#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 3.16 -0.06 5.56 0.02 -1.26 -4.90 135.00 137.51 1rqr s PRO 9 Ca 0.00 1.65 0.04 0.00 0.02 0.00 0.00 61.00 62.71 1rqr s PRO 9 Cb 0.00 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.55 1rqr s PRO 9 CO 0.00 -1.02 -0.17 0.42 -0.33 0.00 0.00 177.00 175.90 1rqr s ILE 10 N -1.79 1.50 -0.21 2.83 1.01 -1.26 -1.57 121.20 121.71 1rqr s ILE 10 Ca 0.73 -0.72 -0.03 0.00 0.00 0.00 0.00 60.65 60.64 1rqr s ILE 10 Cb -0.25 -1.30 -0.00 0.00 0.01 0.00 0.00 42.46 40.91 1rqr s ILE 10 CO 0.31 0.43 -0.08 -0.63 0.00 0.00 0.00 174.94 174.97 1rqr s ILE 11 N 0.28 3.06 -0.25 2.92 1.01 -0.57 -1.87 121.20 125.78 1rqr s ILE 11 Ca -0.10 -0.60 -0.15 0.00 0.00 0.00 0.00 60.65 59.80 1rqr s ILE 11 Cb -0.14 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 1rqr s ILE 11 CO 0.04 0.45 0.36 0.00 0.00 0.00 0.00 174.94 175.79 1rqr s ALA 12 N 1.43 3.57 0.41 9.38 0.00 0.12 -1.29 121.76 135.39 1rqr s ALA 12 Ca 0.06 -0.75 0.07 0.00 0.00 0.00 0.00 51.96 51.34 1rqr s ALA 12 Cb -0.14 -2.65 -0.05 0.00 0.00 0.00 0.00 23.12 20.28 1rqr s ALA 12 CO -0.06 -0.52 0.20 0.12 0.00 0.00 0.00 175.76 175.51 1rqr s PHE 13 N 1.77 2.61 0.00 0.00 5.36 -0.47 -1.36 117.98 125.90 1rqr s PHE 13 Ca 0.15 -0.58 0.00 0.00 -0.96 0.00 0.00 56.93 55.54 1rqr s PHE 13 Cb -0.15 -1.98 0.00 0.00 -0.34 0.00 0.00 43.02 40.55 1rqr s PHE 13 CO 0.09 0.16 0.00 -1.13 -1.46 0.00 0.00 175.22 172.87 1rqr n SER 15 N -1.27 0.00 -1.40 6.13 3.41 -0.68 -1.69 113.62 118.11 1rqr n SER 15 Ca -0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.58 1rqr n SER 15 Cb 0.64 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.84 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 0.00 3.73 0.13 4.04 5.75 -1.12 -3.85 116.55 125.23 1rqr n ASP 16 Ca 0.00 -3.36 0.12 0.00 -0.01 0.00 0.00 54.79 51.55 1rqr n ASP 16 Cb 0.00 -0.65 0.27 0.00 -1.03 0.00 0.00 41.12 39.70 1rqr n ASP 16 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1rqr h LEU 17 N 1.75 0.00 -0.07 -2.12 3.38 -1.88 -3.45 115.31 112.92 1rqr h LEU 17 Ca 0.20 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.21 1rqr h LEU 17 Cb 1.88 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.61 1rqr h LEU 17 CO 0.49 0.02 -0.14 0.61 0.09 0.00 0.00 178.44 179.51 1rqr n GLY 18 N 1.24 -1.68 0.29 0.83 0.00 0.18 -4.71 105.19 101.35 1rqr n GLY 18 Ca 0.04 -1.44 0.08 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.17 1.74 0.78 2.61 -2.24 -1.26 -4.64 114.28 109.10 1rqr n THR 19 Ca -0.00 -2.28 0.11 0.00 -2.27 0.00 0.00 64.05 59.61 1rqr n THR 19 Cb 0.14 -0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 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 -1.16 0.03 -3.00 4.28 -2.24 -1.26 -4.99 114.28 105.94 1rqr n THR 20 Ca 0.15 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1rqr n THR 20 Cb 0.68 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 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 -1.69 0.09 -1.67 3.42 5.75 -1.26 -5.06 116.55 116.12 1rqr n ASP 21 Ca 0.03 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.89 1rqr n ASP 21 Cb 0.38 0.00 0.36 0.00 -1.03 0.00 0.00 41.12 40.84 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 0.00 4.99 -0.02 -1.12 5.75 -1.26 -4.59 116.55 120.30 1rqr n ASP 22 Ca 0.00 -2.63 -0.13 0.00 -0.01 0.00 0.00 54.79 52.03 1rqr n ASP 22 Cb 0.00 -0.62 -0.08 0.00 -1.03 0.00 0.00 41.12 39.39 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 3.87 0.11 -0.77 -1.12 0.02 -1.90 -1.49 113.55 112.26 1rqr h SER 23 Ca 0.00 -0.39 0.04 0.00 -0.84 0.00 0.00 61.79 60.59 1rqr h SER 23 Cb 1.63 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 64.09 1rqr h SER 23 CO 0.33 0.48 0.49 0.58 -1.14 0.00 0.00 176.83 177.57 1rqr h VAL 24 N -0.26 1.10 -0.07 2.27 2.07 -1.82 -2.84 116.25 116.69 1rqr h VAL 24 Ca 0.01 -0.32 -0.11 0.00 0.82 0.00 0.00 66.70 67.10 1rqr h VAL 24 Cb 0.43 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1rqr h VAL 24 CO 0.01 0.17 -0.45 0.00 0.02 0.00 0.00 177.57 177.32 1rqr h ALA 25 N 1.33 1.11 -0.38 1.67 0.00 -1.79 -0.64 119.26 120.56 1rqr h ALA 25 Ca 0.31 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1rqr h ALA 25 Cb 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1rqr h ALA 25 CO -0.12 0.60 0.22 1.96 0.00 0.00 0.00 179.25 181.92 1rqr h GLN 26 N 0.14 0.52 -0.17 0.00 4.20 -1.15 0.78 115.11 119.43 1rqr h GLN 26 Ca 0.01 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.70 1rqr h GLN 26 Cb 0.85 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.49 1rqr h GLN 26 CO 0.07 0.40 -0.04 0.00 -0.67 0.00 0.00 178.83 178.59 1rqr h LYS 28 N 0.00 1.18 -0.26 0.00 1.57 -0.86 -2.83 116.57 115.37 1rqr h LYS 28 Ca 0.08 -0.14 0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1rqr h LYS 28 Cb 0.12 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 1rqr h LYS 28 CO -0.18 0.87 -0.01 0.78 -0.57 0.00 0.00 179.45 180.34 1rqr h GLY 29 N 1.18 0.24 -3.24 3.86 0.00 -0.67 -1.38 103.07 103.06 1rqr h GLY 29 Ca 0.30 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1rqr h GLY 29 CO -0.05 -0.06 0.00 1.04 0.00 0.00 0.00 176.54 177.47 1rqr n LEU 30 N -5.17 1.76 0.00 3.11 4.77 -1.04 -1.39 117.00 119.04 1rqr n LEU 30 Ca -0.01 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 1rqr n LEU 30 Cb 0.14 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1rqr n LEU 30 CO 0.24 0.33 0.00 -1.22 -1.33 0.00 0.00 177.39 175.40 1rqr n TYR 32 N 1.58 0.00 -0.25 -1.77 4.01 -0.52 -1.97 117.16 118.24 1rqr n TYR 32 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.79 1rqr n TYR 32 Cb 0.18 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.39 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 0.12 0.67 7.72 0.02 -1.49 -2.34 113.55 118.26 1rqr h SER 33 Ca 0.00 0.13 -0.26 0.00 -0.84 0.00 0.00 61.79 60.82 1rqr h SER 33 Cb 0.00 0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 1rqr h SER 33 CO 0.00 0.02 -1.44 0.40 -1.14 0.00 0.00 176.83 174.67 1rqr h ILE 34 N 0.33 1.19 -2.06 3.27 2.04 -1.67 -3.40 117.51 117.20 1rqr h ILE 34 Ca 0.40 -2.98 -0.57 0.00 1.00 0.00 0.00 64.86 62.72 1rqr h ILE 34 Cb 0.65 2.60 -0.39 0.00 -0.74 0.00 0.00 36.82 38.94 1rqr h ILE 34 CO -0.46 0.69 -1.06 0.00 0.00 0.00 0.00 178.15 177.32 1rqr h PRO 36 N 4.23 0.30 -0.43 0.00 0.11 -1.66 0.30 132.00 134.86 1rqr h PRO 36 Ca 0.10 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1rqr h PRO 36 Cb 0.87 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1rqr h PRO 36 CO 0.47 0.20 0.00 -0.40 -0.21 0.00 0.00 178.00 178.06 1rqr n ASP 37 N -4.74 1.47 -4.82 -2.05 5.75 -1.26 -4.95 116.55 105.96 1rqr n ASP 37 Ca 0.30 -2.08 -0.32 0.00 -0.01 0.00 0.00 54.79 52.67 1rqr n ASP 37 Cb 1.04 -0.27 0.01 0.00 -1.03 0.00 0.00 41.12 40.86 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 -1.65 4.02 -0.19 2.12 0.11 0.09 -4.24 120.40 120.67 1rqr s VAL 38 Ca 0.14 0.90 -0.00 0.00 -2.93 0.00 0.00 61.98 60.08 1rqr s VAL 38 Cb 0.08 -3.47 0.01 0.00 -1.53 0.00 0.00 36.38 31.47 1rqr s VAL 38 CO 0.08 -0.62 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.18 1rqr s THR 39 N -2.61 2.50 -0.34 5.04 2.01 -0.61 -5.00 115.64 116.63 1rqr s THR 39 Ca 0.61 -0.80 -0.12 0.00 0.31 0.00 0.00 61.69 61.70 1rqr s THR 39 Cb -0.14 -2.08 -0.00 0.00 0.01 0.00 0.00 72.50 70.29 1rqr s THR 39 CO 0.39 0.50 0.21 -0.69 -0.69 0.00 0.00 174.62 174.35 1rqr s VAL 40 N 1.27 4.91 -0.25 3.82 1.01 -1.26 -1.51 120.40 128.38 1rqr s VAL 40 Ca 0.03 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 1rqr s VAL 40 Cb -0.14 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 1rqr s VAL 40 CO -0.08 -0.06 0.22 -0.69 0.00 0.00 0.00 175.10 174.48 1rqr s VAL 41 N 1.65 5.31 0.02 2.92 1.01 -0.41 -5.00 120.40 125.90 1rqr s VAL 41 Ca 0.05 0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.99 1rqr s VAL 41 Cb -0.18 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1rqr s VAL 41 CO 0.08 0.28 1.12 -1.81 0.00 0.00 0.00 175.10 174.77 1rqr s ASP 42 N 1.36 7.18 0.00 3.32 1.01 -1.26 -1.37 116.67 126.91 1rqr s ASP 42 Ca 0.09 1.85 0.00 0.00 0.71 0.00 0.00 52.55 55.20 1rqr s ASP 42 Cb -0.15 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.21 1rqr s ASP 42 CO 0.08 -0.41 0.03 0.52 0.21 0.00 0.00 175.17 175.59 1rqr n VAL 43 N 4.03 0.00 -3.66 -1.27 0.31 -0.68 -4.87 118.33 112.18 1rqr n VAL 43 Ca 0.08 0.14 -0.10 0.00 -0.01 0.00 0.00 64.34 64.46 1rqr n VAL 43 Cb 0.48 -0.36 -0.02 0.00 -0.91 0.00 0.00 33.84 33.02 1rqr n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rqr n HIS 45 N -0.41 0.00 -3.45 0.00 8.25 -1.25 -1.69 115.22 116.67 1rqr n HIS 45 Ca -0.10 -0.17 -0.41 0.00 -0.26 0.00 0.00 57.72 56.78 1rqr n HIS 45 Cb 0.62 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.67 1rqr n HIS 45 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1rqr n SER 46 N -0.21 5.01 -4.62 0.41 3.41 -1.26 -0.64 113.62 115.73 1rqr n SER 46 Ca 0.02 -3.09 -0.39 0.00 -0.26 0.00 0.00 58.87 55.14 1rqr n SER 46 Cb 0.54 -1.24 -0.08 0.00 -0.26 0.00 0.00 64.21 63.17 1rqr n SER 46 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1rqr s THR 48 N -1.39 5.14 0.13 6.66 2.01 -1.26 -5.00 115.64 121.93 1rqr s THR 48 Ca 0.30 0.70 -0.35 0.00 0.31 0.00 0.00 61.69 62.65 1rqr s THR 48 Cb -0.08 -3.75 -0.16 0.00 0.01 0.00 0.00 72.50 68.52 1rqr s THR 48 CO -0.09 0.14 1.31 -2.65 -0.69 0.00 0.00 174.62 172.64 1rqr n PRO 49 N 5.30 1.29 -0.94 4.92 -0.02 -1.26 -2.23 135.00 142.06 1rqr n PRO 49 Ca -0.07 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1rqr n PRO 49 Cb 0.50 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 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 2.27 0.00 -3.06 6.00 8.01 -1.26 -4.95 117.44 124.46 1rqr n TRP 50 Ca 0.17 0.00 -0.45 0.00 -1.31 0.00 0.00 57.50 55.91 1rqr n TRP 50 Cb 0.22 -0.31 -0.02 0.00 -2.01 0.00 0.00 31.31 29.19 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 -2.57 6.69 0.39 -0.99 -1.08 -0.95 -4.89 116.67 113.28 1rqr s ASP 51 Ca 0.00 -2.29 0.20 0.00 -0.52 0.00 0.00 52.55 49.93 1rqr s ASP 51 Cb 0.00 -2.34 0.76 0.00 -1.46 0.00 0.00 42.92 39.88 1rqr s ASP 51 CO 0.00 -0.89 1.77 -0.37 0.52 0.00 0.00 175.17 176.20 1rqr h VAL 52 N 5.45 0.82 -0.43 1.11 -1.51 -1.92 -2.32 116.25 117.45 1rqr h VAL 52 Ca 0.15 -1.39 -0.13 0.00 -1.23 0.00 0.00 66.70 64.10 1rqr h VAL 52 Cb 1.02 1.86 -0.01 0.00 -2.13 0.00 0.00 31.29 32.03 1rqr h VAL 52 CO 1.00 0.33 -0.23 -0.33 -1.23 0.00 0.00 177.57 177.11 1rqr h GLU 53 N 0.00 0.91 -0.46 5.19 3.07 -1.92 -2.36 114.58 119.01 1rqr h GLU 53 Ca -0.00 -0.41 -0.10 0.00 -0.50 0.00 0.00 59.36 58.35 1rqr h GLU 53 Cb 0.83 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.71 1rqr h GLU 53 CO 0.04 1.06 -0.09 1.49 -1.40 0.00 0.00 179.01 180.11 1rqr h GLU 54 N 0.74 0.88 -0.82 2.33 4.81 -1.86 -2.74 114.58 117.92 1rqr h GLU 54 Ca 0.09 -0.33 0.04 0.00 -0.13 0.00 0.00 59.36 59.04 1rqr h GLU 54 Cb 0.80 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.08 1rqr h GLU 54 CO 0.07 0.97 0.54 0.78 -0.73 0.00 0.00 179.01 180.64 1rqr h GLY 55 N 0.72 1.16 1.60 1.92 0.00 -1.39 -2.89 103.07 104.20 1rqr h GLY 55 Ca 0.12 -0.39 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 1rqr h GLY 55 CO 0.04 0.33 -0.21 0.00 0.00 0.00 0.00 176.54 176.70 1rqr h ALA 56 N 1.53 1.16 0.00 3.60 0.00 -1.14 -2.70 119.26 121.70 1rqr h ALA 56 Ca 0.33 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1rqr h ALA 56 Cb 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1rqr h ALA 56 CO -0.10 0.53 -0.26 0.00 0.00 0.00 0.00 179.25 179.42 1rqr h ARG 57 N 0.42 0.00 -0.00 0.00 3.08 -1.28 -2.36 114.38 114.24 1rqr h ARG 57 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1rqr h ARG 57 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1rqr h ARG 57 CO 0.04 0.26 -0.17 0.66 -1.07 0.00 0.00 179.97 179.68 1rqr n TYR 58 N -4.10 0.00 0.00 3.04 4.01 -1.02 -4.31 117.16 114.79 1rqr n TYR 58 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1rqr n TYR 58 Cb 0.32 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 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 -1.28 0.00 0.03 -0.72 -5.35 -1.15 -4.80 119.36 106.09 1rqr n ILE 59 Ca 0.10 -0.02 0.02 0.00 -0.27 0.00 0.00 62.75 62.57 1rqr n ILE 59 Cb 0.31 0.46 0.35 0.00 -1.74 0.00 0.00 39.64 39.03 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 1.17 -0.33 7.28 3.04 -1.61 -3.19 116.25 122.60 1rqr h VAL 60 Ca 0.00 -0.61 0.00 0.00 -1.01 0.00 0.00 66.70 65.08 1rqr h VAL 60 Cb 0.00 0.88 0.00 0.00 -2.01 0.00 0.00 31.29 30.16 1rqr h VAL 60 CO 0.00 0.22 0.00 0.47 -1.01 0.00 0.00 177.57 177.25 1rqr n ASP 61 N -4.33 3.16 -0.06 3.17 8.00 -1.26 -4.59 116.55 120.64 1rqr n ASP 61 Ca 0.01 -1.95 -0.16 0.00 0.71 0.00 0.00 54.79 53.40 1rqr n ASP 61 Cb 0.20 -0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 41.03 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 4.15 0.92 -0.82 0.64 3.38 -1.87 -3.38 115.31 118.33 1rqr h LEU 62 Ca 0.00 -0.57 0.15 0.00 0.09 0.00 0.00 57.88 57.55 1rqr h LEU 62 Cb 0.91 -0.27 -0.10 0.00 0.09 0.00 0.00 40.66 41.30 1rqr h LEU 62 CO 0.00 1.33 0.39 -0.65 0.09 0.00 0.00 178.44 179.60 1rqr h PRO 63 N 0.56 0.54 0.00 1.13 0.11 -1.82 -1.52 132.00 131.00 1rqr h PRO 63 Ca -0.01 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1rqr h PRO 63 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1rqr h PRO 63 CO 0.13 0.36 0.00 0.07 -0.21 0.00 0.00 178.00 178.35 1rqr h ARG 64 N 0.56 0.00 0.00 1.05 0.11 -1.75 -2.22 114.38 112.13 1rqr h ARG 64 Ca 0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.53 1rqr h ARG 64 Cb 0.66 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.74 1rqr h ARG 64 CO -0.38 0.00 -0.57 0.74 0.10 0.00 0.00 179.97 179.86 1rqr h PHE 65 N 0.00 0.00 -3.30 4.08 0.04 -1.52 -3.41 116.94 112.84 1rqr h PHE 65 Ca 0.00 0.00 -0.66 0.00 2.80 0.00 0.00 57.97 60.11 1rqr h PHE 65 Cb 0.35 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 38.37 1rqr h PHE 65 CO 0.00 0.00 -0.63 -0.06 -0.60 0.00 0.00 178.31 177.02 1rqr s PHE 66 N -3.19 3.12 0.46 -0.55 0.08 -0.84 -5.09 117.98 111.97 1rqr s PHE 66 Ca 0.06 0.11 -0.22 0.00 0.12 0.00 0.00 56.93 56.99 1rqr s PHE 66 Cb 0.12 -1.68 -0.10 0.00 -0.57 0.00 0.00 43.02 40.79 1rqr s PHE 66 CO 0.71 0.48 0.85 -2.30 -0.10 0.00 0.00 175.22 174.87 1rqr n PRO 67 N 1.31 1.02 -1.73 0.24 -0.02 -1.26 -4.89 135.00 129.67 1rqr n PRO 67 Ca -0.14 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.30 1rqr n PRO 67 Cb 0.53 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 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 0.06 2.30 -0.05 -0.52 1.02 -1.26 -2.90 120.64 119.30 1rqr n GLU 68 Ca 0.11 0.81 0.00 0.00 -0.02 0.00 0.00 57.16 58.06 1rqr n GLU 68 Cb 0.41 -2.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.35 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 0.64 0.66 3.76 0.62 0.00 0.35 -5.03 105.19 106.20 1rqr n GLY 69 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.06 3.80 -0.12 2.61 2.01 -1.14 -4.72 115.64 116.02 1rqr s THR 70 Ca 0.00 1.72 -0.03 0.00 0.31 0.00 0.00 61.69 63.69 1rqr s THR 70 Cb 0.00 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 1rqr s THR 70 CO 0.00 0.34 0.01 -0.69 -0.69 0.00 0.00 174.62 173.59 1rqr s VAL 71 N -1.28 4.35 -0.37 3.82 1.01 -0.78 -2.86 120.40 124.29 1rqr s VAL 71 Ca 0.45 -0.22 -0.05 0.00 0.00 0.00 0.00 61.98 62.17 1rqr s VAL 71 Cb -0.27 -2.87 0.08 0.00 0.00 0.00 0.00 36.38 33.32 1rqr s VAL 71 CO 0.34 0.56 0.15 -0.36 0.00 0.00 0.00 175.10 175.80 1rqr s PHE 72 N -0.45 3.40 -0.49 5.22 0.08 -0.19 -0.70 117.98 124.85 1rqr s PHE 72 Ca 0.08 -1.92 -0.21 0.00 0.12 0.00 0.00 56.93 55.00 1rqr s PHE 72 Cb -0.12 -2.74 0.04 0.00 -0.57 0.00 0.00 43.02 39.62 1rqr s PHE 72 CO 0.02 -0.86 0.73 0.00 -0.10 0.00 0.00 175.22 175.01 1rqr s ALA 73 N 1.28 3.30 -0.10 5.36 0.00 -0.46 -1.16 121.76 129.98 1rqr s ALA 73 Ca 0.02 -1.33 -0.01 0.00 0.00 0.00 0.00 51.96 50.65 1rqr s ALA 73 Cb -0.22 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.48 1rqr s ALA 73 CO -0.01 -2.02 -0.06 0.95 0.00 0.00 0.00 175.76 174.63 1rqr s THR 74 N 3.12 0.86 -0.25 0.00 -4.23 -0.87 -4.14 115.64 110.12 1rqr s THR 74 Ca 0.24 -0.18 -0.09 0.00 -1.18 0.00 0.00 61.69 60.47 1rqr s THR 74 Cb -0.15 -0.91 0.11 0.00 1.34 0.00 0.00 72.50 72.89 1rqr s THR 74 CO 0.18 0.34 0.55 0.28 -0.54 0.00 0.00 174.62 175.43 1rqr s THR 75 N 1.75 -0.75 -0.11 3.99 -1.32 -1.26 -4.10 115.64 113.84 1rqr s THR 75 Ca 0.05 0.07 0.02 0.00 -1.21 0.00 0.00 61.69 60.62 1rqr s THR 75 Cb -0.13 -0.85 0.01 0.00 -1.51 0.00 0.00 72.50 70.03 1rqr s THR 75 CO -0.07 0.03 -0.18 0.28 -2.21 0.00 0.00 174.62 172.47 1rqr s THR 76 N 2.64 1.68 -0.53 5.08 -1.32 -1.26 -2.78 115.64 119.15 1rqr s THR 76 Ca -0.05 -0.77 0.07 0.00 -1.21 0.00 0.00 61.69 59.73 1rqr s THR 76 Cb -0.11 -1.50 0.32 0.00 -1.51 0.00 0.00 72.50 69.69 1rqr s THR 76 CO -0.16 0.48 0.83 0.00 -2.21 0.00 0.00 174.62 173.55 1rqr n TYR 77 N 3.95 2.72 0.31 9.09 -0.00 -1.26 -4.81 117.16 127.16 1rqr n TYR 77 Ca -0.20 -3.95 0.19 0.00 -0.00 0.00 0.00 57.90 53.94 1rqr n TYR 77 Cb 0.52 -0.47 1.04 0.00 -0.00 0.00 0.00 39.34 40.42 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 3.28 0.00 -0.37 2.98 0.13 -1.99 -1.19 132.00 134.84 1rqr h PRO 78 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1rqr h PRO 78 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1rqr h PRO 78 CO 0.72 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.49 1rqr n ALA 79 N -2.17 2.45 -1.58 -0.56 0.00 -1.26 -4.98 120.51 112.40 1rqr n ALA 79 Ca -0.02 -0.69 -0.48 0.00 0.00 0.00 0.00 53.44 52.25 1rqr n ALA 79 Cb 0.14 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 1rqr n ALA 79 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1rqr n THR 80 N 0.65 1.23 -0.14 0.00 5.66 -0.45 -1.86 114.28 119.37 1rqr n THR 80 Ca 0.14 -0.31 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1rqr n THR 80 Cb 0.34 -0.87 0.00 0.00 -1.55 0.00 0.00 70.33 68.26 1rqr n THR 80 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1rqr n GLY 81 N 1.80 1.16 3.99 1.09 0.00 -0.30 -4.77 105.19 108.16 1rqr n GLY 81 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.60 2.09 -1.62 2.61 -4.23 -0.78 -4.98 115.64 106.15 1rqr s THR 82 Ca 0.00 -0.54 0.22 0.00 -1.18 0.00 0.00 61.69 60.19 1rqr s THR 82 Cb 0.00 -2.55 0.48 0.00 1.34 0.00 0.00 72.50 71.77 1rqr s THR 82 CO 0.00 0.00 1.73 0.35 -0.54 0.00 0.00 174.62 176.16 1rqr n THR 83 N -2.94 0.21 -1.68 3.99 -2.24 -1.26 -4.83 114.28 105.54 1rqr n THR 83 Ca 0.15 0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.56 1rqr n THR 83 Cb 0.61 -0.69 -0.00 0.00 -2.10 0.00 0.00 70.33 68.15 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 -1.19 2.18 -4.66 4.28 5.66 -1.26 -5.03 114.28 114.26 1rqr n THR 84 Ca 0.13 -0.50 -0.25 0.00 -3.05 0.00 0.00 64.05 60.38 1rqr n THR 84 Cb 0.14 -1.46 -0.14 