#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rqi n MET 22 N 0.00 4.54 -1.78 0.00 1.56 -1.26 -4.92 117.12 115.26 1rqi n MET 22 Ca 0.00 -0.01 -0.01 0.00 -0.27 0.00 0.00 57.70 57.41 1rqi n MET 22 Cb 0.00 -0.76 0.00 0.00 2.15 0.00 0.00 33.22 34.61 1rqi n MET 22 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 1rqi n ASP 23 N -1.21 -3.30 -0.05 6.12 -0.08 -1.26 -4.89 116.55 111.88 1rqi n ASP 23 Ca 0.00 0.21 -0.13 0.00 -1.51 0.00 0.00 54.79 53.37 1rqi n ASP 23 Cb 0.06 -1.95 -0.07 0.00 2.34 0.00 0.00 41.12 41.50 1rqi n ASP 23 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1rqi h PHE 24 N 0.55 0.37 -0.95 -0.67 3.57 -2.00 -3.23 116.94 114.57 1rqi h PHE 24 Ca 0.00 -0.10 0.21 0.00 3.53 0.00 0.00 57.97 61.61 1rqi h PHE 24 Cb 0.11 -0.08 -0.08 0.00 2.79 0.00 0.00 35.95 38.69 1rqi h PHE 24 CO 0.01 0.68 0.61 -1.00 -2.23 0.00 0.00 178.31 176.39 1rqi h PRO 25 N -0.05 0.49 0.00 6.41 0.13 -2.00 -1.46 132.00 135.52 1rqi h PRO 25 Ca 0.03 -0.03 -0.19 0.00 -0.87 0.00 0.00 66.00 64.94 1rqi h PRO 25 Cb 0.60 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.60 1rqi h PRO 25 CO 0.03 0.33 -0.91 -0.56 -0.23 0.00 0.00 178.00 176.66 1rqi h GLN 26 N 0.51 0.01 -0.38 0.86 -0.00 -1.94 -2.83 115.11 111.33 1rqi h GLN 26 Ca 0.51 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 59.13 1rqi h GLN 26 Cb 1.13 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.60 1rqi h GLN 26 CO -0.24 0.91 0.14 1.96 -0.00 0.00 0.00 178.83 181.60 1rqi h GLN 27 N 0.00 0.57 -0.54 0.06 1.08 -1.33 -1.12 115.11 113.84 1rqi h GLN 27 Ca -0.01 -0.11 0.07 0.00 -1.45 0.00 0.00 58.65 57.15 1rqi h GLN 27 Cb 1.60 -0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 28.88 1rqi h GLN 27 CO 0.12 0.55 0.21 -0.07 -0.95 0.00 0.00 178.83 178.70 1rqi h LEU 28 N 0.47 0.24 -0.46 1.46 3.38 -1.31 -0.53 115.31 118.56 1rqi h LEU 28 Ca 0.13 0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.98 1rqi h LEU 28 Cb 0.20 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1rqi h LEU 28 CO -0.01 0.16 -0.56 -0.08 0.09 0.00 0.00 178.44 178.04 1rqi h GLU 29 N 0.41 0.63 -0.46 1.13 4.57 -1.34 -1.98 114.58 117.54 1rqi h GLU 29 Ca 0.26 -0.40 -0.04 0.00 -1.18 0.00 0.00 59.36 58.00 1rqi h GLU 29 Cb 0.26 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 1rqi h GLU 29 CO -0.24 1.02 0.13 0.00 -1.18 0.00 0.00 179.01 178.74 1rqi h ALA 30 N 0.90 1.36 -0.40 2.92 0.00 -0.94 -1.60 119.26 121.51 1rqi h ALA 30 Ca 0.01 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1rqi h ALA 30 Cb 1.12 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1rqi h ALA 30 CO 0.11 0.46 -0.31 0.00 0.00 0.00 0.00 179.25 179.51 1rqi h VAL 32 N 0.74 1.08 -0.86 0.00 2.07 -1.02 -0.26 116.25 118.01 1rqi h VAL 32 Ca 0.08 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.41 1rqi h VAL 32 Cb 0.88 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1rqi h VAL 32 CO 0.08 0.08 0.57 0.11 0.02 0.00 0.00 177.57 178.43 1rqi h LYS 33 N 0.25 1.11 -0.04 1.57 1.57 -1.26 -0.47 116.57 119.29 1rqi h LYS 33 Ca 0.07 -0.07 -0.23 0.00 -1.87 0.00 0.00 60.65 58.56 1rqi h LYS 33 Cb 0.02 -0.25 0.02 0.00 0.08 0.00 0.00 32.23 32.10 1rqi h LYS 33 CO -0.01 0.74 -0.86 0.37 -0.57 0.00 0.00 179.45 179.11 1rqi h GLN 34 N 1.14 0.66 -0.24 3.15 5.75 -1.11 -2.39 115.11 122.08 1rqi h GLN 34 Ca 0.32 -0.65 -0.10 0.00 -0.15 0.00 0.00 58.65 58.06 1rqi h GLN 34 Cb -0.11 0.17 -0.00 0.00 1.07 0.00 0.00 27.48 28.61 1rqi h GLN 34 CO -0.07 1.25 -0.26 0.00 -2.65 0.00 0.00 178.83 177.10 1rqi h ALA 35 N 0.42 0.35 -0.71 3.38 0.00 -0.90 -1.25 119.26 120.55 1rqi h ALA 35 Ca -0.10 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.46 1rqi h ALA 35 Cb 1.52 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 1rqi h ALA 35 CO 0.17 0.34 0.44 -0.91 0.00 0.00 0.00 179.25 179.29 1rqi h ASN 36 N 0.30 0.71 -0.89 0.00 2.35 -1.17 0.10 115.58 116.98 1rqi h ASN 36 Ca 0.04 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.83 1rqi h ASN 36 Cb 0.82 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.99 1rqi h ASN 36 CO 0.06 0.49 0.57 -0.61 -1.65 0.00 0.00 177.43 176.29 1rqi h GLN 37 N 0.85 1.06 0.24 0.81 4.15 -1.29 0.09 115.11 121.03 1rqi h GLN 37 Ca 0.29 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.63 1rqi h GLN 37 Cb 0.05 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.50 1rqi h GLN 37 CO -0.12 0.70 -0.12 0.00 -1.93 0.00 0.00 178.83 177.37 1rqi h ALA 38 N 1.38 -0.32 -0.58 3.38 0.00 -0.50 -3.13 119.26 119.49 1rqi h ALA 38 Ca 0.36 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.19 1rqi h ALA 38 Cb 0.05 0.13 -0.11 0.00 0.00 0.00 0.00 17.79 17.85 1rqi h ALA 38 CO -0.13 -0.45 -0.16 -0.07 0.00 0.00 0.00 179.25 178.44 1rqi h LEU 39 N -0.79 -0.59 -1.53 0.00 3.38 -0.81 -2.63 115.31 112.33 1rqi h LEU 39 Ca -0.03 0.18 0.09 0.00 0.09 0.00 0.00 57.88 58.20 1rqi h LEU 39 Cb 0.51 0.38 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 1rqi h LEU 39 CO 0.05 -0.20 0.43 0.28 0.09 0.00 0.00 178.44 179.09 1rqi h SER 40 N -0.02 0.48 0.45 -0.43 0.02 -0.92 -1.47 113.55 111.66 1rqi h SER 40 Ca 0.28 0.01 -0.30 0.00 -0.84 0.00 0.00 61.79 60.94 1rqi h SER 40 Cb 0.44 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 1rqi h SER 40 CO -0.61 0.29 -1.73 0.03 -1.14 0.00 0.00 176.83 173.68 1rqi h ARG 41 N 0.54 0.04 0.00 3.45 3.08 -1.51 -1.14 114.38 118.84 1rqi h ARG 41 Ca 0.30 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1rqi h ARG 41 Cb 0.45 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1rqi h ARG 41 CO -0.09 0.60 -1.03 1.19 -1.07 0.00 0.00 179.97 179.57 1rqi n PHE 42 N -3.11 0.73 -0.01 3.04 0.99 -0.75 -4.24 117.46 114.09 1rqi n PHE 42 Ca -0.19 0.21 -0.07 0.00 -0.00 0.00 0.00 57.45 57.41 1rqi n PHE 42 Cb 1.05 -0.80 -0.13 0.00 -1.00 0.00 0.00 39.48 38.60 1rqi n PHE 42 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 1rqi n ILE 43 N -2.45 1.50 -0.22 4.37 5.41 -0.63 -4.48 119.36 122.85 1rqi n ILE 43 Ca 0.00 -0.77 -0.06 0.00 1.00 0.00 0.00 62.75 62.92 1rqi n ILE 43 Cb 0.52 -0.94 0.04 0.00 -0.71 0.00 0.00 39.64 38.55 1rqi n ILE 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1rqi h ALA 44 N 1.10 0.79 0.00 -1.39 0.00 -1.39 -2.40 119.26 115.96 1rqi h ALA 44 Ca -0.27 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1rqi h ALA 44 Cb 1.93 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1rqi h ALA 44 CO 0.07 0.25 0.00 -2.30 0.00 0.00 0.00 179.25 177.27 1rqi n PRO 45 N -4.62 0.14 -2.07 0.00 -0.02 -1.26 -4.80 135.00 122.37 1rqi n PRO 45 Ca 0.04 0.41 -0.38 0.00 -2.02 0.00 0.00 63.50 61.56 1rqi n PRO 45 Cb 0.05 -1.79 0.01 0.00 -0.02 0.00 0.00 33.50 31.74 1rqi n PRO 45 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1rqi s LEU 46 N -4.12 4.00 0.91 2.45 1.43 -0.91 -5.03 118.68 117.41 1rqi s LEU 46 Ca 0.04 2.51 -0.13 0.00 -1.03 0.00 0.00 54.13 55.52 1rqi s LEU 46 Cb 0.09 -4.19 0.14 0.00 0.03 0.00 0.00 46.19 42.25 1rqi s LEU 46 CO 0.33 -1.11 1.15 -2.16 0.23 0.00 0.00 176.35 174.79 1rqi s PRO 47 N -2.68 1.15 -0.99 1.29 0.04 -1.26 -4.41 135.00 128.13 1rqi s PRO 47 Ca 0.65 0.21 -0.03 0.00 0.04 0.00 0.00 61.00 61.87 1rqi s PRO 47 Cb -0.34 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1rqi s PRO 47 CO 0.41 -2.18 0.46 1.19 0.04 0.00 0.00 177.00 176.93 1rqi n PHE 48 N -3.74 -1.38 -2.05 0.56 3.72 -1.26 -4.98 117.46 108.33 1rqi n PHE 48 Ca 0.07 0.40 -0.37 0.00 -0.05 0.00 0.00 57.45 57.50 1rqi n PHE 48 Cb 0.60 -3.34 0.02 0.00 -0.94 0.00 0.00 39.48 35.81 1rqi n PHE 48 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1rqi s GLN 49 N -5.38 3.37 -1.48 -1.08 -1.52 -1.26 -2.65 119.66 109.65 1rqi s GLN 49 Ca 0.23 1.93 -0.11 0.00 -1.95 0.00 0.00 55.36 55.46 1rqi s GLN 49 Cb -0.10 -2.24 0.07 0.00 -0.22 0.00 0.00 33.01 30.52 1rqi s GLN 49 CO 0.28 -0.91 0.94 0.09 -0.25 0.00 0.00 175.29 175.44 1rqi n ASN 50 N -0.94 -4.18 -4.38 5.90 3.02 -1.26 -5.02 115.26 108.39 1rqi n ASN 50 Ca 0.10 -0.78 -0.25 0.00 -0.03 0.00 0.00 54.58 53.62 1rqi n ASN 50 Cb 0.48 -3.97 -0.12 0.00 -0.61 0.00 0.00 39.78 35.56 1rqi n ASN 50 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1rqi s THR 51 N -3.38 2.13 0.32 3.41 -4.23 -1.09 -5.01 115.64 107.81 1rqi s THR 51 Ca 0.53 -1.93 0.08 0.00 -1.18 0.00 0.00 61.69 59.19 1rqi s THR 51 Cb -0.26 -1.98 0.36 0.00 1.34 0.00 0.00 72.50 71.95 1rqi s THR 51 CO 0.82 -0.15 1.60 -0.65 -0.54 0.00 0.00 174.62 175.70 1rqi h PRO 52 N 3.35 0.09 -0.14 3.99 0.11 -1.95 -1.13 132.00 136.31 1rqi h PRO 52 Ca -0.45 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.44 1rqi h PRO 52 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1rqi h PRO 52 CO 0.47 0.06 -0.75 0.28 -0.21 0.00 0.00 178.00 177.86 1rqi h VAL 53 N 0.09 1.31 0.01 3.15 2.07 -1.90 -0.66 116.25 120.32 1rqi h VAL 53 Ca 0.67 -2.00 -0.21 0.00 0.82 0.00 0.00 66.70 65.98 1rqi h VAL 53 Cb 1.52 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 33.28 1rqi h VAL 53 CO -0.78 0.63 -0.93 0.58 0.02 0.00 0.00 177.57 177.09 1rqi h VAL 54 N 0.47 1.48 -0.57 2.57 2.07 -1.69 -1.83 116.25 118.75 1rqi h VAL 54 Ca -0.04 -2.64 0.02 0.00 0.82 0.00 0.00 66.70 64.86 1rqi h VAL 54 Cb 1.35 2.50 -0.03 0.00 -1.52 0.00 0.00 31.29 33.60 1rqi h VAL 54 CO 0.15 0.77 0.38 -0.33 0.02 0.00 0.00 177.57 178.55 1rqi h GLU 55 N 0.13 0.70 -0.15 1.57 5.08 -1.14 -1.16 114.58 119.61 1rqi h GLU 55 Ca -0.06 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.08 1rqi h GLU 55 Cb 1.57 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.66 1rqi h GLU 55 CO 0.15 0.47 -0.64 1.15 -1.00 0.00 0.00 179.01 179.13 1rqi h THR 56 N 0.72 1.33 -0.17 1.13 2.02 -0.78 -0.92 112.91 116.24 1rqi h THR 56 Ca 0.22 -1.92 -0.07 0.00 0.77 0.00 0.00 