 0.14 -1.29 2.96 -0.16 -0.53 118.68 122.94 1rqr s LEU 273 Ca 0.14 2.84 -0.08 0.00 -0.22 0.00 0.00 54.13 56.81 1rqr s LEU 273 Cb -0.11 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 1rqr s LEU 273 CO 0.05 -0.89 0.23 -0.44 -1.32 0.00 0.00 176.35 173.98 1rqr s SER 274 N 0.77 0.09 0.02 3.68 0.01 -0.03 -1.69 113.70 116.54 1rqr s SER 274 Ca 0.67 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 57.10 1rqr s SER 274 Cb -0.47 0.39 -0.02 0.00 0.21 0.00 0.00 66.02 66.14 1rqr s SER 274 CO 0.40 -0.83 -0.03 -0.51 0.41 0.00 0.00 173.24 172.69 1rqr s ILE 275 N -3.94 0.15 0.09 1.44 2.07 -0.44 -1.66 121.20 118.91 1rqr s ILE 275 Ca 0.14 -0.77 -0.08 0.00 -1.41 0.00 0.00 60.65 58.53 1rqr s ILE 275 Cb 0.04 -0.26 0.03 0.00 0.13 0.00 0.00 42.46 42.40 1rqr s ILE 275 CO -0.03 -0.40 0.37 0.00 -1.91 0.00 0.00 174.94 172.97 1rqr n ALA 276 N 1.85 -0.93 -2.48 1.50 0.00 -0.80 -0.77 120.51 118.87 1rqr n ALA 276 Ca -0.22 -0.42 -0.29 0.00 0.00 0.00 0.00 53.44 52.51 1rqr n ALA 276 Cb 0.56 0.27 -0.11 0.00 0.00 0.00 0.00 19.45 20.16 1rqr n ALA 276 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1rqr s ARG 277 N -2.02 1.72 -0.37 0.00 0.52 -1.24 -1.41 118.95 116.15 1rqr s ARG 277 Ca 0.08 -1.26 -0.28 0.00 -0.52 0.00 0.00 55.73 53.75 1rqr s ARG 277 Cb -0.01 -2.05 -0.02 0.00 0.52 0.00 0.00 34.95 33.38 1rqr s ARG 277 CO 0.03 0.46 1.81 1.21 0.02 0.00 0.00 175.30 178.83 1rqr s ASN 278 N -2.27 5.80 -1.53 0.23 2.47 -0.66 -3.33 114.94 115.64 1rqr s ASN 278 Ca 0.18 1.17 -0.12 0.00 0.42 0.00 0.00 52.86 54.51 1rqr s ASN 278 Cb -0.10 -2.53 0.08 0.00 -1.45 0.00 0.00 41.25 37.26 1rqr s ASN 278 CO 0.10 -1.81 0.84 0.00 -3.72 0.00 0.00 177.10 172.51 1rqr n ALA 279 N 10.66 -1.45 -3.46 1.71 0.00 -1.26 -0.55 120.51 126.16 1rqr n ALA 279 Ca 0.23 0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.60 1rqr n ALA 279 Cb 0.48 -3.59 -0.02 0.00 0.00 0.00 0.00 19.45 16.31 1rqr n ALA 279 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rqr s ALA 280 N -3.42 -1.48 -0.09 0.00 0.00 -1.21 -4.65 121.76 110.90 1rqr s ALA 280 Ca 0.53 0.31 -0.25 0.00 0.00 0.00 0.00 51.96 52.55 1rqr s ALA 280 Cb -0.27 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 1rqr s ALA 280 CO 0.86 -0.81 0.79 0.45 0.00 0.00 0.00 175.76 177.05 1rqr s SER 281 N -2.78 7.03 -0.15 0.00 0.15 -1.26 -3.72 113.70 112.97 1rqr s SER 281 Ca 0.03 1.26 -0.19 0.00 0.70 0.00 0.00 55.95 57.75 1rqr s SER 281 Cb -0.02 -2.45 -0.16 0.00 -1.71 0.00 0.00 66.02 61.68 1rqr s SER 281 CO -0.09 -0.23 0.37 0.25 1.20 0.00 0.00 173.24 174.73 1rqr h LEU 282 N 7.30 0.00 -0.61 3.45 5.85 -1.75 -3.42 115.31 126.14 1rqr h LEU 282 Ca -0.37 -0.56 -0.14 0.00 0.84 0.00 0.00 57.88 57.65 1rqr h LEU 282 Cb 1.18 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 1rqr h LEU 282 CO 0.78 0.98 -0.66 0.00 -0.34 0.00 0.00 178.44 179.19 1rqr h ALA 283 N -0.44 0.84 0.08 1.25 0.00 -1.52 -3.35 119.26 116.12 1rqr h ALA 283 Ca -0.08 -0.60 -0.16 0.00 0.00 0.00 0.00 54.91 54.07 1rqr h ALA 283 Cb 0.80 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.50 1rqr h ALA 283 CO -0.05 0.83 -0.67 1.88 0.00 0.00 0.00 179.25 181.24 1rqr h TYR 284 N 0.00 0.51 -0.79 0.00 0.05 -1.81 -0.34 116.97 114.59 1rqr h TYR 284 Ca -0.01 -0.34 0.02 0.00 0.05 0.00 0.00 58.73 58.46 1rqr h TYR 284 Cb 1.22 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 38.88 1rqr h TYR 284 CO 0.00 