0.00 -1.55 0.00 0.00 70.33 67.32 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 -1.94 1.35 1.15 1.09 1.81 -1.26 -4.98 118.95 116.18 1rqr s ARG 85 Ca 0.58 -0.85 -0.14 0.00 -1.72 0.00 0.00 55.73 53.60 1rqr s ARG 85 Cb -0.57 -1.42 0.24 0.00 -0.45 0.00 0.00 34.95 32.76 1rqr s ARG 85 CO 0.60 0.37 0.79 0.43 -0.68 0.00 0.00 175.30 176.81 1rqr n SER 86 N 2.04 -1.81 -4.27 0.23 7.64 -1.26 -4.16 113.62 112.03 1rqr n SER 86 Ca -0.17 -0.12 -0.26 0.00 1.01 0.00 0.00 58.87 59.33 1rqr n SER 86 Cb 0.54 -1.20 -0.14 0.00 -1.01 0.00 0.00 64.21 62.39 1rqr n SER 86 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1rqr s VAL 87 N -2.38 1.75 -0.08 0.44 0.11 -0.00 -1.99 120.40 118.26 1rqr s VAL 87 Ca 0.66 -1.24 -0.01 0.00 -2.93 0.00 0.00 61.98 58.45 1rqr s VAL 87 Cb -0.22 -1.52 0.03 0.00 -1.53 0.00 0.00 36.38 33.13 1rqr s VAL 87 CO 0.65 0.22 -0.01 0.00 -3.33 0.00 0.00 175.10 172.63 1rqr s ALA 88 N -0.81 0.81 0.05 1.54 0.00 -0.63 -1.85 121.76 120.87 1rqr s ALA 88 Ca 0.08 -0.20 0.09 0.00 0.00 0.00 0.00 51.96 51.93 1rqr s ALA 88 Cb -0.09 -0.76 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 1rqr s ALA 88 CO 0.02 -0.43 -0.25 0.14 0.00 0.00 0.00 175.76 175.24 1rqr s VAL 89 N 1.88 2.01 -0.24 0.00 -7.23 -0.22 -1.97 120.40 114.63 1rqr s VAL 89 Ca 0.04 -1.34 -0.15 0.00 -1.81 0.00 0.00 61.98 58.72 1rqr s VAL 89 Cb -0.12 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 1rqr s VAL 89 CO -0.06 0.31 0.37 -0.60 -0.31 0.00 0.00 175.10 174.82 1rqr s ARG 90 N -1.24 4.08 0.71 4.82 3.52 -0.82 -1.36 118.95 128.66 1rqr s ARG 90 Ca 0.11 0.09 -0.11 0.00 -0.13 0.00 0.00 55.73 55.69 1rqr s ARG 90 Cb -0.10 -3.60 0.03 0.00 -1.56 0.00 0.00 34.95 29.72 1rqr s ARG 90 CO 0.02 -0.17 1.09 0.96 -0.81 0.00 0.00 175.30 176.39 1rqr s ILE 91 N 1.73 3.17 0.00 4.11 -4.36 -0.82 -1.20 121.20 123.83 1rqr s ILE 91 Ca 0.16 0.30 0.00 0.00 -0.26 0.00 0.00 60.65 60.85 1rqr s ILE 91 Cb -0.15 -3.36 0.00 0.00 1.25 0.00 0.00 42.46 40.19 1rqr s ILE 91 CO 0.09 -0.46 0.00 1.17 0.24 0.00 0.00 174.94 175.97 1rqr n LYS 92 N -3.01 0.00 -2.63 0.37 4.81 -0.91 -3.03 118.16 113.76 1rqr n LYS 92 Ca 0.07 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.10 1rqr n LYS 92 Cb 0.58 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.59 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 0.13 4.64 0.47 1.64 -0.21 -0.36 -1.70 119.66 124.28 1rqr s GLN 93 Ca 0.00 1.57 0.30 0.00 0.02 0.00 0.00 55.36 57.25 1rqr s GLN 93 Cb 0.00 -3.34 1.06 0.00 1.00 0.00 0.00 33.01 31.73 1rqr s GLN 93 CO 0.00 0.12 1.86 0.00 -2.12 0.00 0.00 175.29 175.15 1rqr h ALA 94 N 5.54 1.00 -2.23 6.09 0.00 -1.85 -3.42 119.26 124.39 1rqr h ALA 94 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1rqr h ALA 94 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1rqr h ALA 94 CO 0.73 0.00 -0.43 0.00 0.00 0.00 0.00 179.25 179.55 1rqr n ALA 95 N -2.04 -2.57 -0.92 0.00 0.00 -1.26 -4.04 120.51 109.68 1rqr n ALA 95 Ca 0.02 0.21 -0.30 0.00 0.00 0.00 0.00 53.44 53.38 1rqr n ALA 95 Cb 0.35 -0.93 0.17 0.00 0.00 0.00 0.00 19.45 19.05 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 -2.44 0.63 0.00 0.00 1.02 -1.26 -4.64 119.74 113.05 1rqr s LYS 96 Ca 0.00 1.00 0.00 0.00 0.02 0.00 0.00 55.97 56.99 1rqr s LYS 96 Cb 0.00 -1.72 0.00 0.00 -0.52 0.00 0.00 37.83 35.59 1rqr s LYS 96 CO 0.00 -2.72 0.00 0.41 -0.92 0.00 0.00 175.35 172.12 1rqr n GLY 97 N -0.32 2.88 0.00 -3.33 0.00 -0.99 -4.87 105.19 98.56 1rqr n GLY 97 Ca 0.07 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 -1.00 0.33 -0.02 0.00 -1.24 -2.27 105.19 101.00 1rqr n GLY 98 Ca 0.00 -1.65 0.05 0.00 0.00 0.00 0.00 46.02 44.42 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 1.72 0.00 4.61 0.00 -1.75 -3.31 119.26 120.53 1rqr h ALA 99 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1rqr h ALA 99 Cb 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1rqr h ALA 99 CO 0.00 0.22 -0.38 -0.09 0.00 0.00 0.00 179.25 179.00 1rqr h ARG 100 N 0.64 0.00 0.00 0.00 1.12 -1.92 -3.46 114.38 110.76 1rqr h ARG 100 Ca 0.22 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.09 1rqr h ARG 100 Cb 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.06 1rqr h ARG 100 CO -0.06 0.18 0.00 0.41 -3.11 0.00 0.00 179.97 177.39 1rqr n GLY 101 N 1.65 0.57 3.53 2.80 0.00 -1.10 -5.05 105.19 107.59 1rqr n GLY 101 Ca -0.08 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.35 1.80 0.46 1.61 -2.07 -0.96 -4.75 119.66 115.39 1rqr s GLN 102 Ca 0.00 -2.01 -0.20 0.00 -1.82 0.00 0.00 55.36 51.32 1rqr s GLN 102 Cb 0.00 -1.16 -0.10 0.00 -1.09 0.00 0.00 33.01 30.66 1rqr s GLN 102 CO 0.00 -0.16 0.98 -1.58 -1.32 0.00 0.00 175.29 173.21 1rqr s TRP 103 N -3.07 3.23 0.36 9.60 0.52 -1.26 -2.35 118.94 125.97 1rqr s TRP 103 Ca 0.34 1.58 -0.25 0.00 0.02 0.00 0.00 56.10 57.80 1rqr s TRP 103 Cb 0.09 -2.91 -0.10 0.00 -1.15 0.00 0.00 33.47 29.40 1rqr s TRP 103 CO 0.16 -0.36 0.95 0.00 0.02 0.00 0.00 176.95 177.72 1rqr s ALA 104 N -2.18 3.15 0.00 0.98 0.00 -1.26 -4.42 121.76 118.03 1rqr s ALA 104 Ca 0.63 0.50 0.00 0.00 0.00 0.00 0.00 51.96 53.10 1rqr s ALA 104 Cb -0.11 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1rqr s ALA 104 CO 0.17 0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.48 1rqr n GLY 105 N 0.22 1.83 3.77 0.00 0.00 -1.26 -0.37 105.19 109.38 1rqr n GLY 105 Ca 0.04 -2.09 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 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 4.97 1.54 1.61 1.04 -1.26 -3.77 113.70 117.83 1rqr s SER 106 Ca 0.00 1.96 0.00 0.00 0.48 0.00 0.00 55.95 58.39 1rqr s SER 106 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1rqr s SER 106 CO 0.00 -1.72 0.00 0.61 0.98 0.00 0.00 173.24 173.11 1rqr n GLY 107 N -0.69 2.47 0.86 7.32 0.00 -1.26 -1.84 105.19 112.04 1rqr n GLY 107 Ca 0.10 -0.33 0.02 0.00 0.00 0.00 0.00 46.02 45.81 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 11.00 2.86 -0.26 4.61 0.00 -1.26 -5.02 120.51 132.44 1rqr n ALA 108 Ca 0.00 -0.51 0.03 0.00 0.00 0.00 0.00 53.44 52.96 1rqr n ALA 108 Cb 0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.41 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 0.20 -1.83 3.38 0.00 0.00 -0.77 -4.64 105.19 101.54 1rqr n GLY 109 Ca 0.08 -1.44 -0.35 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.87 2.97 0.39 1.61 0.08 0.51 -4.87 117.98 116.80 1rqr s PHE 110 Ca 0.00 -0.68 -0.21 0.00 0.12 0.00 0.00 56.93 56.16 1rqr s PHE 110 Cb 0.00 -2.05 -0.10 0.00 -0.57 0.00 0.00 43.02 40.29 1rqr s PHE 110 CO 0.00 -0.36 0.92 -1.21 -0.10 0.00 0.00 175.22 174.47 1rqr s GLU 111 N 1.09 4.27 -0.13 0.44 2.02 -1.26 -4.40 118.70 120.72 1rqr s GLU 111 Ca 0.01 1.10 0.03 0.00 0.02 0.00 0.00 54.97 56.13 1rqr s GLU 111 Cb -0.15 -2.34 0.00 0.00 0.10 0.00 0.00 34.13 31.75 1rqr s GLU 111 CO 0.00 0.06 -0.22 1.03 0.02 0.00 0.00 175.26 176.15 1rqr s ARG 112 N -2.92 3.06 0.53 1.61 1.81 -1.26 -5.09 118.95 116.68 1rqr s ARG 112 Ca 0.58 -0.85 -0.21 0.00 -1.72 0.00 0.00 55.73 53.54 1rqr s ARG 112 Cb -0.11 -2.42 -0.07 0.00 -0.45 0.00 0.00 34.95 31.90 1rqr s ARG 112 CO 0.16 0.06 0.97 0.00 -0.68 0.00 0.00 175.30 175.80 1rqr n ALA 113 N 3.88 0.17 -1.16 2.13 0.00 -1.26 -4.65 120.51 119.61 1rqr n ALA 113 Ca -0.20 0.09 -0.30 0.00 0.00 0.00 0.00 53.44 53.03 1rqr n ALA 113 Cb 0.52 -2.09 0.12 0.00 0.00 0.00 0.00 19.45 18.00 1rqr n ALA 113 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1rqr s GLU 114 N -2.43 1.59 -1.53 0.00 2.02 -1.26 -3.87 118.70 113.23 1rqr s GLU 114 Ca 0.70 1.04 -0.05 0.00 0.02 0.00 0.00 54.97 56.67 1rqr s GLU 114 Cb -0.47 -1.83 0.01 0.00 0.10 0.00 0.00 34.13 31.94 1rqr s GLU 114 CO 0.52 -2.07 0.59 0.41 0.02 0.00 0.00 175.26 174.73 1rqr n GLY 115 N -0.98 -0.52 0.43 -1.39 0.00 -0.69 -4.90 105.19 97.15 1rqr n GLY 115 Ca 0.08 0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.50 1.84 -3.89 1.61 7.64 -1.25 -4.93 113.62 112.15 1rqr n SER 116 Ca -0.10 -1.42 -0.12 0.00 1.01 0.00 0.00 58.87 58.24 1rqr n SER 116 Cb 0.61 0.11 -0.13 0.00 -1.01 0.00 0.00 64.21 63.79 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 -1.12 0.04 -0.08 1.43 2.02 -1.26 -0.49 117.35 117.88 1rqr s TYR 117 Ca 0.13 -0.07 0.01 0.00 -0.37 0.00 0.00 57.07 56.77 1rqr s TYR 117 Cb 0.10 -0.03 -0.03 0.00 -0.40 0.00 0.00 41.96 41.60 1rqr s TYR 117 CO 0.18 -0.04 -0.10 0.42 -1.57 0.00 0.00 175.55 174.45 1rqr s ILE 118 N -0.25 3.43 -0.13 2.71 1.01 -1.13 -1.95 121.20 124.90 1rqr s ILE 118 Ca -0.03 -0.57 -0.03 0.00 0.00 0.00 0.00 60.65 60.03 1rqr s ILE 118 Cb -0.02 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 1rqr s ILE 118 CO -0.00 0.57 -0.03 -0.31 0.00 0.00 0.00 174.94 175.17 1rqr s TYR 119 N -0.43 3.05 -0.09 3.97 2.02 -0.47 -1.02 117.35 124.39 1rqr s TYR 119 Ca 0.06 -0.12 0.03 0.00 -0.37 0.00 0.00 57.07 56.67 1rqr s TYR 119 Cb -0.12 -1.88 0.01 0.00 -0.40 0.00 0.00 41.96 39.56 1rqr s TYR 119 CO 0.02 0.15 -0.19 -1.50 -1.57 0.00 0.00 175.55 172.45 1rqr s ILE 120 N -0.11 1.70 0.11 2.71 2.07 -0.31 -1.06 121.20 126.31 1rqr s ILE 120 Ca 0.03 -0.81 -0.25 0.00 -1.41 0.00 0.00 60.65 58.21 1rqr s ILE 120 Cb -0.13 -1.49 0.08 0.00 0.13 0.00 0.00 42.46 41.05 1rqr s ILE 120 CO 0.02 0.48 0.71 0.00 -1.91 0.00 0.00 174.94 174.24 1rqr s ALA 121 N 0.48 -1.65 0.46 1.50 0.00 -0.77 -2.06 121.76 119.72 1rqr s ALA 121 Ca -0.17 0.60 -0.25 0.00 0.00 0.00 0.00 51.96 52.14 1rqr s ALA 121 Cb -0.17 0.73 -0.08 0.00 0.00 0.00 0.00 23.12 