66.41 65.41 1rqi h THR 56 Cb -0.02 1.90 -0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1rqi h THR 56 CO -0.05 0.60 -0.15 0.24 0.37 0.00 0.00 175.52 176.53 1rqi h MET 57 N 0.42 0.41 -0.91 6.66 2.86 -1.05 -1.37 114.93 121.94 1rqi h MET 57 Ca -0.01 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 1rqi h MET 57 Cb 1.21 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.83 1rqi h MET 57 CO 0.12 0.76 0.55 1.96 1.06 0.00 0.00 176.91 181.35 1rqi h GLN 58 N 0.06 1.24 0.28 1.72 4.20 -1.21 0.25 115.11 121.66 1rqi h GLN 58 Ca 0.03 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1rqi h GLN 58 Cb 0.67 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1rqi h GLN 58 CO 0.04 0.87 -0.14 -0.92 -0.67 0.00 0.00 178.83 178.01 1rqi h TYR 59 N 1.26 -0.35 0.00 2.96 3.20 -1.14 -1.62 116.97 121.28 1rqi h TYR 59 Ca 0.33 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.15 1rqi h TYR 59 Cb -0.05 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 1rqi h TYR 59 CO 0.01 -0.02 -0.18 0.78 -1.64 0.00 0.00 178.16 177.11 1rqi h GLY 60 N -0.73 0.00 0.63 1.82 0.00 -1.15 -2.67 103.07 100.97 1rqi h GLY 60 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.94 1rqi h GLY 60 CO 0.06 0.00 -1.98 0.00 0.00 0.00 0.00 176.54 174.62 1rqi n ALA 61 N -2.46 1.09 -0.07 3.60 0.00 0.86 -4.73 120.51 118.81 1rqi n ALA 61 Ca -0.02 -0.70 -0.08 0.00 0.00 0.00 0.00 53.44 52.64 1rqi n ALA 61 Cb 0.25 -0.66 -0.09 0.00 0.00 0.00 0.00 19.45 18.95 1rqi n ALA 61 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1rqi n LEU 62 N -3.34 0.95 -4.54 0.00 4.77 -0.61 -4.89 117.00 109.34 1rqi n LEU 62 Ca -0.29 -0.03 -0.41 0.00 -0.03 0.00 0.00 56.01 55.25 1rqi n LEU 62 Cb 1.05 0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 42.14 1rqi n LEU 62 CO 0.42 0.45 1.25 -0.22 -1.33 0.00 0.00 177.39 177.96 1rqi s LEU 63 N -5.23 3.44 0.00 2.23 2.96 -1.01 -4.82 118.68 116.25 1rqi s LEU 63 Ca -0.11 -0.92 0.00 0.00 -0.22 0.00 0.00 54.13 52.88 1rqi s LEU 63 Cb 0.04 -2.55 0.00 0.00 0.50 0.00 0.00 46.19 44.18 1rqi s LEU 63 CO 0.46 -1.66 0.00 0.61 -1.32 0.00 0.00 176.35 174.44 1rqi n GLY 64 N 5.94 -2.40 0.00 7.98 0.00 -1.26 -4.91 105.19 110.54 1rqi n GLY 64 Ca 0.14 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1rqi n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rqi n GLY 65 N -0.60 2.12 0.10 -0.02 0.00 -1.26 -4.91 105.19 100.62 1rqi n GLY 65 Ca 0.00 -1.72 0.12 0.00 0.00 0.00 0.00 46.02 44.42 1rqi n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rqi h LYS 66 N 0.00 0.00 -6.19 1.61 1.57 -2.00 -3.48 116.57 108.08 1rqi h LYS 66 Ca 0.00 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.34 1rqi h LYS 66 Cb 0.00 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.33 1rqi h LYS 66 CO 0.00 0.00 -0.80 0.54 -0.57 0.00 0.00 179.45 178.62 1rqi n ARG 67 N -2.40 -5.15 0.08 3.15 5.12 -1.26 -4.71 116.66 111.50 1rqi n ARG 67 Ca 0.02 0.61 -0.08 0.00 -1.93 0.00 0.00 57.85 56.47 1rqi n ARG 67 Cb 0.48 -5.29 0.03 0.00 -1.16 0.00 0.00 32.46 26.52 1rqi n ARG 67 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1rqi h LEU 68 N -1.97 0.29 -0.17 0.55 3.38 -1.98 -1.86 115.31 113.55 1rqi h LEU 68 Ca -0.60 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.12 1rqi h LEU 68 Cb 1.37 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1rqi h LEU 68 CO 0.61 0.97 -0.05 0.03 0.09 0.00 0.00 178.44 180.09 1rqi h ARG 69 N 0.15 0.34 -0.92 1.13 3.08 -1.97 0.24 114.38 116.43 1rqi h ARG 69 Ca -0.03 -0.13 0.09 0.00 0.07 0.00 0.00 59.98 59.97 1rqi h ARG 69 Cb 1.38 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 31.34 1rqi h ARG 69 CO 0.12 0.61 0.59 -1.35 -1.07 0.00 0.00 179.97 178.88 1rqi h PRO 70 N 0.04 0.93 -0.37 0.04 0.11 -1.79 -1.49 132.00 129.47 1rqi h PRO 70 Ca 0.04 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 66.14 1rqi h PRO 70 Cb 0.49 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 31.36 1rqi h PRO 70 CO 0.02 0.62 0.13 0.35 -0.21 0.00 0.00 178.00 178.91 1rqi h PHE 71 N 0.96 0.24 -0.71 0.65 3.04 -0.82 0.23 116.94 120.52 1rqi h PHE 71 Ca 0.42 0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.45 1rqi h PHE 71 Cb 0.35 -0.05 -0.06 0.00 2.56 0.00 0.00 35.95 38.76 1rqi h PHE 71 CO -0.00 0.10 0.41 -0.07 -2.02 0.00 0.00 178.31 176.73 1rqi h LEU 72 N 0.29 0.62 0.30 0.59 3.38 -0.39 0.12 115.31 120.21 1rqi h LEU 72 Ca 0.17 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1rqi h LEU 72 Cb 0.14 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1rqi h LEU 72 CO -0.17 0.40 -0.14 0.58 0.09 0.00 0.00 178.44 179.20 1rqi h VAL 73 N 0.75 0.73 -0.40 1.22 2.07 -0.62 -1.54 116.25 118.46 1rqi h VAL 73 Ca 0.32 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.55 1rqi h VAL 73 Cb 0.18 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1rqi h VAL 73 CO -0.18 0.06 0.23 1.88 0.02 0.00 0.00 177.57 179.59 1rqi h TYR 74 N -0.56 0.44 -0.52 1.57 0.05 -0.74 -1.24 116.97 115.96 1rqi h TYR 74 Ca -0.04 0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.66 1rqi h TYR 74 Cb 0.41 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 1rqi h TYR 74 CO -0.01 0.25 -0.06 0.00 -1.05 0.00 0.00 178.16 177.29 1rqi h ALA 75 N 1.18 0.92 -0.16 3.88 0.00 -0.71 -0.39 119.26 123.98 1rqi h ALA 75 Ca 0.16 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1rqi h ALA 75 Cb 0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1rqi h ALA 75 CO -0.08 0.63 -0.17 1.15 0.00 0.00 0.00 179.25 180.78 1rqi h THR 76 N 0.84 1.34 -0.46 0.00 2.02 -1.03 -2.75 112.91 112.88 1rqi h THR 76 Ca 0.15 -1.34 -0.09 0.00 0.77 0.00 0.00 66.41 65.90 1rqi h THR 76 Cb 0.58 1.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.82 1rqi h THR 76 CO 0.03 0.40 -0.06 1.23 0.37 0.00 0.00 175.52 177.49 1rqi h GLY 77 N 0.04 0.87 1.56 2.16 0.00 -1.08 -2.75 103.07 103.87 1rqi h GLY 77 Ca 0.02 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 46.71 1rqi h GLY 77 CO 0.04 0.58 0.15 0.45 0.00 0.00 0.00 176.54 177.76 1rqi h HIS 78 N 0.74 0.56 -0.67 5.60 3.86 -1.05 -1.33 115.15 122.86 1rqi h HIS 78 Ca 0.13 -0.02 0.08 0.00 -1.16 0.00 0.00 60.37 59.40 1rqi h HIS 78 Cb 0.54 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.79 1rqi h HIS 78 CO 0.03 0.45 0.44 0.52 0.86 0.00 0.00 177.93 180.24 1rqi h MET 79 N 0.56 0.61 -0.64 2.45 2.86 -1.17 -2.33 114.93 117.27 1rqi h MET 79 Ca 0.14 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1rqi h MET 79 Cb 0.14 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1rqi h MET 79 CO -0.01 0.40 0.00 1.19 1.06 0.00 0.00 176.91 179.55 1rqi n PHE 80 N -4.48 1.59 -1.02 -0.22 3.01 -0.58 -4.71 117.46 111.05 1rqi n PHE 80 Ca 0.10 -0.58 -0.01 0.00 1.01 0.00 0.00 57.45 57.97 1rqi n PHE 80 Cb 0.27 -0.35 -0.00 0.00 -0.01 0.00 0.00 39.48 39.39 1rqi n PHE 80 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rqi n GLY 81 N 0.78 0.43 3.75 1.37 0.00 -0.88 -4.97 105.19 105.68 1rqi n GLY 81 Ca 0.24 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1rqi n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rqi s VAL 82 N -1.81 3.39 0.23 1.61 1.01 -0.74 -4.97 120.40 119.11 1rqi s VAL 82 Ca 0.00 1.31 -0.30 0.00 0.00 0.00 0.00 61.98 62.99 1rqi s VAL 82 Cb 0.00 -3.84 -0.10 0.00 0.00 0.00 0.00 36.38 32.45 1rqi s VAL 82 CO 0.00 0.28 1.39 -0.55 0.00 0.00 0.00 175.10 176.22 1rqi s SER 83 N -0.47 6.75 0.33 3.32 0.15 -1.26 -4.28 113.70 118.23 1rqi s SER 83 Ca 0.48 2.56 0.08 0.00 0.70 0.00 0.00 55.95 59.77 1rqi s SER 83 Cb -0.33 -2.62 0.81 0.00 -1.71 0.00 0.00 66.02 62.17 1rqi s SER 83 CO 0.41 -0.63 1.79 0.74 1.20 0.00 0.00 173.24 176.75 1rqi h THR 84 N 3.63 0.69 -0.66 6.45 2.02 -1.96 -1.97 112.91 121.11 1rqi h THR 84 Ca -0.45 -0.24 -0.06 0.00 0.77 0.00 0.00 66.41 66.43 1rqi h THR 84 Cb 1.22 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1rqi h THR 84 CO 0.78 0.13 0.16 -1.13 0.37 0.00 0.00 175.52 175.83 1rqi h ASN 85 N 0.69 0.98 -0.63 4.18 -1.24 -2.00 -1.34 115.58 116.22 1rqi h ASN 85 Ca 0.57 -0.20 -0.05 0.00 0.71 0.00 0.00 56.30 57.33 1rqi h ASN 85 Cb 0.98 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 39.74 1rqi h ASN 85 CO -0.35 0.94 0.20 0.74 -1.29 0.00 0.00 177.43 177.67 1rqi h THR 86 N 0.99 1.25 0.00 -3.57 2.02 -1.68 -3.09 112.91 108.83 1rqi h THR 86 Ca 0.21 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.54 1rqi h THR 86 Cb 0.34 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1rqi h THR 86 CO -0.00 0.33 0.00 -0.07 0.37 0.00 0.00 175.52 176.15 1rqi h LEU 87 N 0.97 0.00 -1.75 2.58 3.38 -0.75 -2.95 115.31 116.80 1rqi h LEU 87 Ca 0.21 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.36 1rqi h LEU 87 Cb 0.29 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1rqi h LEU 87 CO -0.01 0.00 0.51 0.44 0.09 0.00 0.00 178.44 179.47 1rqi h ASP 88 N 0.00 0.23 0.22 -0.43 3.32 -1.18 -0.90 116.42 117.67 1rqi h ASP 88 Ca 0.00 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1rqi h ASP 88 Cb 0.83 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1rqi h ASP 88 CO 0.00 0.11 -0.11 0.00 -1.72 0.00 0.00 179.24 177.52 1rqi h ALA 89 N 1.65 -0.82 -0.99 3.45 0.00 -1.70 -0.61 119.26 120.24 1rqi h ALA 89 Ca 0.37 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.32 1rqi h ALA 89 Cb 1.09 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 1rqi h ALA 89 CO -0.08 -0.80 0.63 -1.00 0.00 0.00 0.00 179.25 178.00 1rqi h PRO 90 N -0.37 0.98 -0.48 0.00 0.13 -1.73 -1.31 132.00 129.21 1rqi h PRO 90 Ca -0.03 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 1rqi h PRO 90 Cb 0.23 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1rqi h PRO 90 CO 0.05 0.65 0.25 0.00 -0.23 0.00 0.00 178.00 178.72 