1.22 0.52 -1.35 -1.05 0.00 0.00 178.16 177.51 1rqr h PRO 285 N -0.34 0.99 -0.60 4.88 0.11 -1.81 -3.12 132.00 132.10 1rqr h PRO 285 Ca -0.11 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1rqr h PRO 285 Cb 1.47 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1rqr h PRO 285 CO 0.13 0.65 0.00 0.66 -0.21 0.00 0.00 178.00 179.23 1rqr n TYR 286 N -4.44 0.87 -4.16 0.65 4.01 -1.23 -4.97 117.16 107.90 1rqr n TYR 286 Ca 0.10 -0.52 -0.31 0.00 -0.16 0.00 0.00 57.90 57.01 1rqr n TYR 286 Cb 0.08 -0.04 -0.04 0.00 -0.31 0.00 0.00 39.34 39.03 1rqr n TYR 286 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1rqr n HIS 287 N 1.23 -1.56 -1.97 -0.72 8.25 -0.28 -4.95 115.22 115.22 1rqr n HIS 287 Ca 0.21 0.73 -0.35 0.00 -0.26 0.00 0.00 57.72 58.05 1rqr n HIS 287 Cb 0.59 -3.15 0.03 0.00 1.12 0.00 0.00 29.99 28.59 1rqr n HIS 287 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1rqr s LEU 288 N -7.17 3.60 -0.01 2.41 1.43 -0.37 -5.04 118.68 113.54 1rqr s LEU 288 Ca 0.30 2.27 -0.06 0.00 -1.03 0.00 0.00 54.13 55.61 1rqr s LEU 288 Cb -0.17 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.47 1rqr s LEU 288 CO 0.94 -1.58 0.12 -0.54 0.23 0.00 0.00 176.35 175.51 1rqr s LYS 289 N -3.51 0.40 0.30 1.70 -0.14 -1.26 -4.85 119.74 112.38 1rqr s LYS 289 Ca 0.74 -0.29 -0.30 0.00 -1.36 0.00 0.00 55.97 54.77 1rqr s LYS 289 Cb -0.27 0.17 -0.12 0.00 -1.68 0.00 0.00 37.83 35.93 1rqr s LYS 289 CO 0.34 -0.09 1.50 -1.91 -0.76 0.00 0.00 175.35 174.43 1rqr n GLU 290 N 1.80 2.47 0.00 1.68 2.13 -1.26 -4.81 120.64 122.65 1rqr n GLU 290 Ca -0.21 0.88 0.00 0.00 0.66 0.00 0.00 57.16 58.49 1rqr n GLU 290 Cb 0.56 -2.60 0.00 0.00 0.27 0.00 0.00 31.44 29.68 1rqr n GLU 290 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1rqr n GLY 291 N 1.76 0.69 3.79 8.31 0.00 -0.69 -4.99 105.19 114.07 1rqr n GLY 291 Ca 0.08 -0.82 -0.22 0.00 0.00 0.00 0.00 46.02 45.06 1rqr n GLY 291 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rqr s SER 293 N -1.20 4.95 -0.28 1.61 1.04 -1.26 -4.71 113.70 113.84 1rqr s SER 293 Ca 0.00 -0.65 0.02 0.00 0.48 0.00 0.00 55.95 55.79 1rqr s SER 293 Cb 0.00 -0.83 0.17 0.00 0.10 0.00 0.00 66.02 65.45 1rqr s SER 293 CO 0.00 -0.33 0.46 0.00 0.98 0.00 0.00 173.24 174.35 1rqr s ALA 294 N -2.37 -1.56 0.09 5.32 0.00 -0.85 -2.35 121.76 120.04 1rqr s ALA 294 Ca 0.39 0.72 0.06 0.00 0.00 0.00 0.00 51.96 53.13 1rqr s ALA 294 Cb -0.04 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.93 1rqr s ALA 294 CO 0.24 -1.63 -0.05 0.50 0.00 0.00 0.00 175.76 174.82 1rqr s ARG 295 N 2.64 2.34 0.02 0.00 3.52 -0.70 -0.19 118.95 126.57 1rqr s ARG 295 Ca 0.12 -0.92 -0.03 0.00 -0.13 0.00 0.00 55.73 54.76 1rqr s ARG 295 Cb -0.13 -2.42 -0.01 0.00 -1.56 0.00 0.00 34.95 30.83 1rqr s ARG 295 CO -0.25 0.53 0.04 0.54 -0.81 0.00 0.00 175.30 175.34 1rqr s VAL 296 N -1.24 0.11 0.12 7.11 0.11 -0.80 -1.25 120.40 124.56 1rqr s VAL 296 Ca 0.23 -0.92 -0.12 0.00 -2.93 0.00 0.00 61.98 58.24 1rqr s VAL 296 Cb -0.11 -0.46 0.04 0.00 -1.53 0.00 0.00 36.38 34.32 1rqr s VAL 296 CO 0.15 -0.50 0.60 -1.84 -3.33 0.00 0.00 175.10 170.18 1rqr n GLU 297 N 1.36 0.42 0.00 1.54 0.28 -0.71 -2.01 120.64 121.52 1rqr n GLU 297 Ca -0.22 -0.93 0.06 0.00 -0.16 0.00 0.00 57.16 55.91 1rqr n GLU 297 Cb 0.56 1.25 0.37 0.00 1.43 0.00 0.00 31.44 35.05 1rqr n GLU 297 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97