23.60 1rqr s ALA 121 CO 0.07 -0.77 1.41 -1.25 0.00 0.00 0.00 175.76 175.22 1rqr s PRO 122 N -3.54 3.61 -1.37 0.00 0.04 -1.26 -0.82 135.00 131.65 1rqr s PRO 122 Ca 0.03 2.38 -0.09 0.00 0.04 0.00 0.00 61.00 63.37 1rqr s PRO 122 Cb -0.01 -2.60 -0.10 0.00 0.04 0.00 0.00 34.50 31.83 1rqr s PRO 122 CO -0.10 -0.87 2.85 -1.71 0.04 0.00 0.00 177.00 177.21 1rqr n ASN 123 N -0.31 7.79 -0.03 6.66 2.85 -1.26 -4.26 115.26 126.70 1rqr n ASN 123 Ca 0.06 -2.51 0.01 0.00 -0.11 0.00 0.00 54.58 52.03 1rqr n ASN 123 Cb 0.42 -1.46 0.02 0.00 1.24 0.00 0.00 39.78 40.00 1rqr n ASN 123 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1rqr n ASN 124 N 3.60 1.61 0.00 1.20 0.23 -1.26 -4.57 115.26 116.07 1rqr n ASN 124 Ca 0.70 -1.96 0.00 0.00 -0.53 0.00 0.00 54.58 52.79 1rqr n ASN 124 Cb 0.26 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 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 -0.51 0.72 0.25 4.83 0.00 -1.21 -4.80 105.19 104.46 1rqr n GLY 125 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 -1.22 0.99 5.85 -1.84 -1.24 115.31 117.85 1rqr h LEU 126 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1rqr h LEU 126 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1rqr h LEU 126 CO 0.00 0.10 0.00 0.18 -0.34 0.00 0.00 178.44 178.38 1rqr n LEU 127 N -4.24 1.83 -0.17 2.25 4.77 -1.26 -4.30 117.00 115.87 1rqr n LEU 127 Ca -0.03 -0.78 -0.12 0.00 -0.03 0.00 0.00 56.01 55.06 1rqr n LEU 127 Cb 0.18 -0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 41.07 1rqr n LEU 127 CO 0.34 0.39 0.53 0.74 -1.33 0.00 0.00 177.39 178.06 1rqr h THR 128 N 2.38 0.04 0.00 -5.08 2.02 -1.49 -1.71 112.91 109.07 1rqr h THR 128 Ca 0.00 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 1rqr h THR 128 Cb 0.52 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1rqr h THR 128 CO 0.00 0.00 -0.43 0.71 0.37 0.00 0.00 175.52 176.17 1rqr h THR 129 N -0.32 0.94 -0.73 3.16 1.35 -1.84 -2.29 112.91 113.18 1rqr h THR 129 Ca 0.12 -1.71 -0.03 0.00 -0.55 0.00 0.00 66.41 64.24 1rqr h THR 129 Cb 0.58 2.03 -0.03 0.00 -1.73 0.00 0.00 68.15 69.00 1rqr h THR 129 CO -0.64 0.42 0.35 0.58 -0.25 0.00 0.00 175.52 175.97 1rqr h VAL 130 N 0.00 1.24 -0.12 6.82 2.07 -1.65 -0.77 116.25 123.85 1rqr h VAL 130 Ca -0.00 -0.68 -0.11 0.00 0.82 0.00 0.00 66.70 66.73 1rqr h VAL 130 Cb 1.00 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1rqr h VAL 130 CO 0.06 0.29 -0.34 -0.07 0.02 0.00 0.00 177.57 177.52 1rqr h LEU 131 N 1.03 0.50 -0.02 2.57 3.38 -1.02 -1.76 115.31 120.00 1rqr h LEU 131 Ca 0.25 -0.60 0.03 0.00 0.09 0.00 0.00 57.88 57.66 1rqr h LEU 131 Cb 0.13 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 1rqr h LEU 131 CO -0.03 1.01 -0.39 -0.08 0.09 0.00 0.00 178.44 179.04 1rqr h GLU 132 N 0.02 -0.52 0.00 1.13 4.81 -1.40 0.10 114.58 118.73 1rqr h GLU 132 Ca -0.01 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1rqr h GLU 132 Cb 0.96 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1rqr h GLU 132 CO 0.07 -0.34 -0.21 1.49 -0.73 0.00 0.00 179.01 179.29 1rqr h GLU 133 N -0.54 0.00 0.00 1.92 4.81 -1.16 -3.36 114.58 116.26 1rqr h GLU 133 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1rqr h GLU 133 Cb 0.63 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1rqr h GLU 133 CO -0.32 0.21 -0.72 0.72 -0.73 0.00 0.00 179.01 178.17 1rqr n HIS 134 N -3.29 0.00 -1.20 0.92 8.25 -0.67 -4.82 115.22 114.42 1rqr n HIS 134 Ca 0.01 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.63 1rqr n HIS 134 Cb 0.47 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.53 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 2.04 -2.24 3.14 -1.41 0.00 0.02 -1.22 105.19 105.52 1rqr n GLY 135 Ca 0.00 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.65 -0.11 -0.13 1.61 -0.85 -1.26 -2.14 117.35 111.82 1rqr s TYR 136 Ca 0.00 0.20 0.16 0.00 -0.52 0.00 0.00 57.07 56.91 1rqr s TYR 136 Cb 0.00 0.03 -0.24 0.00 0.38 0.00 0.00 41.96 42.13 1rqr s TYR 136 CO 0.00 -0.26 0.35 1.28 -1.52 0.00 0.00 175.55 175.39 1rqr n LEU 137 N 1.88 0.37 -3.64 -3.49 4.77 -0.34 -4.80 117.00 111.75 1rqr n LEU 137 Ca -0.19 0.17 -0.14 0.00 -0.03 0.00 0.00 56.01 55.82 1rqr n LEU 137 Cb 0.57 0.34 -0.07 0.00 -2.33 0.00 0.00 43.42 41.93 1rqr n LEU 137 CO 0.20 0.42 0.21 -1.61 -1.33 0.00 0.00 177.39 175.28 1rqr s GLU 138 N -2.59 0.91 -0.12 3.23 2.02 -1.23 -5.01 118.70 115.92 1rqr s GLU 138 Ca -0.08 -0.16 -0.09 0.00 0.02 0.00 0.00 54.97 54.66 1rqr s GLU 138 Cb 0.07 0.42 0.04 0.00 0.10 0.00 0.00 34.13 34.76 1rqr s GLU 138 CO 0.83 -0.30 0.31 0.00 0.02 0.00 0.00 175.26 176.12 1rqr s ALA 139 N -1.92 -0.77 -0.04 5.21 0.00 -1.26 -1.94 121.76 121.03 1rqr s ALA 139 Ca -0.08 1.04 -0.03 0.00 0.00 0.00 0.00 51.96 52.88 1rqr s ALA 139 Cb -0.02 -0.62 0.01 0.00 0.00 0.00 0.00 23.12 22.50 1rqr s ALA 139 CO 0.02 -0.18 0.11 0.71 0.00 0.00 0.00 175.76 176.42 1rqr s TYR 140 N 0.67 -0.12 0.30 0.00 2.02 -0.83 -1.01 117.35 118.38 1rqr s TYR 140 Ca -0.04 0.30 -0.30 0.00 -0.37 0.00 0.00 57.07 56.66 1rqr s TYR 140 Cb -0.05 0.02 -0.12 0.00 -0.40 0.00 0.00 41.96 41.40 1rqr s TYR 140 CO -0.04 -0.07 1.57 -1.91 -1.57 0.00 0.00 175.55 173.52 1rqr n GLU 141 N 3.21 2.64 -3.21 -0.62 2.13 -0.86 -1.60 120.64 122.33 1rqr n GLU 141 Ca -0.15 0.94 -0.46 0.00 0.66 0.00 0.00 57.16 58.15 1rqr n GLU 141 Cb 0.58 -2.70 -0.03 0.00 0.27 0.00 0.00 31.44 29.56 1rqr n GLU 141 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1rqr s VAL 142 N -0.14 5.27 0.00 6.31 1.01 -0.84 -3.01 120.40 129.01 1rqr s VAL 142 Ca 0.63 -1.99 0.00 0.00 0.00 0.00 0.00 61.98 60.62 1rqr s VAL 142 Cb -0.51 -4.53 0.00 0.00 0.00 0.00 0.00 36.38 31.34 1rqr s VAL 142 CO 0.50 -1.14 0.00 0.35 0.00 0.00 0.00 175.10 174.81 1rqr n THR 143 N 4.64 0.00 -1.97 3.92 -2.24 -0.66 -4.39 114.28 113.58 1rqr n THR 143 Ca 0.11 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.47 1rqr n THR 143 Cb 0.46 0.41 -0.02 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.65 6.60 0.16 3.42 0.15 -0.39 -4.88 113.70 117.11 1rqr s SER 144 Ca 0.00 2.74 0.17 0.00 0.70 0.00 0.00 55.95 59.56 1rqr s SER 144 Cb 0.00 -2.63 0.76 0.00 -1.71 0.00 0.00 66.02 62.44 1rqr s SER 144 CO 0.00 -0.73 1.51 -0.81 1.20 0.00 0.00 173.24 174.41 1rqr n PRO 145 N 2.01 0.10 0.23 5.44 -0.04 -1.26 -1.93 135.00 139.55 1rqr n PRO 145 Ca 0.06 0.44 0.11 0.00 -0.04 0.00 0.00 63.50 64.07 1rqr n PRO 145 Cb 0.40 -1.73 0.52 0.00 -0.04 0.00 0.00 33.50 32.65 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 -3.36 116.57 113.36 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 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1rqr h LYS 146 CO 0.00 0.20 0.00 1.33 -0.57 0.00 0.00 179.45 180.41 1rqr n VAL 147 N -3.41 0.00 -4.25 0.50 0.24 -0.94 -5.04 118.33 105.42 1rqr n VAL 147 Ca -0.00 -0.35 -0.15 0.00 -2.04 0.00 0.00 64.34 61.80 1rqr n VAL 147 Cb 0.39 1.08 -0.10 0.00 -1.47 0.00 0.00 33.84 33.74 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 -0.52 1.23 0.65 1.34 -4.36 -0.81 -2.72 121.20 116.00 1rqr s ILE 148 Ca 0.00 -2.01 -0.18 0.00 -0.26 0.00 0.00 60.65 58.20 1rqr s ILE 148 Cb 0.00 -1.80 -0.01 0.00 1.25 0.00 0.00 42.46 41.90 1rqr s ILE 148 CO 0.00 -0.68 1.27 -2.84 0.24 0.00 0.00 174.94 172.92 1rqr s PRO 149 N -3.56 2.58 0.17 0.37 0.02 -1.26 -4.39 135.00 128.93 1rqr s PRO 149 Ca 0.16 1.98 -0.08 0.00 0.02 0.00 0.00 61.00 63.08 1rqr s PRO 149 Cb 0.01 -1.86 0.04 0.00 0.02 0.00 0.00 34.50 32.71 1rqr s PRO 149 CO 0.01 -1.55 1.50 0.93 -0.33 0.00 0.00 177.00 177.56 1rqr h GLU 150 N 0.51 0.80 -3.23 5.54 5.08 -1.96 -3.37 114.58 117.94 1rqr h GLU 150 Ca -0.50 -0.43 -0.63 0.00 -1.00 0.00 0.00 59.36 56.79 1rqr h GLU 150 Cb 1.32 0.02 -0.41 0.00 0.50 0.00 0.00 28.75 30.18 1rqr h GLU 150 CO 0.53 1.06 -0.64 -0.65 -1.00 0.00 0.00 179.01 178.32 1rqr s GLN 151 N -4.29 1.99 0.24 2.33 -1.52 -1.26 -5.10 119.66 112.06 1rqr s GLN 151 Ca -0.10 -2.73 -0.30 0.00 -1.95 0.00 0.00 55.36 50.29 1rqr s GLN 151 Cb 0.11 -3.18 -0.09 0.00 -0.22 0.00 0.00 33.01 29.64 1rqr s GLN 151 CO 0.86 -1.17 1.13 -1.25 -0.25 0.00 0.00 175.29 174.61 1rqr s PRO 152 N -0.51 4.59 -0.17 2.91 0.05 -1.26 -4.95 135.00 135.65 1rqr s PRO 152 Ca 0.20 1.82 -0.34 0.00 0.05 0.00 0.00 61.00 62.72 1rqr s PRO 152 Cb -0.19 -3.21 -0.11 0.00 0.05 0.00 0.00 34.50 31.03 1rqr s PRO 152 CO -0.05 0.11 1.98 -1.91 0.05 0.00 0.00 177.00 177.18 1rqr n GLU 153 N 1.68 1.85 -0.35 4.56 4.07 -1.26 -4.87 120.64 126.33 1rqr n GLU 153 Ca 0.01 0.64 0.15 0.00 -0.06 0.00 0.00 57.16 57.90 1rqr n GLU 153 Cb 0.45 -2.64 0.36 0.00 -0.06 0.00 0.00 31.44 29.55 1rqr n GLU 153 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 1rqr h PRO 154 N 10.45 0.65 -0.57 5.31 0.11 -1.94 -2.46 132.00 143.57 1rqr h PRO 154 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1rqr h PRO 154 Cb 1.28 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1rqr h PRO 154 CO 0.97 0.43 0.00 0.25 -0.21 0.00 0.00 178.00 179.44 1rqr n THR 155 N -4.78 2.45 -2.73 -1.15 -2.24 -1.26 -1.15 114.28 103.40 1rqr n THR 155 Ca 0.24 -1.39 -0.10 0.00 -2.27 0.00 0.00 64.05 60.53 1rqr n THR 155 Cb 0.65 -0.15 0.03 0.00 -2.10 0.00 0.00 70.33 68.76 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 0.67 0.79 0.23 4.78 -0.00 -0.92 -4.91 117.46 118.09 1rqr n PHE 156 Ca 0.27 -2.87 0.11 0.00 -0.00 0.00 0.00 57.45 54.95 1rqr n PHE 156 Cb 1.08 -0.26 0.54 0.00 -0.00 0.00 0.00 39.48 40.84 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 