1rqi h ALA 91 N 1.53 0.62 0.00 -0.56 0.00 -1.20 0.11 119.26 119.76 1rqi h ALA 91 Ca 0.48 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.20 1rqi h ALA 91 Cb 0.43 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1rqi h ALA 91 CO -0.24 0.17 -0.36 0.00 0.00 0.00 0.00 179.25 178.82 1rqi h ALA 92 N 1.09 1.33 -0.09 0.00 0.00 -0.67 -2.34 119.26 118.57 1rqi h ALA 92 Ca 0.17 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1rqi h ALA 92 Cb 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1rqi h ALA 92 CO -0.02 0.45 -0.29 0.00 0.00 0.00 0.00 179.25 179.39 1rqi h ALA 93 N 1.64 0.15 -0.13 0.00 0.00 -0.32 0.24 119.26 120.84 1rqi h ALA 93 Ca -0.00 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 1rqi h ALA 93 Cb 0.67 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1rqi h ALA 93 CO 0.05 0.18 -0.34 -0.39 0.00 0.00 0.00 179.25 178.75 1rqi h VAL 94 N -0.11 1.28 -0.00 0.00 -1.51 -0.77 -1.92 116.25 113.22 1rqi h VAL 94 Ca -0.01 -1.34 -0.15 0.00 -1.23 0.00 0.00 66.70 63.96 1rqi h VAL 94 Cb 0.92 1.55 -0.02 0.00 -2.13 0.00 0.00 31.29 31.62 1rqi h VAL 94 CO 0.06 0.40 -0.73 -0.08 -1.23 0.00 0.00 177.57 176.00 1rqi h GLU 95 N 0.22 0.03 -0.08 5.19 4.57 -1.29 -0.70 114.58 122.53 1rqi h GLU 95 Ca 0.03 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1rqi h GLU 95 Cb 0.71 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.30 1rqi h GLU 95 CO 0.05 0.74 0.04 0.00 -1.18 0.00 0.00 179.01 178.67 1rqi h ILE 97 N 0.04 0.98 -0.51 0.00 1.08 -1.21 -1.60 117.51 116.30 1rqi h ILE 97 Ca 0.03 -0.07 0.05 0.00 -0.39 0.00 0.00 64.86 64.48 1rqi h ILE 97 Cb 0.07 0.75 -0.05 0.00 -3.07 0.00 0.00 36.82 34.52 1rqi h ILE 97 CO -0.00 0.04 0.24 -0.74 -0.69 0.00 0.00 178.15 176.99 1rqi h HIS 98 N 0.21 0.43 -0.48 1.37 2.76 -1.03 -1.28 115.15 117.14 1rqi h HIS 98 Ca 0.09 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.23 1rqi h HIS 98 Cb 0.03 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 1rqi h HIS 98 CO -0.10 0.20 0.09 0.00 -1.30 0.00 0.00 177.93 176.81 1rqi h ALA 99 N 1.29 0.63 -0.62 5.26 0.00 -0.94 -2.27 119.26 122.61 1rqi h ALA 99 Ca 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1rqi h ALA 99 Cb 0.17 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1rqi h ALA 99 CO -0.18 0.35 0.40 -0.92 0.00 0.00 0.00 179.25 178.90 1rqi h TYR 100 N 0.66 0.80 -0.42 0.00 3.20 -1.01 -2.39 116.97 117.81 1rqi h TYR 100 Ca 0.15 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.03 1rqi h TYR 100 Cb 0.37 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 1rqi h TYR 100 CO 0.03 0.52 0.28 0.66 -1.64 0.00 0.00 178.16 178.00 1rqi h SER 101 N 0.84 0.47 -0.08 -2.11 4.64 -0.70 -2.02 113.55 114.61 1rqi h SER 101 Ca 0.23 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.37 1rqi h SER 101 Cb -0.07 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 61.91 1rqi h SER 101 CO -0.05 0.34 -0.60 -0.07 -0.87 0.00 0.00 176.83 175.58 1rqi h LEU 102 N 0.56 0.66 -0.49 5.97 3.38 -1.12 -1.52 115.31 122.74 1rqi h LEU 102 Ca 0.15 -0.68 0.04 0.00 0.09 0.00 0.00 57.88 57.49 1rqi h LEU 102 Cb -0.06 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 1rqi h LEU 102 CO -0.03 1.24 0.24 0.40 0.09 0.00 0.00 178.44 180.37 1rqi h ILE 103 N 0.14 0.94 0.00 1.22 2.04 -0.93 -1.28 117.51 119.64 1rqi h ILE 103 Ca -0.05 -0.16 -0.10 0.00 1.00 0.00 0.00 64.86 65.54 1rqi h ILE 103 Cb 1.26 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1rqi h ILE 103 CO 0.12 0.09 -0.48 0.45 0.00 0.00 0.00 178.15 178.32 1rqi h HIS 104 N 0.47 0.00 -0.29 1.37 3.86 -1.41 -3.20 115.15 115.95 1rqi h HIS 104 Ca 0.22 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.28 1rqi h HIS 104 Cb 0.14 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 1rqi h HIS 104 CO -0.11 0.48 -0.42 0.22 0.86 0.00 0.00 177.93 178.96 1rqi h ASP 105 N 0.00 0.77 0.26 2.45 1.82 -0.55 -2.98 116.42 118.19 1rqi h ASP 105 Ca -0.00 -0.36 0.00 0.00 -0.39 0.00 0.00 57.03 56.28 1rqi h ASP 105 Cb 1.07 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.86 1rqi h ASP 105 CO 0.06 1.09 0.00 0.47 -1.61 0.00 0.00 179.24 179.25 1rqi n ASP 106 N -4.03 0.00 -4.77 2.28 10.43 -0.55 -0.73 116.55 119.18 1rqi n ASP 106 Ca -0.02 -0.50 -0.37 0.00 2.57 0.00 0.00 54.79 56.46 1rqi n ASP 106 Cb 0.54 -0.14 -0.00 0.00 1.84 0.00 0.00 41.12 43.36 1rqi n ASP 106 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1rqi s LEU 107 N -2.29 4.02 0.51 0.64 1.43 -1.13 -2.42 118.68 119.44 1rqi s LEU 107 Ca 0.35 2.39 0.29 0.00 -1.03 0.00 0.00 54.13 56.13 1rqi s LEU 107 Cb 0.19 -4.21 1.41 0.00 0.03 0.00 0.00 46.19 43.61 1rqi s LEU 107 CO 0.38 -0.98 1.87 -0.65 0.23 0.00 0.00 176.35 177.20 1rqi h PRO 108 N 2.05 0.08 0.00 1.29 0.11 -1.91 0.37 132.00 133.99 1rqi h PRO 108 Ca -0.50 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 1rqi h PRO 108 Cb 1.25 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1rqi h PRO 108 CO 0.60 0.05 -0.28 0.00 -0.21 0.00 0.00 178.00 178.16 1rqi h ALA 109 N 1.56 0.92 -3.00 -0.75 0.00 -1.94 -3.39 119.26 112.67 1rqi h ALA 109 Ca 0.45 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1rqi h ALA 109 Cb 1.64 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1rqi h ALA 109 CO -0.05 0.35 0.00 -1.33 0.00 0.00 0.00 179.25 178.22 1rqi n MET 110 N -3.32 0.00 0.01 0.00 2.81 0.12 -4.93 117.12 111.81 1rqi n MET 110 Ca 0.01 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.01 1rqi n MET 110 Cb 0.52 0.00 0.07 0.00 -0.71 0.00 0.00 33.22 33.10 1rqi n MET 110 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1rqi n ASP 111 N 0.00 0.69 -3.80 7.83 10.43 0.09 -4.94 116.55 126.85 1rqi n ASP 111 Ca 0.00 -0.47 -0.24 0.00 2.57 0.00 0.00 54.79 56.64 1rqi n ASP 111 Cb 0.00 0.65 0.01 0.00 1.84 0.00 0.00 41.12 43.62 1rqi n ASP 111 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1rqi n ASP 112 N -1.64 -1.50 -4.89 -2.24 4.64 -0.58 -4.96 116.55 105.39 1rqi n ASP 112 Ca 0.04 -0.93 -0.35 0.00 -1.38 0.00 0.00 54.79 52.17 1rqi n ASP 112 Cb 0.36 -3.54 -0.05 0.00 -1.04 0.00 0.00 41.12 36.85 1rqi n ASP 112 CO 0.00 0.00 0.00 -1.81 -0.82 0.00 0.00 177.20 174.57 1rqi s ASP 113 N -4.22 6.44 0.00 1.67 1.01 -1.02 -4.93 116.67 115.62 1rqi s ASP 113 Ca 0.08 0.49 0.18 0.00 0.71 0.00 0.00 52.55 54.01 1rqi s ASP 113 Cb -0.03 -2.07 0.11 0.00 1.01 0.00 0.00 42.92 41.95 1rqi s ASP 113 CO 0.85 0.32 1.03 -0.90 0.21 0.00 0.00 175.17 176.69 1rqi n ASP 114 N 1.45 2.33 -3.72 0.27 3.85 -1.26 -4.71 116.55 114.76 1rqi n ASP 114 Ca -0.15 -1.67 -0.18 0.00 -0.71 0.00 0.00 54.79 52.08 1rqi n ASP 114 Cb 0.54 0.10 -0.17 0.00 -1.35 0.00 0.00 41.12 40.24 1rqi n ASP 114 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 1rqi s LEU 115 N -1.64 0.55 -0.17 -2.12 0.20 -1.26 -1.95 118.68 112.29 1rqi s LEU 115 Ca 0.20 0.05 -0.13 0.00 0.69 0.00 0.00 54.13 54.93 1rqi s LEU 115 Cb 0.15 -0.14 0.05 0.00 -0.43 0.00 0.00 46.19 45.82 1rqi s LEU 115 CO 0.27 -0.20 0.44 -0.60 -0.29 0.00 0.00 176.35 175.98 1rqi s ARG 116 N 1.71 0.48 -1.86 1.98 3.52 0.51 -4.40 118.95 120.89 1rqi s ARG 116 Ca -0.01 0.69 0.00 0.00 -0.13 0.00 0.00 55.73 56.29 1rqi s ARG 116 Cb -0.12 0.16 0.00 0.00 -1.56 0.00 0.00 34.95 33.42 1rqi s ARG 116 CO -0.03 -0.10 0.00 0.54 -0.81 0.00 0.00 175.30 174.90 1rqi n ARG 117 N 3.36 -1.42 -0.19 5.12 1.74 -0.79 -2.13 116.66 122.35 1rqi n ARG 117 Ca -0.17 1.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.98 1rqi n ARG 117 Cb 0.56 -5.49 0.00 0.00 -1.02 0.00 0.00 32.46 26.51 1rqi n ARG 117 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rqi n GLY 118 N -0.79 0.66 3.28 -0.13 0.00 -0.66 -4.87 105.19 102.68 1rqi n GLY 118 Ca -0.21 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 1rqi n GLY 118 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rqi s LEU 119 N 0.00 2.44 0.30 0.99 1.43 -0.91 -5.06 118.68 117.86 1rqi s LEU 119 Ca 0.00 -1.07 -0.28 0.00 -1.03 0.00 0.00 54.13 51.75 1rqi s LEU 119 Cb 0.00 -0.35 -0.14 0.00 0.03 0.00 0.00 46.19 45.73 1rqi s LEU 119 CO 0.00 -0.37 0.97 -2.65 0.23 0.00 0.00 176.35 174.53 1rqi n PRO 120 N -0.28 1.27 -1.23 1.29 -0.02 -1.26 -0.37 135.00 134.40 1rqi n PRO 120 Ca -0.09 0.45 -0.30 0.00 -2.02 0.00 0.00 63.50 61.54 1rqi n PRO 120 Cb 0.62 -1.81 0.11 0.00 -0.02 0.00 0.00 33.50 32.40 1rqi n PRO 120 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1rqi s THR 121 N -1.08 3.00 0.35 3.45 -4.23 -0.82 -4.63 115.64 111.67 1rqi s THR 121 Ca 0.59 0.33 0.06 0.00 -1.18 0.00 0.00 61.69 61.48 1rqi s THR 121 Cb -0.70 -2.81 0.30 0.00 1.34 0.00 0.00 72.50 70.63 1rqi s THR 121 CO 0.60 -0.42 1.92 0.00 -0.54 0.00 0.00 174.62 176.17 1rqi h HIS 123 N 0.80 0.78 -0.27 0.00 2.07 -1.90 0.11 115.15 116.74 1rqi h HIS 123 Ca 0.38 -0.35 -0.03 0.00 -2.85 0.00 0.00 60.37 57.52 1rqi h HIS 123 Cb 0.40 -0.12 -0.01 0.00 2.57 0.00 0.00 27.41 30.25 1rqi h HIS 123 CO -0.00 1.14 0.06 0.28 -3.07 0.00 0.00 177.93 176.33 1rqi h VAL 124 N 0.39 1.22 -0.23 6.12 2.07 -1.73 0.55 116.25 124.65 1rqi h VAL 124 Ca -0.04 -0.74 -0.19 0.00 0.82 0.00 0.00 66.70 66.55 1rqi h VAL 124 Cb 1.35 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1rqi h VAL 124 CO 0.14 0.24 -0.63 0.50 0.02 0.00 0.00 177.57 177.84 1rqi h LYS 125 N 0.27 0.80 0.00 1.57 3.64 -1.14 -3.38 116.57 118.32 1rqi h LYS 125 Ca 0.08 -0.55 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1rqi h LYS 125 Cb 0.31 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1rqi h LYS 125 CO 0.00 1.18 -0.44 1.19 -2.27 0.00 0.00 179.45 179.11 1rqi n PHE 126 N -3.97 0.00 0.00 1.91 3.72 0.36 -5.09 117.46 114.39 1rqi n PHE 126 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1rqi n PHE 126 Cb 0.67 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 1rqi n PHE 126 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rqi n GLY 127 N 1.34 2.33 0.11 1.37 0.00 0.18 -4.54 105.19 105.99 1rqi n GLY 127 Ca 0.01 -1.