2.95 0.00 -0.15 -5.13 -1.99 -1.81 -1.78 116.97 109.06 1rqr h TYR 157 Ca -0.08 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.66 1rqr h TYR 157 Cb 1.16 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.88 1rqr h TYR 157 CO 0.47 0.20 0.10 0.77 -0.00 0.00 0.00 178.16 179.70 1rqr h SER 158 N 0.00 0.12 0.07 3.88 0.02 -1.91 -2.88 113.55 112.84 1rqr h SER 158 Ca -0.00 -0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 1rqr h SER 158 Cb 0.63 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 1rqr h SER 158 CO 0.03 0.08 -1.03 -0.09 -1.14 0.00 0.00 176.83 174.68 1rqr h ARG 159 N 0.14 0.14 -0.20 3.45 2.43 -1.80 -1.72 114.38 116.81 1rqr h ARG 159 Ca 0.06 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1rqr h ARG 159 Cb 0.08 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1rqr h ARG 159 CO -0.01 1.11 0.00 0.39 -1.51 0.00 0.00 179.97 179.95 1rqr n GLU 160 N -4.21 0.80 0.00 0.20 -0.58 -0.73 -1.84 120.64 114.28 1rqr n GLU 160 Ca -0.23 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.51 1rqr n GLU 160 Cb 0.75 -1.10 0.00 0.00 -0.57 0.00 0.00 31.44 30.52 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 -0.35 0.00 0.06 2.62 0.31 -1.19 -4.43 118.33 115.36 1rqr n VAL 162 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 1rqr n VAL 162 Cb 0.05 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.90 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 -0.15 0.44 3.52 0.00 -1.20 -1.18 119.26 120.69 1rqr h ALA 163 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1rqr h ALA 163 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1rqr h ALA 163 CO 0.00 -0.44 -0.21 0.82 0.00 0.00 0.00 179.25 179.42 1rqr h ILE 164 N -0.44 0.55 -0.79 0.00 2.04 -1.59 -2.96 117.51 114.32 1rqr h ILE 164 Ca -0.02 -0.25 0.13 0.00 1.00 0.00 0.00 64.86 65.72 1rqr h ILE 164 Cb 0.36 0.67 -0.09 0.00 -0.74 0.00 0.00 36.82 37.02 1rqr h ILE 164 CO 0.03 0.05 0.38 -0.65 0.00 0.00 0.00 178.15 177.96 1rqr h PRO 165 N -0.74 0.56 -0.65 2.37 0.11 -1.57 -2.30 132.00 129.77 1rqr h PRO 165 Ca -0.06 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 66.09 1rqr h PRO 165 Cb 0.53 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.47 1rqr h PRO 165 CO 0.10 0.37 0.43 0.66 -0.21 0.00 0.00 178.00 179.35 1rqr h SER 166 N 0.58 0.52 -0.28 -2.05 4.64 -1.09 -1.99 113.55 113.87 1rqr h SER 166 Ca 0.42 0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.65 1rqr h SER 166 Cb 0.58 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1rqr h SER 166 CO -0.35 0.33 -0.21 0.00 -0.87 0.00 0.00 176.83 175.73 1rqr h ALA 167 N 1.66 0.41 -0.39 5.18 0.00 -1.26 -0.61 119.26 124.26 1rqr h ALA 167 Ca 0.29 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1rqr h ALA 167 Cb 0.37 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1rqr h ALA 167 CO -0.09 0.36 0.22 0.45 0.00 0.00 0.00 179.25 180.19 1rqr h HIS 168 N 0.39 0.41 -0.83 0.00 3.86 -1.28 -1.05 115.15 116.66 1rqr h HIS 168 Ca 0.05 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 1rqr h HIS 168 Cb 0.76 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 29.06 1rqr h HIS 168 CO 0.07 0.24 0.45 -0.07 0.86 0.00 0.00 177.93 179.48 1rqr h LEU 169 N 0.45 1.03 -1.48 2.43 3.38 -1.32 -1.40 115.31 118.41 1rqr h LEU 169 Ca 0.15 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1rqr h LEU 169 Cb 0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1rqr h LEU 169 CO -0.08 0.83 -0.18 0.00 0.09 0.00 0.00 178.44 179.10 1rqr h ALA 170 N 1.34 1.57 -0.05 1.53 0.00 -0.67 -2.84 119.26 120.14 1rqr h ALA 170 Ca 0.29 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1rqr h ALA 170 Cb 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1rqr h ALA 170 CO -0.05 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.52 1rqr n ALA 171 N -2.49 2.59 0.00 0.00 0.00 -0.44 -4.81 120.51 115.36 1rqr n ALA 171 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1rqr n ALA 171 Cb 0.28 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 0.93 0.47 3.68 0.00 0.00 -1.07 -5.06 105.19 104.14 1rqr n GLY 172 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.54 2.33 -2.05 1.61 7.35 -0.58 -4.85 117.46 119.72 1rqr n PHE 173 Ca 0.00 0.30 -0.42 0.00 -0.76 0.00 0.00 57.45 56.57 1rqr n PHE 173 Cb 0.00 -2.53 -0.03 0.00 0.35 0.00 0.00 39.48 37.27 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 0.43 4.26 0.20 -7.13 0.02 -1.26 -4.56 135.00 126.95 1rqr s PRO 174 Ca 0.74 2.22 -0.11 0.00 0.02 0.00 0.00 61.00 63.87 1rqr s PRO 174 Cb -0.64 -3.29 0.14 0.00 0.02 0.00 0.00 34.50 30.73 1rqr s PRO 174 CO 0.42 -0.56 1.87 1.25 -0.33 0.00 0.00 177.00 179.65 1rqr h LEU 175 N 7.19 0.83 -1.84 -5.54 5.85 -1.96 -2.43 115.31 117.41 1rqr h LEU 175 Ca -0.42 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1rqr h LEU 175 Cb 1.20 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1rqr h LEU 175 CO 0.90 0.61 0.00 0.77 -0.34 0.00 0.00 178.44 180.37 1rqr h SER 176 N 0.98 0.00 -0.19 1.25 4.64 -1.92 -3.03 113.55 115.29 1rqr h SER 176 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1rqr h SER 176 Cb -0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1rqr h SER 176 CO -0.06 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.28 1rqr n GLU 177 N -2.72 1.76 0.23 4.77 1.02 -0.92 -4.20 120.64 120.59 1rqr n GLU 177 Ca -0.01 -1.14 0.13 0.00 -0.02 0.00 0.00 57.16 56.11 1rqr n GLU 177 Cb 0.14 -1.39 0.37 0.00 -0.02 0.00 0.00 31.44 30.55 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 2.27 0.15 0.00 2.62 -1.51 -1.67 -3.45 116.25 114.67 1rqr h VAL 178 Ca 0.00 -0.96 0.00 0.00 -1.23 0.00 0.00 66.70 64.51 1rqr h VAL 178 Cb 0.50 1.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 1rqr h VAL 178 CO 0.00 0.07 0.00 0.61 -1.23 0.00 0.00 177.57 177.02 1rqr n GLY 179 N 0.62 -2.74 3.72 5.19 0.00 -1.16 -1.26 105.19 109.56 1rqr n GLY 179 Ca 0.02 -1.34 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.97 1.78 0.56 1.61 1.70 -1.26 -4.64 118.95 116.73 1rqr s ARG 180 Ca 0.00 1.53 -0.19 0.00 -0.47 0.00 0.00 55.73 56.60 1rqr s ARG 180 Cb 0.00 -1.82 -0.05 0.00 -0.57 0.00 0.00 34.95 32.51 1rqr s ARG 180 CO 0.00 -2.06 1.12 -1.25 -1.08 0.00 0.00 175.30 172.04 1rqr s PRO 181 N -4.42 3.31 -0.02 3.89 0.04 -1.26 -2.03 135.00 134.50 1rqr s PRO 181 Ca 0.68 1.57 -0.01 0.00 0.04 0.00 0.00 61.00 63.28 1rqr s PRO 181 Cb -0.23 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 1rqr s PRO 181 CO 0.52 -0.88 0.06 -0.51 0.04 0.00 0.00 177.00 176.24 1rqr s LEU 182 N -3.93 3.83 0.60 -3.56 1.43 -0.18 -4.77 118.68 112.11 1rqr s LEU 182 Ca 0.72 0.14 -0.06 0.00 -1.03 0.00 0.00 54.13 53.90 1rqr s LEU 182 Cb -0.23 -2.17 0.01 0.00 0.03 0.00 0.00 46.19 43.83 1rqr s LEU 182 CO 0.29 0.29 0.91 -1.61 0.23 0.00 0.00 176.35 176.46 1rqr s GLU 183 N -1.57 2.85 0.41 1.70 2.02 -1.26 -4.67 118.70 118.18 1rqr s GLU 183 Ca 0.21 -0.02 0.10 0.00 0.02 0.00 0.00 54.97 55.28 1rqr s GLU 183 Cb -0.12 -2.26 0.86 0.00 0.10 0.00 0.00 34.13 32.71 1rqr s GLU 183 CO 0.11 -0.76 1.96 0.22 0.02 0.00 0.00 175.26 176.82 1rqr h ASP 184 N -0.22 0.22 1.07 -0.19 3.58 -1.99 -2.28 116.42 116.60 1rqr h ASP 184 Ca -0.45 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 56.94 1rqr h ASP 184 Cb 1.26 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 42.25 1rqr h ASP 184 CO 0.61 0.32 -0.10 1.12 -2.88 0.00 0.00 179.24 178.31 1rqr h HIS 185 N 0.23 0.00 -0.07 0.28 2.07 -2.04 -2.85 115.15 112.77 1rqr h HIS 185 Ca 0.05 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.57 1rqr h HIS 185 Cb 0.27 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.25 1rqr h HIS 185 CO 0.00 0.10 0.00 0.39 -3.07 0.00 0.00 177.93 175.35 1rqr n GLU 186 N -3.22 1.55 -3.41 5.12 1.02 -0.86 -4.67 120.64 116.18 1rqr n GLU 186 Ca 0.01 -0.82 -0.41 0.00 -0.02 0.00 0.00 57.16 55.92 1rqr n GLU 186 Cb 0.38 -1.43 -0.09 0.00 -0.02 0.00 0.00 31.44 30.28 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 -1.91 5.17 0.29 -3.67 1.01 -1.08 -4.98 121.20 116.03 1rqr s ILE 187 Ca 0.36 -0.07 -0.29 0.00 0.00 0.00 0.00 60.65 60.64 1rqr s ILE 187 Cb 0.19 -3.85 -0.10 0.00 0.01 0.00 0.00 42.46 38.71 1rqr s ILE 187 CO 0.30 -0.14 1.33 -0.69 0.00 0.00 0.00 174.94 175.73 1rqr s VAL 188 N 1.99 2.81 0.04 2.92 1.01 -1.26 -5.01 120.40 122.89 1rqr s VAL 188 Ca 0.11 0.76 0.07 0.00 0.00 0.00 0.00 61.98 62.92 1rqr s VAL 188 Cb -0.17 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1rqr s VAL 188 CO 0.12 0.16 -0.21 -0.13 0.00 0.00 0.00 175.10 175.04 1rqr s ARG 189 N -1.19 1.42 0.03 2.72 3.00 -1.26 -3.32 118.95 120.35 1rqr s ARG 189 Ca 0.52 -0.91 -0.14 0.00 0.00 0.00 0.00 55.73 55.20 1rqr s ARG 189 Cb -0.39 -1.51 -0.06 0.00 0.00 0.00 0.00 34.95 32.99 1rqr s ARG 189 CO 0.48 0.39 0.42 -0.59 0.00 0.00 0.00 175.30 176.00 1rqr s PHE 190 N -0.76 3.69 0.08 -0.53 -0.12 -1.26 -4.90 117.98 114.18 1rqr s PHE 190 Ca 0.07 0.95 -0.24 0.00 -0.05 0.00 0.00 56.93 57.67 1rqr s PHE 190 Cb -0.09 -2.27 -0.06 0.00 -0.63 0.00 0.00 43.02 39.97 1rqr s PHE 190 CO 0.01 0.60 0.72 1.21 -0.05 0.00 0.00 175.22 177.71 1rqr s ASN 191 N -1.27 7.22 -0.40 1.98 2.47 -1.26 -5.00 114.94 118.68 1rqr s ASN 191 Ca 0.27 1.45 -0.13 0.00 0.42 0.00 0.00 52.86 54.87 1rqr s ASN 191 Cb -0.16 -2.45 0.03 0.00 -1.45 0.00 0.00 41.25 37.23 1rqr s ASN 191 CO 0.15 0.13 0.26 -0.60 -3.72 0.00 0.00 177.10 173.32 1rqr s ARG 192 N -0.59 2.86 0.20 0.43 3.52 -1.26 -5.04 118.95 119.08 