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.04 1rqi n GLY 127 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1rqi h GLU 128 N 0.00 0.26 0.05 1.61 5.08 -1.88 -2.36 114.58 117.34 1rqi h GLU 128 Ca 0.00 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1rqi h GLU 128 Cb 0.00 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 1rqi h GLU 128 CO 0.00 0.45 -0.37 0.00 -1.00 0.00 0.00 179.01 178.09 1rqi h ALA 129 N 0.80 -0.59 -0.74 3.43 0.00 -1.93 0.36 119.26 120.60 1rqi h ALA 129 Ca 0.05 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1rqi h ALA 129 Cb 0.32 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1rqi h ALA 129 CO 0.00 -0.90 0.48 -0.91 0.00 0.00 0.00 179.25 177.93 1rqi h ASN 130 N -0.55 0.56 -0.33 0.00 -0.26 -1.79 -1.52 115.58 111.68 1rqi h ASN 130 Ca 0.04 0.01 -0.15 0.00 -0.56 0.00 0.00 56.30 55.64 1rqi h ASN 130 Cb 0.61 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.77 1rqi h ASN 130 CO -0.26 0.33 -0.38 0.00 -1.06 0.00 0.00 177.43 176.06 1rqi h ALA 131 N 1.63 0.63 -0.52 -0.83 0.00 -0.75 -0.47 119.26 118.96 1rqi h ALA 131 Ca 0.34 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1rqi h ALA 131 Cb 0.50 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1rqi h ALA 131 CO -0.12 0.67 0.01 0.82 0.00 0.00 0.00 179.25 180.64 1rqi h ILE 132 N 0.72 1.26 -0.05 0.00 2.04 -0.26 -1.91 117.51 119.31 1rqi h ILE 132 Ca 0.06 -1.07 -0.23 0.00 1.00 0.00 0.00 64.86 64.62 1rqi h ILE 132 Cb 0.96 0.93 0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1rqi h ILE 132 CO 0.09 0.38 -0.89 -0.07 0.00 0.00 0.00 178.15 177.66 1rqi h LEU 133 N 0.77 0.71 -0.68 1.44 3.38 -1.27 -1.57 115.31 118.09 1rqi h LEU 133 Ca 0.15 -0.53 0.03 0.00 0.09 0.00 0.00 57.88 57.63 1rqi h LEU 133 Cb 0.51 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 1rqi h LEU 133 CO 0.02 1.31 0.42 0.00 0.09 0.00 0.00 178.44 180.29 1rqi h ALA 134 N 0.65 0.90 0.30 1.53 0.00 -1.05 0.34 119.26 121.93 1rqi h ALA 134 Ca -0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1rqi h ALA 134 Cb 1.52 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1rqi h ALA 134 CO 0.17 0.17 -0.15 0.78 0.00 0.00 0.00 179.25 180.22 1rqi h GLY 135 N 0.82 -0.43 0.08 0.00 0.00 -1.28 -0.28 103.07 101.97 1rqi h GLY 135 Ca 0.28 0.16 0.14 0.00 0.00 0.00 0.00 47.33 47.90 1rqi h GLY 135 CO -0.12 -0.16 0.18 -0.55 0.00 0.00 0.00 176.54 175.90 1rqi h ASP 136 N -0.54 0.06 -0.22 0.19 3.32 -0.89 -1.54 116.42 116.80 1rqi h ASP 136 Ca -0.04 0.12 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 1rqi h ASP 136 Cb 0.40 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1rqi h ASP 136 CO 0.07 0.01 -0.22 0.00 -1.72 0.00 0.00 179.24 177.38 1rqi h ALA 137 N 1.54 0.95 -0.42 3.45 0.00 -0.09 -2.56 119.26 122.13 1rqi h ALA 137 Ca 0.37 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1rqi h ALA 137 Cb 0.59 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1rqi h ALA 137 CO -0.44 0.61 -0.22 -0.07 0.00 0.00 0.00 179.25 179.12 1rqi h LEU 138 N 0.60 0.86 -0.35 0.00 3.38 -0.11 0.03 115.31 119.72 1rqi h LEU 138 Ca 0.09 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1rqi h LEU 138 Cb 0.71 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1rqi h LEU 138 CO 0.05 1.05 0.20 -0.61 0.09 0.00 0.00 178.44 179.23 1rqi h GLN 139 N 0.73 0.48 -0.56 1.13 4.15 -1.19 -2.03 115.11 117.82 1rqi h GLN 139 Ca 0.10 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.39 1rqi h GLN 139 Cb 0.76 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.33 1rqi h GLN 139 CO 0.06 0.38 0.05 1.15 -1.93 0.00 0.00 178.83 178.53 1rqi h THR 140 N 0.44 1.25 -0.54 2.39 2.02 -1.15 -2.36 112.91 114.96 1rqi h THR 140 Ca 0.12 -1.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 1rqi h THR 140 Cb 0.03 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 1rqi h THR 140 CO -0.02 0.37 0.29 0.25 0.37 0.00 0.00 175.52 176.78 1rqi h LEU 141 N 0.87 0.66 -0.55 2.58 5.85 -0.75 -1.43 115.31 122.54 1rqi h LEU 141 Ca 0.17 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.91 1rqi h LEU 141 Cb 0.45 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 1rqi h LEU 141 CO 0.02 0.54 0.22 0.00 -0.34 0.00 0.00 178.44 178.88 1rqi h ALA 142 N 1.57 0.70 0.00 1.25 0.00 -0.81 -0.04 119.26 121.92 1rqi h ALA 142 Ca 0.19 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1rqi h ALA 142 Cb 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1rqi h ALA 142 CO -0.03 -0.16 -0.45 0.74 0.00 0.00 0.00 179.25 179.34 1rqi h PHE 143 N 0.43 0.00 -0.08 0.00 -1.00 -1.29 -2.63 116.94 112.37 1rqi h PHE 143 Ca 0.26 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.90 1rqi h PHE 143 Cb 0.27 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 1rqi h PHE 143 CO -0.14 0.45 -0.57 0.77 -1.61 0.00 0.00 178.31 177.21 1rqi h SER 144 N 0.00 0.27 0.22 2.17 0.02 -0.61 -1.78 113.55 113.85 1rqi h SER 144 Ca -0.00 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 1rqi h SER 144 Cb 1.20 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1rqi h SER 144 CO 0.06 0.78 -0.11 0.40 -1.14 0.00 0.00 176.83 176.83 1rqi h ILE 145 N 0.18 0.85 -0.31 3.27 2.04 -0.86 -1.38 117.51 121.31 1rqi h ILE 145 Ca -0.00 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 1rqi h ILE 145 Cb 1.06 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 1rqi h ILE 145 CO 0.09 0.15 0.06 -0.07 0.00 0.00 0.00 178.15 178.38 1rqi h LEU 146 N -0.68 0.41 0.05 1.44 3.38 -1.48 0.16 115.31 118.61 1rqi h LEU 146 Ca -0.03 -0.05 -0.24 0.00 0.09 0.00 0.00 57.88 57.65 1rqi h LEU 146 Cb 0.47 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1rqi h LEU 146 CO 0.05 0.43 -1.13 0.77 0.09 0.00 0.00 178.44 178.66 1rqi h SER 147 N 0.45 0.18 0.00 -0.43 4.64 -1.36 -3.41 113.55 113.61 1rqi h SER 147 Ca 0.11 -0.19 -0.28 0.00 -0.47 0.00 0.00 61.79 60.95 1rqi h SER 147 Cb 0.20 -0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 62.18 1rqi h SER 147 CO -0.00 1.15 -2.05 0.47 -0.87 0.00 0.00 176.83 175.53 1rqi n ASP 148 N -3.42 1.42 -4.75 4.97 10.43 -0.52 -5.05 116.55 119.62 1rqi n ASP 148 Ca -0.04 -0.01 -0.31 0.00 2.57 0.00 0.00 54.79 56.99 1rqi n ASP 148 Cb 0.98 0.71 0.10 0.00 1.84 0.00 0.00 41.12 44.75 1rqi n ASP 148 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1rqi s ALA 149 N -2.37 2.13 0.22 2.24 0.00 0.54 -4.94 121.76 119.58 1rqi s ALA 149 Ca -0.10 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 1rqi s ALA 149 Cb 0.05 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.78 1rqi s ALA 149 CO 0.60 -1.91 1.06 0.34 0.00 0.00 0.00 175.76 175.85 1rqi s ASP 150 N -3.20 7.35 -0.44 0.00 2.15 -1.26 -4.93 116.67 116.34 1rqi s ASP 150 Ca 0.63 2.10 0.07 0.00 0.43 0.00 0.00 52.55 55.78 1rqi s ASP 150 Cb -0.18 -2.61 0.22 0.00 -0.30 0.00 0.00 42.92 40.05 1rqi s ASP 150 CO 0.55 -0.12 0.61 0.23 -0.17 0.00 0.00 175.17 176.27 1rqi n MET 151 N 1.87 0.61 -0.00 4.34 2.81 -1.26 -4.76 117.12 120.72 1rqi n MET 151 Ca 0.01 -2.68 0.06 0.00 -1.81 0.00 0.00 57.70 53.27 1rqi n MET 151 Cb 0.46 -1.40 0.46 0.00 -0.71 0.00 0.00 33.22 32.03 1rqi n MET 151 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1rqi h PRO 152 N 4.43 0.47 -0.04 0.03 0.11 -1.94 -1.80 132.00 133.26 1rqi h PRO 152 Ca 0.05 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1rqi h PRO 152 Cb 0.95 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1rqi h PRO 152 CO 0.36 0.31 0.00 -0.85 -0.21 0.00 0.00 178.00 177.60 1rqi n GLU 153 N -4.48 1.80 -3.55 1.05 0.00 -1.26 -4.88 120.64 109.32 1rqi n GLU 153 Ca 0.04 -1.16 -0.37 0.00 0.00 0.00 0.00 57.16 55.67 1rqi n GLU 153 Cb 0.14 -1.47 -0.09 0.00 0.00 0.00 0.00 31.44 30.02 1rqi n GLU 153 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1rqi s VAL 154 N -1.97 5.29 0.79 3.84 1.01 -0.68 -4.87 120.40 123.82 1rqi s VAL 154 Ca 0.36 0.37 -0.11 0.00 0.00 0.00 0.00 61.98 62.60 1rqi s VAL 154 Cb 0.21 -3.59 0.06 0.00 0.00 0.00 0.00 36.38 33.06 1rqi s VAL 154 CO 0.32 0.29 1.09 -0.94 0.00 0.00 0.00 175.10 175.86 1rqi s SER 155 N 1.16 4.49 0.21 3.32 1.04 -1.26 -4.83 113.70 117.83 1rqi s SER 155 Ca 0.12 1.51 -0.10 0.00 0.48 0.00 0.00 55.95 57.96 1rqi s SER 155 Cb -0.14 -2.26 0.22 0.00 0.10 0.00 0.00 66.02 63.93 1rqi s SER 155 CO 0.06 -2.00 1.83 0.44 0.98 0.00 0.00 173.24 174.55 1rqi h ASP 156 N -1.10 0.63 -0.97 7.02 3.45 -1.97 -0.40 116.42 123.06 1rqi h ASP 156 Ca -0.46 0.02 0.01 0.00 0.43 0.00 0.00 57.03 57.03 1rqi h ASP 156 Cb 1.25 -0.11 -0.05 0.00 -0.56 0.00 0.00 39.33 39.86 1rqi h ASP 156 CO 0.56 0.42 0.64 -0.09 -1.57 0.00 0.00 179.24 179.21 1rqi h ARG 157 N 0.76 1.27 -0.05 3.56 9.65 -1.99 -0.56 114.38 127.01 1rqi h ARG 157 Ca 0.29 -0.08 -0.21 0.00 -1.10 0.00 0.00 59.98 58.89 1rqi h ARG 157 Cb 0.11 -0.29 0.00 0.00 -1.39 0.00 0.00 29.97 28.40 1rqi h ARG 157 CO -0.15 0.84 -0.83 -0.44 2.80 0.00 0.00 179.97 182.20 1rqi h ASP 158 N 1.31 0.55 -0.69 -3.80 3.32 -1.76 -1.40 116.42 113.94 1rqi h ASP 158 Ca 0.36 -0.40 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 1rqi h ASP 158 Cb -0.13 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 1rqi h ASP 158 CO -0.08 1.17 0.19 -0.09 -1.72 0.00 0.00 179.24 178.71 1rqi h ARG 159 N 0.29 1.09 -0.63 3.56 2.43 -0.70 0.85 114.38 121.27 1rqi h ARG 159 Ca -0.05 -0.25 -0.05 0.00 -0.81 0.00 0.00 59.98 58.81 1rqi h ARG 159 Cb 1.43 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.81 1rqi h ARG 159 CO 0.15 0.95 0.18 0.82 -1.51 0.00 0.00 179.97 180.55 1rqi h ILE 