1rqr s ARG 192 Ca 0.35 -1.12 -0.32 0.00 -0.13 0.00 0.00 55.73 54.51 1rqr s ARG 192 Cb -0.21 -3.86 -0.11 0.00 -1.56 0.00 0.00 34.95 29.21 1rqr s ARG 192 CO 0.23 -0.77 1.67 -1.25 -0.81 0.00 0.00 175.30 174.37 1rqr s PRO 193 N 1.59 4.15 0.56 5.12 0.04 -1.26 -4.95 135.00 140.25 1rqr s PRO 193 Ca 0.03 2.53 -0.16 0.00 0.04 0.00 0.00 61.00 63.45 1rqr s PRO 193 Cb -0.20 -3.09 -0.06 0.00 0.04 0.00 0.00 34.50 31.19 1rqr s PRO 193 CO 0.07 -0.70 1.02 0.00 0.04 0.00 0.00 177.00 177.43 1rqr s ALA 194 N 1.10 2.95 -0.40 8.56 0.00 -1.26 -5.02 121.76 127.68 1rqr s ALA 194 Ca 0.73 0.23 -0.28 0.00 0.00 0.00 0.00 51.96 52.63 1rqr s ALA 194 Cb -0.48 -3.16 0.02 0.00 0.00 0.00 0.00 23.12 19.51 1rqr s ALA 194 CO 0.33 -0.50 1.05 0.08 0.00 0.00 0.00 175.76 176.72 1rqr s VAL 195 N -2.63 4.42 0.66 0.00 1.01 -1.26 -4.92 120.40 117.69 1rqr s VAL 195 Ca 0.60 1.36 -0.02 0.00 0.00 0.00 0.00 61.98 63.92 1rqr s VAL 195 Cb -0.12 -4.46 0.08 0.00 0.00 0.00 0.00 36.38 31.87 1rqr s VAL 195 CO 0.36 -0.70 0.93 -1.61 0.00 0.00 0.00 175.10 174.08 1rqr s GLU 196 N 3.90 2.08 -0.15 2.72 2.02 -0.79 -4.88 118.70 123.59 1rqr s GLU 196 Ca 0.44 -0.75 0.01 0.00 0.02 0.00 0.00 54.97 54.68 1rqr s GLU 196 Cb -0.10 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 31.80 1rqr s GLU 196 CO 0.23 -1.17 -0.16 -0.65 0.02 0.00 0.00 175.26 173.52 1rqr s GLN 197 N -5.06 3.17 -0.77 1.61 -0.21 -1.26 -1.64 119.66 115.50 1rqr s GLN 197 Ca 0.62 -0.77 -0.06 0.00 0.02 0.00 0.00 55.36 55.17 1rqr s GLN 197 Cb -0.08 -2.60 0.20 0.00 1.00 0.00 0.00 33.01 31.53 1rqr s GLN 197 CO 0.43 -0.01 0.64 0.34 -2.12 0.00 0.00 175.29 174.57 1rqr s ASP 198 N 0.86 5.91 1.25 5.90 2.15 -0.89 -4.97 116.67 126.86 1rqr s ASP 198 Ca -0.05 -3.09 0.00 0.00 0.43 0.00 0.00 52.55 49.85 1rqr s ASP 198 Cb -0.15 -1.97 0.00 0.00 -0.30 0.00 0.00 42.92 40.49 1rqr s ASP 198 CO -0.01 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 175.24 1rqr n GLY 199 N 3.25 1.31 0.61 2.66 0.00 -1.26 -3.30 105.19 108.46 1rqr n GLY 199 Ca 0.14 -0.52 0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 12.49 1.48 -2.74 1.61 -0.58 -1.26 -4.92 120.64 126.72 1rqr n GLU 200 Ca 0.00 -1.22 -0.36 0.00 -0.42 0.00 0.00 57.16 55.16 1rqr n GLU 200 Cb 0.00 -1.47 -0.06 0.00 -0.57 0.00 0.00 31.44 29.34 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 -2.36 3.14 -0.11 0.62 0.00 -1.21 -4.81 121.76 117.03 1rqr s ALA 201 Ca 0.21 0.53 -0.03 0.00 0.00 0.00 0.00 51.96 52.67 1rqr s ALA 201 Cb 0.19 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 1rqr s ALA 201 CO 0.51 0.08 0.00 -0.51 0.00 0.00 0.00 175.76 175.84 1rqr s LEU 202 N -2.48 3.56 -0.11 0.00 1.43 -0.20 -2.09 118.68 118.79 1rqr s LEU 202 Ca 0.55 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 1rqr s LEU 202 Cb -0.17 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.25 1rqr s LEU 202 CO 0.22 0.33 -0.10 -0.69 0.23 0.00 0.00 176.35 176.33 1rqr s VAL 203 N -0.58 1.19 0.00 -1.59 1.01 -0.65 -1.22 120.40 118.56 1rqr s VAL 203 Ca 0.10 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1rqr s VAL 203 Cb -0.12 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1rqr s VAL 203 CO 0.02 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1rqr n GLY 204 N 4.72 4.49 3.19 4.51 0.00 -0.32 -1.89 105.19 119.89 1rqr n GLY 204 Ca -0.15 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 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 0.27 0.82 -0.31 1.61 -7.23 -1.26 -1.09 120.40 113.20 1rqr s VAL 205 Ca 0.00 -1.97 -0.29 0.00 -1.81 0.00 0.00 61.98 57.91 1rqr s VAL 205 Cb 0.00 -1.72 -0.00 0.00 0.56 0.00 0.00 36.38 35.21 1rqr s VAL 205 CO 0.00 -0.84 1.43 -0.69 -0.31 0.00 0.00 175.10 174.69 1rqr s VAL 206 N -3.54 3.93 0.28 1.32 1.01 -1.26 -2.27 120.40 119.86 1rqr s VAL 206 Ca 0.13 1.02 0.07 0.00 0.00 0.00 0.00 61.98 63.20 1rqr s VAL 206 Cb 0.05 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1rqr s VAL 206 CO -0.03 -0.51 1.65 0.77 0.00 0.00 0.00 175.10 176.97 1rqr h SER 207 N 10.23 0.18 -3.78 3.32 4.64 -1.29 -1.90 113.55 124.95 1rqr h SER 207 Ca -0.29 -0.09 0.08 0.00 -0.47 0.00 0.00 61.79 61.02 1rqr h SER 207 Cb 1.12 -0.05 -0.24 0.00 -0.31 0.00 0.00 62.40 62.91 1rqr h SER 207 CO 1.04 0.67 0.53 0.00 -0.87 0.00 0.00 176.83 178.20 1rqr s ALA 208 N -3.91 -1.95 -0.23 5.18 0.00 -1.13 -4.79 121.76 114.92 1rqr s ALA 208 Ca -0.04 1.68 -0.19 0.00 0.00 0.00 0.00 51.96 53.42 1rqr s ALA 208 Cb 0.13 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 1rqr s ALA 208 CO 0.77 -0.28 0.55 0.42 0.00 0.00 0.00 175.76 177.23 1rqr s ILE 209 N -0.67 5.06 -1.18 0.00 -1.09 -1.26 -1.16 121.20 120.90 1rqr s ILE 209 Ca 0.00 0.99 -0.18 0.00 -2.23 0.00 0.00 60.65 59.22 1rqr s ILE 209 Cb -0.02 -3.87 0.09 0.00 -1.58 0.00 0.00 42.46 37.09 1rqr s ILE 209 CO -0.01 0.10 1.54 -0.62 -1.23 0.00 0.00 174.94 174.72 1rqr s ASP 210 N 1.38 6.79 0.52 3.58 2.15 0.05 -4.95 116.67 126.19 1rqr s ASP 210 Ca 0.24 -2.30 -0.21 0.00 0.43 0.00 0.00 52.55 50.71 1rqr s ASP 210 Cb -0.16 -2.52 -0.06 0.00 -0.30 0.00 0.00 42.92 39.89 1rqr s ASP 210 CO 0.09 -1.14 1.18 -1.00 -0.17 0.00 0.00 175.17 174.12 1rqr s HIS 211 N 3.66 2.67 -1.37 -5.34 3.76 -1.26 -2.00 115.29 115.41 1rqr s HIS 211 Ca 0.47 1.52 0.15 0.00 -0.15 0.00 0.00 55.06 57.06 1rqr s HIS 211 Cb 0.01 -3.40 0.56 0.00 1.11 0.00 0.00 32.58 30.86 1rqr s HIS 211 CO 0.00 -1.77 1.45 -0.35 -0.85 0.00 0.00 174.74 173.22 1rqr n PRO 212 N -1.02 3.03 0.14 8.40 -0.04 -1.26 -4.89 135.00 139.35 1rqr n PRO 212 Ca 0.10 -2.23 0.12 0.00 -0.04 0.00 0.00 63.50 61.45 1rqr n PRO 212 Cb 0.49 -1.71 0.10 0.00 -0.04 0.00 0.00 33.50 32.34 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 3.28 0.00 -0.48 0.54 0.04 -1.81 -3.48 116.94 115.03 1rqr h PHE 213 Ca 0.00 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.60 1rqr h PHE 213 Cb 1.13 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.22 1rqr h PHE 213 CO 0.58 0.00 -0.16 0.41 -0.60 0.00 0.00 178.31 178.53 1rqr n GLY 214 N 1.18 0.92 3.77 -1.45 0.00 -0.98 -4.12 105.19 104.52 1rqr n GLY 214 Ca 0.02 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.88 4.49 -0.16 1.61 0.01 -1.23 -0.79 114.94 115.99 1rqr s ASN 215 Ca 0.00 1.70 0.02 0.00 -0.71 0.00 0.00 52.86 53.87 1rqr s ASN 215 Cb 0.00 -2.43 0.01 0.00 0.41 0.00 0.00 41.25 39.25 1rqr s ASN 215 CO 0.00 -2.03 -0.21 -0.69 -1.51 0.00 0.00 177.10 172.66 1rqr s VAL 216 N -2.95 2.08 -0.10 1.60 1.01 0.22 -0.77 120.40 121.50 1rqr s VAL 216 Ca 0.61 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 1rqr s VAL 216 Cb -0.17 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 1rqr s VAL 216 CO 0.56 0.54 0.02 0.26 0.00 0.00 0.00 175.10 176.49 1rqr s TRP 217 N 1.05 3.22 0.35 5.22 0.51 -0.31 -0.54 118.94 128.45 1rqr s TRP 217 Ca -0.01 0.22 0.08 0.00 -2.12 0.00 0.00 56.10 54.27 1rqr s TRP 217 Cb -0.14 -1.83 -0.05 0.00 -0.81 0.00 0.00 33.47 30.64 1rqr s TRP 217 CO -0.07 0.47 0.11 0.95 -0.51 0.00 0.00 176.95 177.90 1rqr s THR 218 N -0.79 2.79 -1.88 2.01 -4.23 -0.52 -0.92 115.64 112.10 1rqr s THR 218 Ca 0.12 -1.78 0.08 0.00 -1.18 0.00 0.00 61.69 58.94 1rqr s THR 218 Cb -0.12 -2.93 0.25 0.00 1.34 0.00 0.00 72.50 71.05 1rqr s THR 218 CO 0.02 -0.16 1.18 -0.46 -0.54 0.00 0.00 174.62 174.67 1rqr n ASN 219 N -1.11 1.63 -4.54 3.99 6.94 -0.96 -4.47 115.26 116.74 1rqr n ASN 219 Ca -0.03 -2.03 -0.43 0.00 -0.02 0.00 0.00 54.58 52.07 1rqr n ASN 219 Cb 0.62 -0.22 -0.06 0.00 -2.36 0.00 0.00 39.78 37.75 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 -1.63 4.79 0.64 1.53 1.01 -1.26 -4.87 121.20 121.41 1rqr s ILE 220 Ca 0.19 0.32 -0.08 0.00 0.00 0.00 0.00 60.65 61.08 1rqr s ILE 220 Cb 0.10 -4.21 0.01 0.00 0.01 0.00 0.00 42.46 38.37 1rqr s ILE 220 CO 0.12 -0.56 0.99 -2.28 0.00 0.00 0.00 174.94 173.20 1rqr s HIS 221 N 2.93 3.28 0.29 3.97 2.46 -1.26 0.07 115.29 127.04 1rqr s HIS 221 Ca 0.25 0.82 0.04 0.00 0.47 0.00 0.00 55.06 56.64 1rqr s HIS 221 Cb -0.14 -2.88 0.69 0.00 -0.13 0.00 0.00 32.58 30.12 1rqr s HIS 221 CO 0.19 -0.98 1.75 -0.09 -2.47 0.00 0.00 174.74 173.14 1rqr h ARG 222 N -0.39 0.61 0.00 2.88 2.43 -1.51 -1.72 114.38 116.68 1rqr h ARG 222 Ca -0.45 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 58.64 1rqr h ARG 222 Cb 1.26 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 1rqr h ARG 222 CO 0.62 0.40 -0.21 1.79 -1.51 0.00 0.00 179.97 181.06 1rqr h THR 223 N 0.63 0.84 0.00 0.20 1.35 -1.87 -0.04 112.91 114.01 1rqr h THR 223 Ca 0.55 -0.83 -0.16 0.00 -0.55 0.00 0.00 66.41 65.42 1rqr h THR 223 Cb 0.90 1.49 -0.02 0.00 -1.73 0.00 0.00 68.15 68.79 1rqr h THR 223 CO -0.42 0.21 -0.78 0.44 -0.25 0.00 0.00 175.52 174.72 1rqr h ASP 224 N 0.00 0.00 -0.07 5.36 5.19 -1.70 -3.29 116.42 121.92 1rqr h ASP 224 Ca -0.00 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.21 1rqr h ASP 224 Cb 0.47 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.00 1rqr h ASP 224 CO 0.03 0.78 -0.73 -0.07 -3.12 0.00 0.00 179.24 176.12 1rqr h LEU 225 N 0.00 0.76 -9.67 1.55 3.38 -0.83 -3.16 115.31 107.33 1rqr h LEU 225 Ca -0.01 -0.69 -0.53 0.00 0.09 0.00 0.00 57.88 56.75 1rqr h LEU 225 Cb 1.42 -0.23 0.04 0.00 0.09 0.00 0.00 40.66 41.99 1rqr h LEU 225 CO 0.10 1.34 0.74 -1.61 0.09 0.00 0.00 178.44 179.10 1rqr s GLU 226 N -3.50 4.30 -1.36 1.13 2.02 -0.12 -1.36 118.70 119.82 1rqr s GLU 226 Ca -0.11 2.20 0.00 0.00 0.02 0.00 0.00 54.97 57.07 1rqr s GLU 226 Cb 0.06 -3.17 0.00 0.00 0.10 0.00 0.00 34.13 31.13 