160 N 1.02 1.25 -0.15 1.20 2.04 -1.03 -1.57 117.51 120.27 1rqi h ILE 160 Ca 0.22 -0.88 -0.06 0.00 1.00 0.00 0.00 64.86 65.14 1rqi h ILE 160 Cb 0.33 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1rqi h ILE 160 CO -0.00 0.33 -0.18 0.28 0.00 0.00 0.00 178.15 178.58 1rqi h SER 161 N 0.91 0.25 -0.43 1.72 0.02 -0.94 0.12 113.55 115.19 1rqi h SER 161 Ca 0.20 -0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 1rqi h SER 161 Cb 0.32 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1rqi h SER 161 CO -0.00 0.45 -0.01 0.24 -1.14 0.00 0.00 176.83 176.37 1rqi h MET 162 N 0.24 0.77 0.12 3.45 2.86 -0.45 -1.51 114.93 120.42 1rqi h MET 162 Ca 0.04 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 1rqi h MET 162 Cb 0.47 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1rqi h MET 162 CO 0.03 0.84 -0.06 0.82 1.06 0.00 0.00 176.91 179.60 1rqi h ILE 163 N 0.61 1.04 -0.82 -1.22 2.04 -0.79 -1.14 117.51 117.23 1rqi h ILE 163 Ca 0.12 -0.70 0.15 0.00 1.00 0.00 0.00 64.86 65.43 1rqi h ILE 163 Cb 0.50 1.48 -0.10 0.00 -0.74 0.00 0.00 36.82 37.96 1rqi h ILE 163 CO 0.02 0.17 0.39 -1.28 0.00 0.00 0.00 178.15 177.45 1rqi h SER 164 N -0.50 0.43 -0.16 1.72 0.87 -0.83 -0.35 113.55 114.73 1rqi h SER 164 Ca -0.02 0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.57 1rqi h SER 164 Cb 0.40 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1rqi h SER 164 CO 0.03 0.17 -0.18 -0.08 -0.53 0.00 0.00 176.83 176.24 1rqi h GLU 165 N 0.55 0.40 -0.67 2.24 4.57 -1.21 -1.47 114.58 119.00 1rqi h GLU 165 Ca 0.45 -0.22 -0.06 0.00 -1.18 0.00 0.00 59.36 58.35 1rqi h GLU 165 Cb 0.67 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.24 1rqi h GLU 165 CO -0.38 0.79 0.17 1.25 -1.18 0.00 0.00 179.01 179.65 1rqi h LEU 166 N 0.04 0.99 0.39 1.64 5.85 -0.97 -1.50 115.31 121.75 1rqi h LEU 166 Ca 0.02 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1rqi h LEU 166 Cb 0.72 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1rqi h LEU 166 CO 0.04 0.95 -0.25 0.00 -0.34 0.00 0.00 178.44 178.84 1rqi h ALA 167 N 1.18 -0.61 0.00 1.25 0.00 -1.03 -0.80 119.26 119.25 1rqi h ALA 167 Ca 0.21 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1rqi h ALA 167 Cb 0.34 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1rqi h ALA 167 CO 0.00 -0.85 -0.21 0.66 0.00 0.00 0.00 179.25 178.85 1rqi h SER 168 N -0.61 0.00 1.84 0.00 4.64 -1.15 -1.90 113.55 116.36 1rqi h SER 168 Ca -0.04 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1rqi h SER 168 Cb 0.51 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1rqi h SER 168 CO 0.03 0.21 -0.16 0.00 -0.87 0.00 0.00 176.83 176.04 1rqi h ALA 169 N 1.79 0.92 0.00 5.18 0.00 -1.16 -3.03 119.26 122.97 1rqi h ALA 169 Ca -0.00 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.55 1rqi h ALA 169 Cb 0.75 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1rqi h ALA 169 CO 0.03 0.02 -2.08 0.43 0.00 0.00 0.00 179.25 177.65 1rqi n SER 170 N -3.05 0.44 -0.36 0.00 7.64 -0.32 -0.91 113.62 117.06 1rqi n SER 170 Ca 0.03 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1rqi n SER 170 Cb 0.54 0.49 0.00 0.00 -1.01 0.00 0.00 64.21 64.23 1rqi n SER 170 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rqi n GLY 171 N 1.67 1.54 0.22 0.23 0.00 -0.77 -2.28 105.19 105.80 1rqi n GLY 171 Ca -0.26 -1.65 0.08 0.00 0.00 0.00 0.00 46.02 44.19 1rqi n GLY 171 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1rqi h ILE 172 N 0.00 0.77 -0.00 -0.61 6.09 -1.87 -0.44 117.51 121.45 1rqi h ILE 172 Ca 0.00 -1.10 0.00 0.00 -1.37 0.00 0.00 64.86 62.39 1rqi h ILE 172 Cb 0.00 1.68 0.00 0.00 0.47 0.00 0.00 36.82 38.97 1rqi h ILE 172 CO 0.00 0.26 -0.11 0.00 -3.07 0.00 0.00 178.15 175.23 1rqi n ALA 173 N -2.30 2.74 -2.44 0.18 0.00 -1.26 -3.19 120.51 114.25 1rqi n ALA 173 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1rqi n ALA 173 Cb 0.40 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1rqi n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rqi n GLY 174 N 1.30 4.44 0.21 0.00 0.00 -0.30 -4.87 105.19 105.96 1rqi n GLY 174 Ca 0.14 -0.58 -0.02 0.00 0.00 0.00 0.00 46.02 45.56 1rqi n GLY 174 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1rqi h MET 175 N 0.00 0.08 -0.56 1.61 1.85 -0.72 -0.55 114.93 116.64 1rqi h MET 175 Ca 0.00 -0.00 -0.06 0.00 -0.61 0.00 0.00 59.70 59.02 1rqi h MET 175 Cb 0.00 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 31.99 1rqi h MET 175 CO 0.00 0.05 0.10 0.00 -0.40 0.00 0.00 176.91 176.67 1rqi h GLY 177 N 0.81 1.09 1.55 0.00 0.00 -1.04 -1.89 103.07 103.59 1rqi h GLY 177 Ca 0.17 -0.40 -0.12 0.00 0.00 0.00 0.00 47.33 46.98 1rqi h GLY 177 CO 0.01 0.38 -0.36 -1.33 0.00 0.00 0.00 176.54 175.23 1rqi h GLY 178 N 1.02 0.55 1.60 4.60 0.00 -0.79 -2.11 103.07 107.94 1rqi h GLY 178 Ca 0.29 -0.52 -0.16 0.00 0.00 0.00 0.00 47.33 46.95 1rqi h GLY 178 CO -0.07 0.47 -0.58 1.46 0.00 0.00 0.00 176.54 177.82 1rqi h GLN 179 N 0.42 0.42 -0.29 4.80 1.08 -0.62 -1.95 115.11 118.97 1rqi h GLN 179 Ca 0.04 -0.28 -0.15 0.00 -1.45 0.00 0.00 58.65 56.82 1rqi h GLN 179 Cb 0.83 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.29 1rqi h GLN 179 CO 0.07 0.88 -0.42 0.00 -0.95 0.00 0.00 178.83 178.41 1rqi h ALA 180 N 1.06 0.73 -0.34 3.87 0.00 -1.16 -0.79 119.26 122.63 1rqi h ALA 180 Ca -0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 1rqi h ALA 180 Cb 1.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1rqi h ALA 180 CO 0.10 0.66 -0.27 -0.07 0.00 0.00 0.00 179.25 179.68 1rqi h LEU 181 N 0.57 0.82 -0.45 0.00 3.38 -1.37 -1.61 115.31 116.65 1rqi h LEU 181 Ca 0.04 -0.45 0.08 0.00 0.09 0.00 0.00 57.88 57.65 1rqi h LEU 181 Cb 0.96 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.41 1rqi h LEU 181 CO 0.09 1.09 0.03 -0.78 0.09 0.00 0.00 178.44 178.96 1rqi h ASP 182 N 0.55 -0.13 -0.60 -0.43 3.58 -1.21 0.10 116.42 118.28 1rqi h ASP 182 Ca 0.06 0.10 -0.09 0.00 0.42 0.00 0.00 57.03 57.53 1rqi h ASP 182 Cb 0.83 0.17 -0.02 0.00 1.72 0.00 0.00 39.33 42.03 1rqi h ASP 182 CO 0.07 -0.03 0.05 0.25 -2.88 0.00 0.00 179.24 176.70 1rqi h LEU 183 N 0.14 1.01 -0.84 2.28 7.12 -1.05 -2.75 115.31 121.23 1rqi h LEU 183 Ca 0.23 -0.26 -0.09 0.00 0.13 0.00 0.00 57.88 57.88 1rqi h LEU 183 Cb 0.32 -0.27 -0.02 0.00 -0.53 0.00 0.00 40.66 40.16 1rqi h LEU 183 CO -0.35 1.04 -0.14 -0.78 -0.13 0.00 0.00 178.44 178.08 1rqi h ASP 184 N 0.97 0.71 0.29 1.25 1.82 -0.85 -2.91 116.42 117.70 1rqi h ASP 184 Ca 0.18 -0.22 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1rqi h ASP 184 Cb 0.49 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.31 1rqi h ASP 184 CO 0.02 0.87 0.00 0.00 -1.61 0.00 0.00 179.24 178.52 1rqi n ALA 185 N -2.49 2.12 -1.68 -0.78 0.00 0.31 -4.77 120.51 113.22 1rqi n ALA 185 Ca 0.01 -0.10 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 1rqi n ALA 185 Cb 0.37 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 1rqi n ALA 185 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1rqi s GLU 186 N -2.43 4.14 0.00 0.00 2.02 -1.10 -2.09 118.70 119.23 1rqi s GLU 186 Ca 0.22 2.61 0.00 0.00 0.02 0.00 0.00 54.97 57.82 1rqi s GLU 186 Cb 0.14 -4.08 0.00 0.00 0.10 0.00 0.00 34.13 30.29 1rqi s GLU 186 CO 0.29 -0.94 0.00 0.41 0.02 0.00 0.00 175.26 175.04 1rqi n GLY 187 N 4.50 0.38 0.21 -1.39 0.00 0.15 -4.86 105.19 104.17 1rqi n GLY 187 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.26 1rqi n GLY 187 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rqi n LYS 188 N -1.99 2.04 -4.02 1.61 5.02 -0.89 -5.02 118.16 114.90 1rqi n LYS 188 Ca 0.00 -0.59 -0.28 0.00 -2.02 0.00 0.00 58.31 55.41 1rqi n LYS 188 Cb 0.12 -1.05 -0.03 0.00 -0.02 0.00 0.00 35.03 34.05 1rqi n LYS 188 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1rqi n HIS 189 N -0.23 -1.56 -2.03 2.13 8.25 -1.25 -4.84 115.22 115.69 1rqi n HIS 189 Ca 0.04 0.65 -0.36 0.00 -0.26 0.00 0.00 57.72 57.78 1rqi n HIS 189 Cb 0.19 -3.44 0.03 0.00 1.12 0.00 0.00 29.99 27.88 1rqi n HIS 189 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1rqi s VAL 190 N -4.00 2.64 1.17 1.59 -7.23 -1.26 -5.01 120.40 108.30 1rqi s VAL 190 Ca 0.07 0.42 -0.17 0.00 -1.81 0.00 0.00 61.98 60.48 1rqi s VAL 190 Cb -0.03 -3.18 0.27 0.00 0.56 0.00 0.00 36.38 34.00 1rqi s VAL 190 CO 0.92 -0.07 1.09 -2.16 -0.31 0.00 0.00 175.10 174.57 1rqi s PRO 191 N -3.23 -0.93 0.18 4.82 0.04 -1.26 -4.69 135.00 129.93 1rqi s PRO 191 Ca 0.76 0.11 -0.13 0.00 0.04 0.00 0.00 61.00 61.78 1rqi s PRO 191 Cb -0.31 -1.61 0.09 0.00 0.04 0.00 0.00 34.50 32.71 1rqi s PRO 191 CO 0.34 -3.55 1.82 1.25 0.04 0.00 0.00 177.00 176.90 1rqi h LEU 192 N -2.47 0.72 -1.19 -3.56 7.12 -1.98 -1.75 115.31 112.20 1rqi h LEU 192 Ca -0.48 -0.05 -0.04 0.00 0.13 0.00 0.00 57.88 57.44 1rqi h LEU 192 Cb 1.31 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 41.23 1rqi h LEU 192 CO 0.41 0.56 0.12 -2.24 -0.13 0.00 0.00 178.44 177.16 1rqi h ASP 193 N 0.82 0.64 1.24 1.25 -0.00 -1.99 -0.53 116.42 117.85 1rqi h ASP 193 Ca 0.22 -0.10 -0.15 0.00 -0.00 0.00 0.00 57.03 57.00 1rqi h ASP 193 Cb -0.03 -0.16 -0.02 0.00 -0.00 0.00 0.00 39.33 39.11 1rqi h ASP 193 CO -0.04 0.62 -0.77 0.00 -0.00 0.00 0.00 179.24 179.05 1rqi h ALA 194 N 1.47 0.57 -0.27 4.15 0.00 -1.82 -2.54 119.26 120.81 1rqi h ALA 194 Ca 0.15 -0.67 -0.18 0.00 0.00 0.00 0.00 54.91 54.22 1rqi h ALA 194 Cb 0.24 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1rqi h ALA 194 CO -0.00 0.88 -0.55 1.25 0.00 0.00 0.00 179.25 180.83 1rqi h LEU 195 N 0.00 0.89 -0.34 0.00 5.85 -1.05 -2.30 115.31 118.36 1rqi h LEU 195 Ca -0.03 -0.47 -0.04 0.00 0.84 0.00 0.00 57.88 58.18 1rqi h LEU 195 Cb 1.55 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 1rqi h LEU 195 CO 0.09 1.25 0.05 -0.08 -0.34 0.00 0.00 178.44 179.41 1rqi h GLU 196 N 0.61 0.56 -0.54 1.25 4.81 -1.09 -1.93 114.58 118.25 1rqi h GLU 196 Ca 0.01 -0.15 0.09 0.00 -0.13 0.00 0.00 59.36 59.18 1rqi h GLU 196 Cb 1.14 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.38 1rqi h GLU 196 CO 0.12 0.65 0.12 -0.09 -0.73 0.00 0.00 179.01 179.08 1rqi h ARG 197 N 0.39 0.25 -0.20 1.92 2.43 -1.45 -0.10 114.38 117.62 1rqi h ARG 197 Ca 0.10 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1rqi h ARG 197 Cb 0.37 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 1rqi h ARG 197 CO 0.01 0.17 0.05 0.82 -1.51 0.00 0.00 179.97 179.51 1rqi h ILE 198 N 0.26 0.93 -0.09 1.20 2.04 -1.05 -2.80 117.51 118.00 1rqi h ILE 198 Ca 0.28 -0.05 -0.17 0.00 1.00 0.00 0.00 64.86 65.92 1rqi h ILE 198 Cb 0.38 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1rqi h ILE 198 CO -0.35 0.03 -0.67 0.45 0.00 0.00 0.00 178.15 177.61 1rqi h HIS 199 N 0.14 0.48 -0.12 1.37 3.86 -0.76 -1.43 115.15 118.68 1rqi h HIS 199 Ca 0.09 -0.20 -0.07 0.00 -1.16 0.00 0.00 60.37 59.02 1rqi h HIS 199 Cb 0.07 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 1rqi h HIS 199 CO -0.13 0.93 -0.26 0.00 0.86 0.00 0.00 177.93 179.33 1rqi h ARG 200 N 0.26 0.22 0.00 2.45 3.08 -1.01 -2.02 114.38 117.36 1rqi h ARG 200 Ca -0.02 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 59.88 1rqi h ARG 200 Cb 1.22 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 1rqi h ARG 200 CO 0.11 0.47 -0.51 0.45 -1.07 0.00 0.00 179.97 179.42 1rqi h HIS 201 N 0.20 0.00 0.00 3.04 3.86 -1.31 -0.30 115.15 120.64 1rqi h HIS 201 Ca 0.03 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.13 1rqi h HIS 201 Cb 0.57 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.02 1rqi h HIS 201 CO 0.01 0.91 -0.52 1.57 0.86 0.00 0.00 177.93 180.76 1rqi h LYS 202 N -1.00 0.00 0.00 2.45 2.10 -1.33 -2.78 116.57 116.02 1rqi h LYS 202 Ca -0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 1rqi h LYS 202 Cb 0.90 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.23 1rqi h LYS 202 CO -0.08 0.52 -0.90 2.41 -2.00 0.00 0.00 179.45 179.40 1rqi n THR 203 N -3.86 0.00 -0.21 0.07 -1.04 -0.91 -4.65 114.28 103.69 1rqi n THR 203 Ca -0.01 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.94 1rqi n THR 203 Cb 0.54 -0.79 0.04 0.00 -1.82 0.00 0.00 70.33 68.30 1rqi n THR 203 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1rqi h GLY 204 N 0.00 0.84 0.82 3.41 0.00 -1.04 -3.05 103.07 104.06 1rqi h GLY 204 Ca 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 47.33 47.07 1rqi h GLY 204 CO 0.00 0.28 0.40 0.00 0.00 0.00 0.00 176.54 177.22 1rqi h ALA 205 N 1.23 0.87 -0.04 3.60 0.00 -1.11 0.04 119.26 123.86 1rqi h ALA 205 Ca 0.23 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.92 1rqi h ALA 205 Cb -0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1rqi h ALA 205 CO -0.07 0.14 -0.84 1.25 0.00 0.00 0.00 179.25 179.73 1rqi h LEU 206 N 0.78 0.49 -0.52 0.00 5.85 -1.74 -0.61 115.31 119.57 1rqi h LEU 206 Ca 0.27 -0.36 -0.12 0.00 0.84 0.00 0.00 57.88 58.51 1rqi h LEU 206 Cb 0.06 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1rqi h LEU 206 CO -0.12 1.14 -0.15 0.40 -0.34 0.00 0.00 178.44 179.36 1rqi h ILE 207 N 0.24 1.27 -0.59 4.05 2.04 -1.31 -1.03 117.51 122.18 1rqi h ILE 207 Ca -0.05 -1.32 -0.01 0.00 1.00 0.00 0.00 64.86 64.47 1rqi h ILE 207 Cb 1.45 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 38.53 1rqi h ILE 207 CO 0.14 0.46 0.31 -0.09 0.00 0.00 0.00 178.15 178.97 1rqi h ARG 208 N 0.89 0.82 -0.22 2.37 2.43 -0.87 -2.27 114.38 117.53 1rqi h ARG 208 Ca 0.13 -0.09 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 1rqi h ARG 208 Cb 0.73 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1rqi h ARG 208 CO 0.06 0.61 -0.39 0.00 -1.51 0.00 0.00 179.97 178.74 1rqi h ALA 209 N 1.52 0.92 -0.36 2.80 0.00 -0.55 0.16 119.26 123.75 1rqi h ALA 209 Ca 0.21 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1rqi h ALA 209 Cb 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1rqi h ALA 209 CO -0.03 0.63 0.23 0.00 0.00 0.00 0.00 179.25 180.08 1rqi h ALA 210 N 1.17 0.46 -0.23 0.00 0.00 -0.76 0.16 119.26 120.05 1rqi h ALA 210 Ca 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1rqi h ALA 210 Cb 0.86 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1rqi h ALA 210 CO 0.07 -0.06 0.08 0.28 0.00 0.00 0.00 179.25 179.62 1rqi h VAL 211 N 0.48 1.19 -0.80 0.00 2.07 -1.08 -2.13 116.25 115.98 1rqi h VAL 211 Ca 0.13 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1rqi h VAL 211 Cb -0.03 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1rqi h VAL 211 CO -0.03 0.19 0.46 0.03 0.02 0.00 0.00 177.57 178.25 1rqi h ARG 212 N 0.21 1.10 -0.32 1.57 3.08 -0.38 -2.02 114.38 117.62 1rqi h ARG 212 Ca 0.07 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 1rqi h ARG 212 Cb 0.22 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1rqi h ARG 212 CO -0.00 0.79 -0.29 -0.07 -1.07 0.00 0.00 179.97 179.33 1rqi h LEU 213 N 1.12 0.68 -0.40 3.04 4.07 -0.53 0.20 115.31 123.49 1rqi h LEU 213 Ca 0.29 -0.26 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 1rqi h LEU 213 Cb -0.01 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.52 1rqi h LEU 213 CO -0.05 0.93 0.23 1.23 -1.08 0.00 0.00 178.44 179.70 1rqi h GLY 214 N 0.99 0.59 1.06 0.83 0.00 -1.00 -2.66 103.07 102.89 1rqi h GLY 214 Ca 0.07 -0.26 -0.13 0.00 0.00 0.00 0.00 47.33 47.01 1rqi h GLY 214 CO 0.06 0.25 -0.27 0.00 0.00 0.00 0.00 176.54 176.58 1rqi h ALA 215 N 1.08 0.56 0.00 3.60 0.00 -0.98 -2.99 119.26 120.53 1rqi h ALA 215 Ca 0.14 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1rqi h ALA 215 Cb 0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1rqi h ALA 215 CO -0.02 0.58 -0.01 -0.07 0.00 0.00 0.00 179.25 179.72 1rqi h LEU 216 N 0.69 0.00 -1.93 0.00 3.38 -0.99 -1.31 115.31 115.15 1rqi h LEU 216 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1rqi h LEU 216 Cb 0.85 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1rqi h LEU 216 CO 0.07 0.01 -0.09 0.28 0.09 0.00 0.00 178.44 178.81 1rqi h SER 217 N 0.00 0.00 -0.17 -0.43 0.02 -1.31 -2.90 113.55 108.76 1rqi h SER 217 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rqi h SER 217 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1rqi h SER 217 CO 0.00 0.09 0.00 0.00 -1.14 0.00 0.00 176.83 175.78 1rqi n ALA 218 N -2.22 2.48 -0.60 3.77 0.00 -0.49 -4.53 120.51 118.93 1rqi n ALA 218 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1rqi n ALA 218 Cb 0.24 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1rqi n ALA 218 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rqi n GLY 219 N 1.31 2.26 0.19 0.00 0.00 -1.10 -3.77 105.19 104.09 1rqi n GLY 219 Ca 0.17 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 1rqi n GLY 219 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1rqi h ASP 220 N 0.51 0.62 -0.82 1.61 3.32 -1.92 -1.92 116.42 117.83 1rqi h ASP 220 Ca 0.00 -0.41 0.10 0.00 0.02 0.00 0.00 57.03 56.74 1rqi h ASP 220 Cb 0.00 -0.17 -0.08 0.00 0.22 0.00 0.00 39.33 39.30 1rqi h ASP 220 CO 0.00 0.90 0.46 0.11 -1.72 0.00 0.00 179.24 178.98 1rqi h LYS 221 N 0.35 0.72 -0.31 3.56 1.57 -1.93 -2.09 116.57 118.45 1rqi h LYS 221 Ca 0.06 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.66 1rqi h LYS 221 Cb 0.66 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1rqi h LYS 221 CO 0.04 0.48 -0.37 0.78 -0.57 0.00 0.00 179.45 179.81 1rqi h GLY 222 N 0.74 0.77 1.03 3.86 0.00 -1.60 -3.19 103.07 104.69 1rqi h GLY 222 Ca 0.40 -0.76 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 1rqi h GLY 222 CO -0.27 0.69 0.23 3.21 0.00 0.00 0.00 176.54 180.40 1rqi h ARG 223 N 0.59 1.05 0.00 4.80 3.08 -0.72 -2.41 114.38 120.77 1rqi h ARG 223 Ca 0.06 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 1rqi h ARG 223 Cb 0.90 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 1rqi h ARG 223 CO 0.08 0.90 -0.02 0.00 -1.07 0.00 0.00 179.97 179.86 1rqi h ARG 224 N 0.99 0.00 -0.00 0.04 3.08 -1.39 -2.10 114.38 115.00 1rqi h ARG 224 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1rqi h ARG 224 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1rqi h ARG 224 CO -0.01 0.02 -0.49 0.00 -1.07 0.00 0.00 179.97 178.43 1rqi n ALA 225 N -2.23 3.55 -0.08 0.04 0.00 -0.93 -4.57 120.51 116.29 1rqi n ALA 225 Ca -0.03 -0.40 -0.10 0.00 0.00 0.00 0.00 53.44 52.92 1rqi n ALA 225 Cb 0.12 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.47 1rqi n ALA 225 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1rqi h LEU 226 N 0.42 0.35 -0.79 0.00 3.38 -1.17 -0.30 115.31 117.21 1rqi h LEU 226 Ca 0.00 -0.08 0.18 0.00 0.09 0.00 0.00 57.88 58.07 1rqi h LEU 226 Cb 0.51 -0.09 -0.12 0.00 0.09 0.00 0.00 40.66 41.05 1rqi h LEU 226 CO 0.00 0.34 0.21 -0.65 0.09 0.00 0.00 178.44 178.43 1rqi h PRO 227 N 0.35 0.27 -0.00 1.13 0.11 -1.80 0.31 132.00 132.36 1rqi h PRO 227 Ca 0.10 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 1rqi h PRO 227 Cb 0.06 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1rqi h PRO 227 CO -0.02 0.18 -0.03 0.28 -0.21 0.00 0.00 178.00 178.20 1rqi h VAL 228 N 0.28 1.59 -0.52 3.15 2.07 -1.81 -3.00 116.25 118.02 1rqi h VAL 228 Ca 0.46 -1.77 0.11 0.00 0.82 0.00 0.00 66.70 66.32 1rqi h VAL 228 Cb 0.82 2.78 -0.03 0.00 -1.52 0.00 0.00 31.29 33.34 1rqi h VAL 228 CO -0.54 0.46 0.36 -0.07 0.02 0.00 0.00 177.57 177.80 1rqi h LEU 229 N -0.71 0.18 -0.25 2.57 3.38 -0.60 0.21 115.31 120.09 1rqi h LEU 229 Ca -0.00 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1rqi