1rqr s GLU 226 CO 0.87 -0.40 0.00 1.63 0.02 0.00 0.00 175.26 177.38 1rqr n LYS 227 N 2.95 -1.98 0.00 1.61 4.76 -1.26 -4.61 118.16 119.62 1rqr n LYS 227 Ca 0.08 0.77 0.08 0.00 -2.87 0.00 0.00 58.31 56.37 1rqr n LYS 227 Cb 0.41 -5.38 0.06 0.00 -1.84 0.00 0.00 35.03 28.28 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 -2.00 2.60 -2.60 7.82 0.00 -0.86 -5.02 120.51 120.44 1rqr n ALA 228 Ca -0.18 -0.61 -0.03 0.00 0.00 0.00 0.00 53.44 52.61 1rqr n ALA 228 Cb 0.64 -0.56 0.01 0.00 0.00 0.00 0.00 19.45 19.53 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 0.97 0.75 2.82 0.00 0.00 -1.02 -5.05 105.19 103.67 1rqr n GLY 229 Ca 0.09 -0.56 -0.29 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 -3.04 0.94 0.00 -0.61 1.01 -0.46 -5.05 121.20 114.00 1rqr s ILE 230 Ca 0.07 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.91 1rqr s ILE 230 Cb -0.03 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 41.11 1rqr s ILE 230 CO 0.09 -0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.50 1rqr n GLY 231 N 4.90 7.19 0.22 6.18 0.00 -1.26 -4.10 105.19 118.32 1rqr n GLY 231 Ca -0.10 -2.02 0.11 0.00 0.00 0.00 0.00 46.02 44.01 1rqr n GLY 231 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1rqr h TYR 232 N 0.00 0.00 0.00 1.61 0.05 -2.00 -2.99 116.97 113.65 1rqr h TYR 232 Ca 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 1rqr h TYR 232 Cb 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 1rqr h TYR 232 CO 0.00 0.17 -0.24 0.78 -1.05 0.00 0.00 178.16 177.82 1rqr h GLY 233 N 2.80 0.00 -4.26 3.88 0.00 -1.98 -3.30 103.07 100.22 1rqr h GLY 233 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 1rqr h GLY 233 CO 0.02 0.00 0.76 0.00 0.00 0.00 0.00 176.54 177.32 1rqr s ALA 234 N -3.45 3.63 -0.20 3.60 0.00 -1.13 -4.49 121.76 119.73 1rqr s ALA 234 Ca 0.02 1.32 -0.23 0.00 0.00 0.00 0.00 51.96 53.07 1rqr s ALA 234 Cb 0.09 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 1rqr s ALA 234 CO 0.66 -0.74 0.73 1.03 0.00 0.00 0.00 175.76 177.45 1rqr s ARG 235 N -0.31 4.24 0.00 0.00 0.52 -1.26 -1.66 118.95 120.48 1rqr s ARG 235 Ca 0.60 0.81 0.07 0.00 -0.52 0.00 0.00 55.73 56.69 1rqr s ARG 235 Cb -0.42 -3.59 -0.02 0.00 0.52 0.00 0.00 34.95 31.44 1rqr s ARG 235 CO 0.43 -0.32 -0.22 -0.51 0.02 0.00 0.00 175.30 174.70 1rqr s LEU 236 N 2.16 2.08 -0.35 2.53 1.43 -0.42 -4.43 118.68 121.68 1rqr s LEU 236 Ca 0.33 -0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 52.94 1rqr s LEU 236 Cb -0.16 -1.11 0.06 0.00 0.03 0.00 0.00 46.19 45.02 1rqr s LEU 236 CO 0.11 0.24 0.11 -0.60 0.23 0.00 0.00 176.35 176.44 1rqr s ARG 237 N -0.74 2.43 -0.18 1.70 3.52 -0.15 -2.05 118.95 123.47 1rqr s ARG 237 Ca 0.09 -1.38 -0.12 0.00 -0.13 0.00 0.00 55.73 54.19 1rqr s ARG 237 Cb -0.09 -3.44 -0.05 0.00 -1.56 0.00 0.00 34.95 29.82 1rqr s ARG 237 CO 0.00 -0.78 0.21 -1.17 -0.81 0.00 0.00 175.30 172.75 1rqr s LEU 238 N 1.30 4.22 -0.07 -0.88 2.96 -0.23 -2.25 118.68 123.73 1rqr s LEU 238 Ca -0.00 0.36 0.03 0.00 -0.22 0.00 0.00 54.13 54.30 1rqr s LEU 238 Cb -0.21 -2.23 0.01 0.00 0.50 0.00 0.00 46.19 44.26 1rqr s LEU 238 CO -0.00 0.14 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.11 1rqr s THR 239 N 0.44 1.44 -0.01 3.68 2.01 -0.41 0.19 115.64 122.97 1rqr s THR 239 Ca 0.12 -0.67 0.06 0.00 0.31 0.00 0.00 61.69 61.51 1rqr s THR 239 Cb -0.12 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 1rqr s THR 239 CO 0.01 0.42 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.40 1rqr s LEU 240 N 0.46 2.42 -0.47 4.42 1.43 -0.32 -1.66 118.68 124.96 1rqr s LEU 240 Ca -0.14 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1rqr s LEU 240 Cb -0.16 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.62 1rqr s LEU 240 CO 0.05 0.31 0.00 -0.67 0.23 0.00 0.00 176.35 176.27 1rqr n ASP 241 N 2.17 -5.42 -1.53 2.29 2.03 -0.55 -2.14 116.55 113.39 1rqr n ASP 241 Ca -0.17 0.11 -0.15 0.00 0.52 0.00 0.00 54.79 55.11 1rqr n ASP 241 Cb 0.52 -3.31 -0.02 0.00 -0.72 0.00 0.00 41.12 37.58 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 0.07 0.24 2.02 0.27 0.00 -1.26 -4.84 105.19 101.68 1rqr n GLY 242 Ca -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1rqr n GLY 242 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rqr n VAL 243 N -3.62 0.00 -2.45 1.61 0.31 -0.91 -5.08 118.33 108.19 1rqr n VAL 243 Ca -0.17 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.73 1rqr n VAL 243 Cb 0.59 -0.23 -0.02 0.00 -0.91 0.00 0.00 33.84 33.27 1rqr n VAL 243 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1rqr s LEU 244 N -6.03 3.83 0.08 7.52 1.43 -0.96 -4.88 118.68 119.67 1rqr s LEU 244 Ca 0.00 1.09 -0.08 0.00 -1.03 0.00 0.00 54.13 54.11 1rqr s LEU 244 Cb 0.00 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.62 1rqr s LEU 244 CO 0.00 -1.12 0.37 -2.16 0.23 0.00 0.00 176.35 173.67 1rqr s PRO 245 N 4.23 3.69 0.00 1.29 0.04 -1.26 -1.17 135.00 141.82 1rqr s PRO 245 Ca 0.55 0.07 0.01 0.00 0.04 0.00 0.00 61.00 61.67 1rqr s PRO 245 Cb -0.15 -2.98 -0.01 0.00 0.04 0.00 0.00 34.50 31.41 1rqr s PRO 245 CO 0.24 0.55 -0.04 -0.06 0.04 0.00 0.00 177.00 177.73 1rqr s PHE 246 N -1.44 0.39 0.02 0.56 0.08 0.13 -4.99 117.98 112.74 1rqr s PHE 246 Ca 0.34 -0.11 0.05 0.00 0.12 0.00 0.00 56.93 57.33 1rqr s PHE 246 Cb -0.13 -0.25 -0.02 0.00 -0.57 0.00 0.00 43.02 42.05 1rqr s PHE 246 CO 0.19 -0.02 -0.16 -1.21 -0.10 0.00 0.00 175.22 173.92 1rqr s GLU 247 N -0.24 1.14 0.00 0.44 2.02 -1.26 -1.06 118.70 119.73 1rqr s GLU 247 Ca 0.00 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.25 1rqr s GLU 247 Cb -0.02 -1.16 0.00 0.00 0.10 0.00 0.00 34.13 33.05 1rqr s GLU 247 CO -0.00 0.30 0.00 0.00 0.02 0.00 0.00 175.26 175.58 1rqr n ALA 248 N 2.13 0.00 -1.37 5.21 0.00 -0.87 -4.93 120.51 120.68 1rqr n ALA 248 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.96 1rqr n ALA 248 Cb 0.54 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.07 1rqr n ALA 248 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1rqr s PRO 249 N -2.00 2.51 -0.17 0.00 0.04 -1.26 -1.31 135.00 132.82 1rqr s PRO 249 Ca 0.00 1.17 -0.29 0.00 0.04 0.00 0.00 61.00 61.92 1rqr s PRO 249 Cb 0.00 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.61 1rqr s PRO 249 CO 0.00 -1.45 0.99 -1.17 0.04 0.00 0.00 177.00 175.41 1rqr s LEU 250 N -5.62 4.18 0.22 -3.56 2.96 -0.67 -4.02 118.68 112.17 1rqr s LEU 250 Ca 0.62 1.41 0.09 0.00 -0.22 0.00 0.00 54.13 56.03 1rqr s LEU 250 Cb -0.17 -3.50 -0.05 0.00 0.50 0.00 0.00 46.19 42.97 1rqr s LEU 250 CO 0.53 -0.53 -0.16 0.42 -1.32 0.00 0.00 176.35 175.28 1rqr s THR 251 N 2.51 1.97 0.39 3.68 -4.23 -0.14 -4.32 115.64 115.49 1rqr s THR 251 Ca 0.45 -2.26 0.12 0.00 -1.18 0.00 0.00 61.69 58.83 1rqr s THR 251 Cb -0.17 -2.11 0.34 0.00 1.34 0.00 0.00 72.50 71.90 1rqr s THR 251 CO 0.12 -0.52 1.90 -0.65 -0.54 0.00 0.00 174.62 174.93 1rqr h PRO 252 N 2.51 0.54 0.00 3.99 0.11 -1.92 -3.34 132.00 133.89 1rqr h PRO 252 Ca -0.39 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.64 1rqr h PRO 252 Cb 1.23 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1rqr h PRO 252 CO 0.61 0.36 0.07 -2.37 -0.21 0.00 0.00 178.00 176.45 1rqr n THR 253 N -4.52 0.00 -0.02 -1.15 5.66 -1.26 -4.59 114.28 108.40 1rqr n THR 253 Ca 0.16 -0.53 -0.15 0.00 -3.05 0.00 0.00 64.05 60.47 1rqr n THR 253 Cb 0.49 0.45 -0.11 0.00 -1.55 0.00 0.00 70.33 69.61 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 1.44 0.31 0.00 1.09 0.04 -1.96 -3.29 116.94 114.57 1rqr h PHE 254 Ca -0.14 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.47 1rqr h PHE 254 Cb 0.54 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.65 1rqr h PHE 254 CO 0.00 0.95 0.00 0.00 -0.60 0.00 0.00 178.31 178.66 1rqr n ALA 255 N -2.53 1.63 0.31 2.45 0.00 -1.26 -2.17 120.51 118.94 1rqr n ALA 255 Ca -0.10 0.06 0.18 0.00 0.00 0.00 0.00 53.44 53.59 1rqr n ALA 255 Cb 0.51 -1.35 1.05 0.00 0.00 0.00 0.00 19.45 19.66 1rqr n ALA 255 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1rqr h ASP 256 N 0.00 0.00 0.00 0.00 3.32 -2.00 -2.75 116.42 114.99 1rqr h ASP 256 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1rqr h ASP 256 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1rqr h ASP 256 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1rqr n ALA 257 N -2.22 2.25 0.00 3.45 0.00 -0.92 -5.00 120.51 118.06 1rqr n ALA 257 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1rqr n ALA 257 Cb 0.08 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 0.27 1.18 3.75 0.00 0.00 -1.04 -4.75 105.19 104.59 1rqr n GLY 258 Ca 0.14 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 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 3.02 -0.03 1.61 2.02 -1.26 -4.89 118.70 119.17 1rqr s GLU 259 Ca 0.00 2.09 -0.38 0.00 0.02 0.00 0.00 54.97 56.70 1rqr s GLU 259 Cb 0.00 -2.11 -0.17 0.00 0.10 0.00 0.00 34.13 31.95 1rqr s GLU 259 CO 0.00 -1.24 1.42 -0.89 0.02 0.00 0.00 175.26 174.57 1rqr n ILE 260 N -1.29 0.08 0.00 -1.63 5.41 -1.26 -1.91 119.36 118.76 1rqr n ILE 260 Ca 0.12 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.86 1rqr n ILE 260 Cb 0.47 -0.84 0.00 0.00 -0.71 0.00 0.00 39.64 38.56 1rqr n ILE 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1rqr n GLY 261 N 2.88 2.59 3.81 7.39 0.00 0.05 -4.96 105.19 116.95 1rqr n GLY 261 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.37 5.04 -0.16 1.61 -0.87 -0.80 -4.52 114.94 113.87 1rqr s ASN 262 Ca 0.00 1.52 -0.28 0.00 -1.57 0.00 0.00 52.86 52.53 1rqr s ASN 262 Cb 0.00 -2.34 -0.01 0.00 -0.02 0.00 0.00 41.25 38.88 1rqr s ASN 262 CO 0.00 -1.65 0.94 -0.63 -2.57 0.00 0.00 177.10 173.19 1rqr s ILE 263 N -3.08 4.81 -0.13 0.60 -1.09 -1.26 -0.88 121.20 120.17 1rqr s ILE 263 Ca 0.59 1.86 -0.04 0.00 -2.23 0.00 0.00 60.65 60.83 1rqr s ILE 263 Cb -0.14 -4.24 -0.04 0.00 -1.58 0.00 0.00 42.46 36.47 1rqr s ILE 263 CO 0.55 -0.02 0.03 0.00 -1.23 0.00 0.00 174.94 174.27 1rqr s ALA 264 N 2.29 3.34 -0.17 9.38 0.00 -0.73 -4.74 121.76 131.13 1rqr s ALA 264 Ca 0.43 -0.77 -0.03 0.00 0.00 0.00 0.00 51.96 51.59 1rqr s ALA 264 Cb -0.17 -1.68 -0.02 0.00 0.00 0.00 0.00 23.12 21.25 1rqr s ALA 264 CO 0.13 0.40 -0.06 0.42 0.00 0.00 0.00 175.76 176.65 1rqr s ILE 265 N -0.29 3.53 0.25 0.00 1.01 -1.26 -1.17 121.20 123.27 1rqr s ILE 265 Ca 0.07 -0.47 -0.02 0.00 0.00 0.00 0.00 60.65 60.22 1rqr s ILE 265 Cb -0.12 -2.55 0.01 0.00 0.01 0.00 0.00 42.46 39.81 1rqr s ILE 265 CO 0.02 0.48 0.37 0.00 0.00 0.00 0.00 174.94 175.81 1rqr n TYR 266 N 3.91 -1.25 -4.15 3.97 0.18 -0.72 -0.97 117.16 118.14 1rqr n TYR 266 Ca -0.18 -1.62 -0.34 0.00 1.88 0.00 0.00 57.90 57.64 1rqr n TYR 266 Cb 0.52 0.42 -0.14 0.00 -0.38 0.00 0.00 39.34 39.76 1rqr n TYR 266 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1rqr s LEU 267 N 0.00 2.84 0.89 -3.48 1.43 -1.25 -0.97 118.68 118.14 1rqr s LEU 267 Ca 0.19 -0.37 -0.13 0.00 -1.03 0.00 0.00 54.13 52.80 1rqr s LEU 267 Cb -0.01 -1.70 0.13 0.00 0.03 0.00 0.00 46.19 44.64 1rqr s LEU 267 CO 0.14 0.04 1.16 0.54 0.23 0.00 0.00 176.35 178.45 1rqr s ASN 268 N 1.13 3.71 0.00 2.29 2.20 -0.93 -4.85 114.94 118.49 1rqr s ASN 268 Ca 0.01 0.87 0.01 0.00 -0.94 0.00 0.00 52.86 52.81 1rqr s ASN 268 Cb -0.14 -1.38 0.05 0.00 -2.00 0.00 0.00 41.25 37.78 1rqr s ASN 268 CO -0.01 -2.42 0.34 -1.54 -2.94 0.00 0.00 177.10 170.53 1rqr n SER 269 N -3.66 0.00 0.00 3.54 3.41 -1.26 -1.00 113.62 114.65 1rqr n SER 269 Ca 0.08 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 58.19 1rqr n SER 269 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 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 -0.56 1.65 0.00 4.33 5.12 -1.26 -3.67 116.66 122.27 1rqr n ARG 270 Ca 0.01 -0.30 0.00 0.00 -1.93 0.00 0.00 57.85 55.63 1rqr n ARG 270 Cb 0.00 -0.78 0.00 0.00 -1.16 0.00 0.00 32.46 30.52 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 0.32 0.76 3.61 -0.13 0.00 -0.17 -4.55 105.19 105.03 1rqr n GLY 271 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 2.97 0.21 1.61 2.02 -1.26 -1.18 117.35 119.72 1rqr s TYR 272 Ca 0.00 0.04 -0.32 0.00 -0.37 0.00 0.00 57.07 56.41 1rqr s TYR 272 Cb 0.00 -1.69 -0.14 0.00 -0.40 0.00 0.00 41.96 39.73 1rqr s TYR 272 CO 0.00 0.38 1.41 -0.11 -1.57 0.00 0.00 175.55 175.65 1rqr n LEU 273 N 1.93 2.83 -4.12 -1.29 7.94 0.11 -2.18 117.00 122.23 1rqr n LEU 273 Ca -0.17 1.13 -0.11 0.00 -1.11 0.00 0.00 56.01 55.75 1rqr n LEU 273 Cb 0.53 -1.39 -0.08 0.00 0.53 0.00 0.00 43.42 43.01 1rqr n LEU 273 CO 0.29 -0.58 -0.08 -0.44 -1.11 0.00 0.00 177.39 175.47 1rqr s SER 274 N 0.39 0.06 -0.01 1.96 0.01 -0.14 -1.44 113.70 114.53 1rqr s SER 274 Ca 0.72 -1.21 -0.06 0.00 1.31 0.00 0.00 55.95 56.72 1rqr s SER 274 Cb -0.70 0.46 0.00 0.00 0.21 0.00 0.00 66.02 65.99 1rqr s SER 274 CO 0.47 -0.95 0.12 -0.51 0.41 0.00 0.00 173.24 172.78 1rqr s ILE 275 N -4.10 0.06 0.35 1.44 2.07 0.29 -1.75 121.20 119.56 1rqr s ILE 275 Ca 0.32 -0.50 -0.10 0.00 -1.41 0.00 0.00 60.65 58.96 1rqr s ILE 275 Cb 0.04 -0.34 0.02 0.00 0.13 0.00 0.00 42.46 42.32 1rqr s ILE 275 CO 0.10 -0.27 0.62 0.00 -1.91 0.00 0.00 174.94 173.48 1rqr s ALA 276 N -0.93 -0.08 0.11 1.50 0.00 -0.32 -0.61 121.76 121.44 1rqr s ALA 276 Ca -0.10 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 50.84 1rqr s ALA 276 Cb -0.06 0.93 -0.04 0.00 0.00 0.00 0.00 23.12 23.95 1rqr s ALA 276 CO 0.01 -0.89 0.04 1.03 0.00 0.00 0.00 175.76 175.94 1rqr s ARG 277 N -2.89 2.65 -0.08 0.00 0.52 -1.25 -1.78 118.95 116.11 1rqr s ARG 277 Ca 0.22 -0.84 -0.30 0.00 -0.52 0.00 0.00 55.73 54.30 1rqr s ARG 277 Cb -0.03 -2.58 -0.03 0.00 0.52 0.00 0.00 34.95 32.84 1rqr s ARG 277 CO 0.15 0.53 1.19 1.21 0.02 0.00 0.00 175.30 178.40 1rqr s ASN 278 N -2.50 7.05 -1.47 0.23 2.47 -0.06 -3.52 114.94 117.14 1rqr s ASN 278 Ca 0.27 1.76 -0.13 0.00 0.42 0.00 0.00 52.86 55.19 1rqr s ASN 278 Cb -0.11 -2.55 0.13 0.00 -1.45 0.00 0.00 41.25 37.26 1rqr s ASN 278 CO 0.20 -0.60 0.32 0.00 -3.72 0.00 0.00 177.10 173.29 1rqr n ALA 279 N 5.45 -1.31 -3.33 1.71 0.00 -1.26 -0.77 120.51 120.99 1rqr n ALA 279 Ca 0.11 -0.24 -0.14 0.00 0.00 0.00 0.00 53.44 53.17 1rqr n ALA 279 Cb 0.46 -1.57 -0.05 0.00 0.00 0.00 0.00 19.45 18.28 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 -3.34 -1.36 0.13 0.00 0.00 -1.23 -4.71 121.76 111.25 1rqr s ALA 280 Ca 0.44 0.67 -0.30 0.00 0.00 0.00 0.00 51.96 52.77 1rqr s ALA 280 Cb -0.26 0.34 -0.06 0.00 0.00 0.00 0.00 23.12 23.13 1rqr s ALA 280 CO 0.85 -0.48 0.98 0.45 0.00 0.00 0.00 175.76 177.55 1rqr s SER 281 N -1.87 7.48 -0.23 0.00 0.15 -1.26 -3.86 113.70 114.11 1rqr s SER 281 Ca -0.06 1.85 0.02 0.00 0.70 0.00 0.00 55.95 58.46 1rqr s SER 281 Cb -0.01 -2.59 -0.15 0.00 -1.71 0.00 0.00 66.02 61.56 1rqr s SER 281 CO -0.00 -0.07 -0.20 -0.11 1.20 0.00 0.00 173.24 174.06 1rqr n LEU 282 N 2.62 2.92 0.02 3.45 7.94 -1.18 -4.66 117.00 128.11 1rqr n LEU 282 Ca 0.02 -0.12 -0.13 0.00 -1.11 0.00 0.00 56.01 54.66 1rqr n LEU 282 Cb 0.49 -0.79 -0.02 0.00 0.53 0.00 0.00 43.42 43.63 1rqr n LEU 282 CO 0.51 0.88 0.31 0.00 -1.11 0.00 0.00 177.39 177.98 1rqr h ALA 283 N 0.02 0.46 -0.04 1.96 0.00 -1.27 -3.33 119.26 117.05 1rqr h ALA 283 Ca -0.52 -0.61 -0.23 0.00 0.00 0.00 0.00 54.91 53.56 1rqr h ALA 283 Cb 1.81 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.58 1rqr h ALA 283 CO -0.08 0.73 -0.87 1.88 0.00 0.00 0.00 179.25 180.92 1rqr h TYR 284 N 0.39 0.96 -0.38 0.00 0.05 -1.83 0.24 116.97 116.40 1rqr h TYR 284 Ca -0.04 -0.49 -0.04 0.00 0.05 0.00 0.00 58.73 58.20 1rqr h TYR 284 Cb 1.36 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.96 1rqr h TYR 284 CO 0.06 1.32 0.05 -1.35 -1.05 0.00 0.00 178.16 177.19 1rqr h PRO 285 N 0.33 0.58 -0.54 4.88 0.11 -1.83 -2.83 132.00 132.70 1rqr h PRO 285 Ca -0.10 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1rqr h PRO 285 Cb 1.52 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.54 1rqr h PRO 285 CO 0.17 0.57 0.00 0.66 -0.21 0.00 0.00 178.00 179.19 1rqr n TYR 286 N -4.30 0.71 -3.99 0.65 4.01 -1.21 -4.97 117.16 108.06 1rqr n TYR 286 Ca 0.02 -0.39 -0.28 0.00 -0.16 0.00 0.00 57.90 57.09 1rqr n TYR 286 Cb 0.22 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.24 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 1.44 -1.78 -2.18 -0.72 8.25 0.57 -4.93 115.22 115.87 1rqr n HIS 287 Ca 0.21 0.79 -0.33 0.00 -0.26 0.00 0.00 57.72 58.13 1rqr n HIS 287 Cb 0.59 -3.64 -0.00 0.00 1.12 0.00 0.00 29.99 28.05 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 -7.06 3.56 -0.02 2.41 1.43 0.32 -5.02 118.68 114.31 1rqr s LEU 288 Ca 0.27 1.77 -0.05 0.00 -1.03 0.00 0.00 54.13 55.09 1rqr s LEU 288 Cb -0.14 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.55 1rqr s LEU 288 CO 0.88 -0.99 0.11 -0.54 0.23 0.00 0.00 176.35 176.04 1rqr s LYS 289 N -3.99 0.29 0.14 1.70 -0.14 -1.26 -4.85 119.74 111.63 1rqr s LYS 289 Ca 0.63 -0.14 -0.24 0.00 -1.36 0.00 0.00 55.97 54.86 1rqr s LYS 289 Cb -0.15 0.12 -0.14 0.00 -1.68 0.00 0.00 37.83 35.99 1rqr s LYS 289 CO 0.34 -0.06 0.48 0.39 -0.76 0.00 0.00 175.35 175.74 1rqr n GLU 290 N 2.26 0.00 -0.63 1.68 1.02 -1.26 -4.80 120.64 118.92 1rqr n GLU 290 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1rqr n GLU 290 Cb 0.57 -0.86 0.00 0.00 -0.02 0.00 0.00 31.44 31.13 1rqr n GLU 290 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rqr n GLY 291 N 1.57 0.24 3.93 0.62 0.00 -0.72 -4.99 105.19 105.85 1rqr n GLY 291 Ca 0.15 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.26 6.36 -0.24 1.61 1.04 -1.26 -4.75 113.70 115.20 1rqr s SER 293 Ca 0.00 0.27 -0.04 0.00 0.48 0.00 0.00 55.95 56.66 1rqr s SER 293 Cb 0.00 -1.95 0.09 0.00 0.10 0.00 0.00 66.02 64.26 1rqr s SER 293 CO 0.00 0.06 0.17 0.00 0.98 0.00 0.00 173.24 174.45 1rqr s ALA 294 N -1.70 0.20 0.02 5.32 0.00 -0.25 -1.49 121.76 123.86 1rqr s ALA 294 Ca 0.36 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.87 1rqr s ALA 294 Cb -0.12 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 1rqr s ALA 294 CO 0.28 -1.44 0.01 0.50 0.00 0.00 0.00 175.76 175.11 1rqr s ARG 295 N 2.20 2.76 -0.09 0.00 3.52 -0.66 -1.18 118.95 125.50 1rqr s ARG 295 Ca 0.07 -0.66 -0.04 0.00 -0.13 0.00 0.00 55.73 54.97 1rqr s ARG 295 Cb -0.16 -2.65 0.05 0.00 -1.56 0.00 0.00 34.95 30.63 1rqr s ARG 295 CO -0.24 0.60 0.19 0.54 -0.81 0.00 0.00 175.30 175.58 1rqr s VAL 296 N -1.16 -0.15 0.28 7.11 0.11 -0.36 -1.29 120.40 124.93 1rqr s VAL 296 Ca 0.22 0.23 0.04 0.00 -2.93 0.00 0.00 61.98 59.54 1rqr s VAL 296 Cb -0.12 -0.31 -0.06 0.00 -1.53 0.00 0.00 36.38 34.36 1rqr s VAL 296 CO 0.13 0.10 0.01 -1.83 -3.33 0.00 0.00 175.10 170.18 1rqr s GLU 297 N 1.66 1.51 0.00 1.54 -1.05 -0.96 -1.03 118.70 120.38 1rqr s GLU 297 Ca -0.05 -1.80 0.26 0.00 -0.15 0.00 0.00 54.97 53.24 1rqr s GLU 297 Cb -0.11 -0.84 0.70 0.00 -0.44 0.00 0.00 34.13 33.43 1rqr s GLU 297 CO -0.07 -0.10 1.55 0.00 0.95 0.00 0.00 175.26 177.59