h LEU 229 Cb 0.77 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1rqi h LEU 229 CO 0.01 0.10 0.09 0.44 0.09 0.00 0.00 178.44 179.17 1rqi h ASP 230 N 0.20 0.35 -0.41 -0.43 3.32 -0.42 0.23 116.42 119.26 1rqi h ASP 230 Ca 0.24 -0.18 0.04 0.00 0.02 0.00 0.00 57.03 57.15 1rqi h ASP 230 Cb 0.70 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.12 1rqi h ASP 230 CO -0.04 0.44 0.19 0.11 -1.72 0.00 0.00 179.24 178.22 1rqi h LYS 231 N 0.25 0.37 0.04 3.56 1.57 -0.85 0.39 116.57 121.90 1rqi h LYS 231 Ca 0.08 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1rqi h LYS 231 Cb 0.21 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 1rqi h LYS 231 CO -0.00 0.25 -0.34 -0.92 -0.57 0.00 0.00 179.45 177.86 1rqi h TYR 232 N 0.38 -0.94 -0.36 -1.35 3.20 -1.21 -2.19 116.97 114.51 1rqi h TYR 232 Ca 0.18 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 1rqi h TYR 232 Cb 0.11 0.41 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 1rqi h TYR 232 CO -0.11 -0.43 -0.06 0.00 -1.64 0.00 0.00 178.16 175.91 1rqi h ALA 233 N 0.15 1.23 -0.69 1.82 0.00 -0.41 -0.88 119.26 120.48 1rqi h ALA 233 Ca 0.05 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1rqi h ALA 233 Cb 0.58 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1rqi h ALA 233 CO -0.25 0.51 0.16 0.93 0.00 0.00 0.00 179.25 180.59 1rqi h GLU 234 N 0.55 1.11 -0.02 0.00 5.08 -0.08 0.17 114.58 121.39 1rqi h GLU 234 Ca 0.11 -0.27 -0.19 0.00 -1.00 0.00 0.00 59.36 58.01 1rqi h GLU 234 Cb 0.45 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.57 1rqi h GLU 234 CO 0.02 0.99 -0.71 0.77 -1.00 0.00 0.00 179.01 179.08 1rqi h SER 235 N 1.05 0.66 0.58 1.42 0.02 -0.76 -2.63 113.55 113.90 1rqi h SER 235 Ca 0.22 -0.73 -0.08 0.00 -0.84 0.00 0.00 61.79 60.35 1rqi h SER 235 Cb 0.38 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1rqi h SER 235 CO 0.00 1.30 -0.40 0.16 -1.14 0.00 0.00 176.83 176.75 1rqi h ILE 236 N 0.09 1.11 0.93 3.27 3.07 -1.14 -1.73 117.51 123.10 1rqi h ILE 236 Ca -0.08 -1.47 -0.04 0.00 1.55 0.00 0.00 64.86 64.81 1rqi h ILE 236 Cb 1.39 1.84 0.01 0.00 -0.27 0.00 0.00 36.82 39.78 1rqi h ILE 236 CO 0.14 0.40 -0.48 1.23 -1.05 0.00 0.00 178.15 178.39 1rqi h GLY 237 N 1.57 -1.36 0.99 0.16 0.00 -0.64 0.10 103.07 103.90 1rqi h GLY 237 Ca -0.00 0.52 0.01 0.00 0.00 0.00 0.00 47.33 47.86 1rqi h GLY 237 CO 0.05 -0.49 0.57 -2.00 0.00 0.00 0.00 176.54 174.68 1rqi h LEU 238 N -1.28 0.98 -1.02 3.11 5.85 -1.46 -2.45 115.31 119.04 1rqi h LEU 238 Ca -0.13 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.62 1rqi h LEU 238 Cb 1.00 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.72 1rqi h LEU 238 CO 0.19 0.71 0.65 0.00 -0.34 0.00 0.00 178.44 179.65 1rqi h ALA 239 N 1.32 1.38 -0.36 1.25 0.00 -1.05 -2.18 119.26 119.62 1rqi h ALA 239 Ca 0.32 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.27 1rqi h ALA 239 Cb -0.12 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 17.27 1rqi h ALA 239 CO -0.07 0.49 -0.07 0.35 0.00 0.00 0.00 179.25 179.94 1rqi h PHE 240 N 1.22 -0.16 -0.02 0.00 3.57 -0.30 -0.98 116.94 120.27 1rqi h PHE 240 Ca 0.42 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.78 1rqi h PHE 240 Cb 0.10 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1rqi h PHE 240 CO -0.00 -0.14 -0.77 0.37 -2.23 0.00 0.00 178.31 175.54 1rqi h GLN 241 N 0.02 0.15 -0.20 1.11 5.75 -1.36 -1.39 115.11 119.19 1rqi h GLN 241 Ca 0.18 -0.14 -0.14 0.00 -0.15 0.00 0.00 58.65 58.40 1rqi h GLN 241 Cb 0.27 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 1rqi h GLN 241 CO -0.36 0.84 -0.46 -0.24 -2.65 0.00 0.00 178.83 175.96 1rqi h VAL 242 N 0.09 1.31 -0.24 2.39 3.04 -1.03 -0.72 116.25 121.10 1rqi h VAL 242 Ca -0.02 -1.66 -0.12 0.00 -1.01 0.00 0.00 66.70 63.88 1rqi h VAL 242 Cb 1.35 1.66 -0.01 0.00 -2.01 0.00 0.00 31.29 32.28 1rqi h VAL 242 CO 0.11 0.52 -0.37 -0.61 -1.01 0.00 0.00 177.57 176.21 1rqi h GLN 243 N 0.40 0.53 -0.39 4.17 5.75 -1.12 -0.44 115.11 124.02 1rqi h GLN 243 Ca 0.03 -0.25 -0.04 0.00 -0.15 0.00 0.00 58.65 58.23 1rqi h GLN 243 Cb 0.96 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.49 1rqi h GLN 243 CO 0.09 0.82 0.06 0.22 -2.65 0.00 0.00 178.83 177.36 1rqi h ASP 244 N 0.45 0.55 -0.21 -0.69 3.58 -1.02 0.06 116.42 119.13 1rqi h ASP 244 Ca 0.05 -0.09 -0.08 0.00 0.42 0.00 0.00 57.03 57.32 1rqi h ASP 244 Cb 0.85 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.75 1rqi h ASP 244 CO 0.07 0.58 -0.19 0.44 -2.88 0.00 0.00 179.24 177.26 1rqi h ASP 245 N 0.57 0.53 -0.68 2.28 3.32 -0.72 -2.35 116.42 119.37 1rqi h ASP 245 Ca 0.13 -0.46 -0.02 0.00 0.02 0.00 0.00 57.03 56.69 1rqi h ASP 245 Cb 0.28 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1rqi h ASP 245 CO 0.00 0.88 0.35 0.40 -1.72 0.00 0.00 179.24 179.16 1rqi h ILE 246 N 0.18 1.22 0.00 0.35 2.04 -0.88 -2.26 117.51 118.16 1rqi h ILE 246 Ca 0.04 -0.59 -0.09 0.00 1.00 0.00 0.00 64.86 65.22 1rqi h ILE 246 Cb 0.73 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1rqi h ILE 246 CO 0.05 0.25 -0.41 -0.07 0.00 0.00 0.00 178.15 177.97 1rqi h LEU 247 N 0.94 0.00 -1.27 1.44 3.38 -0.99 -1.98 115.31 116.84 1rqi h LEU 247 Ca 0.24 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 1rqi h LEU 247 Cb 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1rqi h LEU 247 CO -0.03 0.41 -0.06 -0.78 0.09 0.00 0.00 178.44 178.06 1rqi h ASP 248 N 0.00 0.40 0.18 -0.43 1.82 -0.84 0.56 116.42 118.11 1rqi h ASP 248 Ca -0.00 -0.08 -0.01 0.00 -0.39 0.00 0.00 57.03 56.55 1rqi h ASP 248 Cb 0.75 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.66 1rqi h ASP 248 CO 0.05 0.51 -0.09 0.58 -1.61 0.00 0.00 179.24 178.69 1rqi h VAL 249 N 0.40 0.44 -0.15 2.25 2.07 -1.28 -1.09 116.25 118.90 1rqi h VAL 249 Ca 0.08 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1rqi h VAL 249 Cb 0.37 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1rqi h VAL 249 CO 0.02 0.13 0.00 1.33 0.02 0.00 0.00 177.57 179.06 1rqi n VAL 250 N -4.92 0.17 -3.16 2.57 0.24 -0.79 -4.70 118.33 107.74 1rqi n VAL 250 Ca -0.06 -0.54 -0.34 0.00 -2.04 0.00 0.00 64.34 61.36 1rqi n VAL 250 Cb 0.20 1.16 -0.06 0.00 -1.47 0.00 0.00 33.84 33.66 1rqi n VAL 250 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1rqi s GLY 251 N -1.81 2.45 0.11 7.63 0.00 0.19 -5.03 107.32 110.85 1rqi s GLY 251 Ca 0.33 0.06 -0.30 0.00 0.00 0.00 0.00 44.72 44.80 1rqi s GLY 251 CO 0.31 0.33 1.10 -0.35 0.00 0.00 0.00 173.10 174.48 1rqi s ASP 252 N -1.98 7.25 0.22 1.64 3.68 -1.26 -4.66 116.67 121.56 1rqi s ASP 252 Ca 0.48 1.97 -0.08 0.00 2.13 0.00 0.00 52.55 57.05 1rqi s ASP 252 Cb -0.13 -2.59 0.35 0.00 -1.45 0.00 0.00 42.92 39.10 1rqi s ASP 252 CO 0.19 -0.28 1.69 0.74 0.13 0.00 0.00 175.17 177.64 1rqi h THR 253 N 4.15 0.58 0.00 1.71 2.02 -1.96 -0.31 112.91 119.11 1rqi h THR 253 Ca -0.43 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 66.62 1rqi h THR 253 Cb 1.21 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1rqi h THR 253 CO 0.75 0.05 -0.20 0.00 0.37 0.00 0.00 175.52 176.49 1rqi h ALA 254 N 1.54 1.26 0.10 6.16 0.00 -1.93 0.10 119.26 126.50 1rqi h ALA 254 Ca 0.35 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 1rqi h ALA 254 Cb 0.56 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1rqi h ALA 254 CO -0.46 0.25 -0.82 1.15 0.00 0.00 0.00 179.25 179.37 1rqi h THR 255 N 0.00 1.43 -0.02 0.00 2.02 -1.77 -3.37 112.91 111.21 1rqi h THR 255 Ca -0.00 -2.46 -0.06 0.00 0.77 0.00 0.00 66.41 64.66 1rqi h THR 255 Cb 0.49 3.08 -0.01 0.00 -1.74 0.00 0.00 68.15 69.97 1rqi h THR 255 CO 0.03 0.67 -0.28 -0.07 0.37 0.00 0.00 175.52 176.24 1rqi h LEU 256 N -0.50 0.03 0.00 2.58 3.38 -0.77 -3.45 115.31 116.58 1rqi h LEU 256 Ca -0.16 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1rqi h LEU 256 Cb 1.54 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.28 1rqi h LEU 256 CO 0.09 0.31 0.00 0.61 0.09 0.00 0.00 178.44 179.54 1rqi n GLY 257 N -0.70 2.01 3.17 0.83 0.00 -0.00 -4.59 105.19 105.91 1rqi n GLY 257 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 1rqi n GLY 257 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rqi s LYS 258 N -0.07 0.95 -0.13 1.61 -2.85 -1.21 -1.66 119.74 116.39 1rqi s LYS 258 Ca 0.00 -1.45 -0.29 0.00 -1.00 0.00 0.00 55.97 53.22 1rqi s LYS 258 Cb 0.00 0.13 -0.02 0.00 -2.06 0.00 0.00 37.83 35.88 1rqi s LYS 258 CO 0.00 -0.23 1.20 1.03 0.10 0.00 0.00 175.35 177.45 1rqi s ARG 259 N -4.01 4.29 0.28 1.78 0.52 -1.26 -4.37 118.95 116.17 1rqi s ARG 259 Ca 0.23 1.61 -0.30 0.00 -0.52 0.00 0.00 55.73 56.75 1rqi s ARG 259 Cb 0.07 -3.66 -0.12 0.00 0.52 0.00 0.00 34.95 31.77 1rqi s ARG 259 CO 0.02 -0.58 1.63 -1.14 0.02 0.00 0.00 175.30 175.25 1rqi s GLN 260 N 2.89 4.12 0.00 3.54 0.74 -1.26 -3.07 119.66 126.61 1rqi s GLN 260 Ca 0.53 2.60 0.00 0.00 0.05 0.00 0.00 55.36 58.54 1rqi s GLN 260 Cb -0.22 -3.03 0.00 0.00 1.10 0.00 0.00 33.01 30.86 1rqi s GLN 260 CO 0.16 -0.67 0.00 0.41 -0.55 0.00 0.00 175.29 174.64 1rqi n GLY 261 N 2.58 0.47 0.30 2.59 0.00 -0.41 -4.94 105.19 105.77 1rqi n GLY 261 Ca 0.10 -0.63 -0.07 0.00 0.00 0.00 0.00 46.02 45.42 1rqi n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rqi h ALA 262 N 0.00 0.93 -0.09 4.61 0.00 -1.80 -2.03 119.26 120.88 1rqi h ALA 262 Ca 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1rqi h ALA 262 Cb 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1rqi h ALA 262 CO 0.00 0.64 0.04 -0.44 0.00 0.00 0.00 179.25 179.48 1rqi h ASP 263 N 0.88 0.12 -0.23 0.00 3.32 -1.89 -2.76 116.42 115.85 1rqi h ASP 263 Ca 0.16 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1rqi h ASP 263 Cb 0.54 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1rqi h ASP 263 CO 0.03 0.24 0.10 1.56 -1.72 0.00 0.00 179.24 179.45 1rqi h GLN 264 N -0.01 0.39 -0.01 3.56 7.50 -1.89 -2.12 115.11 122.54 1rqi h GLN 264 Ca 0.03 -0.05 -0.10 0.00 0.50 0.00 0.00 58.65 59.04 1rqi h GLN 264 Cb 0.16 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.60 1rqi h GLN 264 CO -0.00 0.34 -0.45 0.37 -1.50 0.00 0.00 178.83 177.58 1rqi h GLN 265 N 0.39 0.02 -0.08 1.46 4.15 -1.11 -3.18 115.11 116.77 1rqi h GLN 265 Ca 0.10 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1rqi h GLN 265 Cb 0.10 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.79 1rqi h GLN 265 CO -0.01 0.47 0.00 1.28 -1.93 0.00 0.00 178.83 178.64 1rqi n LEU 266 N -4.00 2.77 -1.48 -2.39 4.77 -0.95 -4.99 117.00 110.73 1rqi n LEU 266 Ca -0.02 -1.09 -0.11 0.00 -0.03 0.00 0.00 56.01 54.76 1rqi n LEU 266 Cb 0.48 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.54 1rqi n LEU 266 CO 0.40 0.50 -0.07 0.61 -1.33 0.00 0.00 177.39 177.50 1rqi n GLY 267 N 1.15 -0.03 3.77 -0.72 0.00 -0.84 -4.36 105.19 104.16 1rqi n GLY 267 Ca 0.13 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 1rqi n GLY 267 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rqi s LYS 268 N -4.84 4.21 -0.42 1.61 -0.14 -0.92 -0.67 119.74 118.56 1rqi s LYS 268 Ca 0.08 2.17 -0.29 0.00 -1.36 0.00 0.00 55.97 56.57 1rqi s LYS 268 Cb -0.03 -2.94 0.02 0.00 -1.68 0.00 0.00 37.83 33.20 1rqi s LYS 268 CO 0.10 -0.30 1.24 -1.12 -0.76 0.00 0.00 175.35 174.50 1rqi s SER 269 N -0.61 6.57 0.28 2.83 0.01 -1.26 -4.87 113.70 116.66 1rqi s SER 269 Ca 0.52 0.72 0.04 0.00 1.31 0.00 0.00 55.95 58.54 1rqi s SER 269 Cb -0.39 -2.55 -0.06 0.00 0.21 0.00 0.00 66.02 63.24 1rqi s SER 269 CO 0.51 -1.25 0.01 0.42 0.41 0.00 0.00 173.24 173.34 1rqi s THR 270 N 4.68 1.23 0.06 1.44 -4.23 -1.26 -5.03 115.64 112.52 1rqi s THR 270 Ca 0.53 -2.04 -0.29 0.00 -1.18 0.00 0.00 61.69 58.71 1rqi s THR 270 Cb -0.11 -2.57 -0.17 0.00 1.34 0.00 0.00 72.50 70.99 1rqi s THR 270 CO 0.29 -0.17 1.56 1.88 -0.54 0.00 0.00 174.62 177.65 1rqi h TYR 271 N 2.27 -0.52 -0.48 3.99 0.05 -1.93 -2.40 116.97 117.96 1rqi h TYR 271 Ca -0.40 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.36 1rqi h TYR 271 Cb 1.24 0.17 -0.02 0.00 1.01 0.00 0.00 36.73 39.12 1rqi h TYR 271 CO 0.60 -0.27 0.27 -1.35 -1.05 0.00 0.00 178.16 176.35 1rqi h PRO 272 N -0.64 0.65 -0.54 4.88 0.11 -1.89 0.15 132.00 134.71 1rqi h PRO 272 Ca -0.06 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 1rqi h PRO 272 Cb 0.47 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.42 1rqi h PRO 272 CO 0.09 0.47 0.27 0.00 -0.21 0.00 0.00 178.00 178.63 1rqi h ALA 273 N 1.64 0.70 0.11 -0.75 0.00 -1.86 -0.25 119.26 118.85 1rqi h ALA 273 Ca 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1rqi h ALA 273 Cb 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1rqi h ALA 273 CO -0.03 0.25 -0.05 1.25 0.00 0.00 0.00 179.25 180.67 1rqi h LEU 274 N 0.73 -0.12 -0.28 0.00 5.85 -1.08 -3.39 115.31 117.01 1rqi h LEU 274 Ca 0.19 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1rqi h LEU 274 Cb 0.10 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1rqi h LEU 274 CO -0.03 0.51 -0.80 0.18 -0.34 0.00 0.00 178.44 177.96 1rqi n LEU 275 N -4.84 1.24 -0.14 2.25 4.77 0.49 -5.09 117.00 115.68 1rqi n LEU 275 Ca -0.07 -0.53 0.02 0.00 -0.03 0.00 0.00 56.01 55.40 1rqi n LEU 275 Cb 0.27 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 1rqi n LEU 275 CO 0.23 0.27 -0.04 0.61 -1.33 0.00 0.00 177.39 177.14 1rqi n GLY 276 N 1.47 -1.86 0.12 -0.72 0.00 -0.11 -4.29 105.19 99.82 1rqi n GLY 276 Ca 0.06 -1.47 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 1rqi n GLY 276 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rqi h LEU 277 N -0.13 0.34 -0.49 0.99 3.38 -1.92 -2.52 115.31 114.97 1rqi h LEU 277 Ca -0.01 -0.51 0.09 0.00 0.09 0.00 0.00 57.88 57.54 1rqi h LEU 277 Cb 0.13 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.71 1rqi h LEU 277 CO 0.00 0.79 0.03 -0.08 0.09 0.00 0.00 178.44 179.27 1rqi h GLU 278 N -0.10 0.14 0.02 1.13 4.81 -1.97 -0.61 114.58 118.00 1rqi h GLU 278 Ca 0.01 -0.01 -0.22 0.00 -0.13 0.00 0.00 59.36 59.01 1rqi h GLU 278 Cb 0.71 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.05 1rqi h GLU 278 CO 0.04 0.10 -0.96 1.96 -0.73 0.00 0.00 179.01 179.42 1rqi h GLN 279 N 0.15 0.32 -0.28 1.92 4.20 -1.74 -1.60 115.11 118.08 1rqi h GLN 279 Ca 0.24 -0.37 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 1rqi h GLN 279 Cb 0.36 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1rqi h GLN 279 CO -0.38 1.07 0.07 0.00 -0.67 0.00 0.00 178.83 178.91 1rqi h ALA 280 N 0.80 0.37 -0.83 3.87 0.00 -1.31 -1.66 119.26 120.50 1rqi h ALA 280 Ca -0.07 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.78 1rqi h ALA 280 Cb 1.60 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 19.20 1rqi h ALA 280 CO 0.16 0.03 0.46 0.00 0.00 0.00 0.00 179.25 179.90 1rqi h ARG 281 N 0.29 0.71 -0.29 0.00 3.08 -0.99 -1.24 114.38 115.94 1rqi h ARG 281 Ca 0.09 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.96 1rqi h ARG 281 Cb 0.29 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1rqi h ARG 281 CO 0.00 0.47 -0.39 -0.22 -1.07 0.00 0.00 179.97 178.76 1rqi h LYS 282 N 0.73 0.67 -0.45 0.04 1.63 -1.14 -1.42 116.57 116.64 1rqi h LYS 282 Ca 0.42 -0.34 -0.10 0.00 -0.85 0.00 0.00 60.65 59.77 1rqi h LYS 282 Cb 0.45 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.07 1rqi h LYS 282 CO -0.28 0.95 -0.12 0.87 -3.45 0.00 0.00 179.45 177.42 1rqi h LYS 283 N 0.55 0.83 -0.23 1.90 1.79 -0.47 -0.96 116.57 119.98 1rqi h LYS 283 Ca 0.05 -0.29 -0.03 0.00 -2.18 0.00 0.00 60.65 58.20 1rqi h LYS 283 Cb 0.92 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.50 1rqi h LYS 283 CO 0.08 0.91 0.03 0.00 -1.08 0.00 0.00 179.45 179.39 1rqi h ALA 284 N 1.12 0.30 -0.70 3.86 0.00 -1.01 -1.97 119.26 120.87 1rqi h ALA 284 Ca 0.12 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.95 1rqi h ALA 284 Cb 0.62 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 1rqi h ALA 284 CO 0.04 -0.01 0.31 0.00 0.00 0.00 0.00 179.25 179.60 1rqi h ARG 285 N 0.18 0.50 -0.28 0.00 3.08 -1.10 -2.28 114.38 114.49 1rqi h ARG 285 Ca 0.07 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 59.97 1rqi h ARG 285 Cb 0.34 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1rqi h ARG 285 CO 0.01 0.33 -0.31 -0.44 -1.07 0.00 0.00 179.97 178.49 1rqi h ASP 286 N 0.52 0.61 0.33 7.04 3.45 -1.01 -0.98 116.42 126.37 1rqi h ASP 286 Ca 0.36 -0.24 -0.14 0.00 0.43 0.00 0.00 57.03 57.45 1rqi h ASP 286 Cb 0.44 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.03 1rqi h ASP 286 CO -0.31 0.88 -0.55 -0.07 -1.57 0.00 0.00 179.24 177.62 1rqi h LEU 287 N 0.50 0.27 -0.03 1.55 3.38 -1.00 -2.10 115.31 117.87 1rqi h LEU 287 Ca 0.06 -0.14 -0.26 0.00 0.09 0.00 0.00 57.88 57.63 1rqi h LEU 287 Cb 0.79 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 41.48 1rqi h LEU 287 CO 0.06 0.76 -1.02 0.40 0.09 0.00 0.00 178.44 178.74 1rqi h ILE 288 N 0.18 1.30 -0.84 1.22 1.08 -1.24 -0.31 117.51 118.91 1rqi h ILE 288 Ca 0.00 -2.27 0.21 0.00 -0.39 0.00 0.00 64.86 62.40 1rqi h ILE 288 Cb 1.03 2.38 -0.15 0.00 -3.07 0.00 0.00 36.82 37.01 1rqi h ILE 288 CO 0.09 0.70 0.05 -0.78 -0.69 0.00 0.00 178.15 177.51 1rqi h ASP 289 N 0.37 -0.32 -0.10 1.72 1.82 -1.07 0.54 116.42 119.38 1rqi h ASP 289 Ca -0.12 0.22 -0.24 0.00 -0.39 0.00 0.00 57.03 56.50 1rqi h ASP 289 Cb 1.67 0.37 0.01 0.00 0.68 0.00 0.00 39.33 42.06 1rqi h ASP 289 CO 0.20 -0.21 -0.88 -0.78 -1.61 0.00 0.00 179.24 175.95 1rqi h ASP 290 N 0.10 0.94 -0.60 2.28 3.58 -1.21 -1.70 116.42 119.81 1rqi h ASP 290 Ca 0.48 -0.67 -0.02 0.00 0.42 0.00 0.00 57.03 57.25 1rqi h ASP 290 Cb 0.91 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.65 1rqi h ASP 290 CO -0.73 1.47 0.33 0.00 -2.88 0.00 0.00 179.24 177.43 1rqi h ALA 291 N 0.49 1.40 0.00 -0.78 0.00 -0.35 -1.55 119.26 118.47 1rqi h ALA 291 Ca -0.08 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 1rqi h ALA 291 Cb 1.52 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1rqi h ALA 291 CO 0.18 0.49 -0.80 0.00 0.00 0.00 0.00 179.25 179.12 1rqi h ARG 292 N 0.88 0.00 -0.89 0.00 3.08 -0.80 -2.77 114.38 113.88 1rqi h ARG 292 Ca 0.22 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 1rqi h ARG 292 Cb 0.05 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 1rqi h ARG 292 CO -0.03 0.80 0.54 1.96 -1.07 0.00 0.00 179.97 182.17 1rqi h GLN 293 N 0.00 1.21 -0.44 0.04 1.08 -0.52 -2.41 115.11 114.07 1rqi h GLN 293 Ca -0.01 -0.10 -0.10 0.00 -1.45 0.00 0.00 58.65 56.99 1rqi h GLN 293 Cb 1.56 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 28.72 1rqi h GLN 293 CO 0.10 0.84 -0.11 0.77 -0.95 0.00 0.00 178.83 179.48 1rqi h SER 294 N 1.23 0.86 0.49 1.46 0.02 -1.21 -2.91 113.55 113.48 1rqi h SER 294 Ca 0.32 -0.36 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1rqi h SER 294 Cb -0.06 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.24 1rqi h SER 294 CO -0.06 1.02 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.55 1rqi h LEU 295 N 0.68 0.00 -0.53 5.07 3.38 -1.23 -2.17 115.31 120.51 1rqi h LEU 295 Ca 0.11 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 1rqi h LEU 295 Cb 0.65 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1rqi h LEU 295 CO 0.04 0.03 -0.28 0.11 0.09 0.00 0.00 178.44 178.44 1rqi h LYS 296 N 0.00 0.89 -0.34 1.13 1.57 -1.23 -1.62 116.57 116.97 1rqi h LYS 296 Ca -0.00 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1rqi h LYS 296 Cb 0.29 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1rqi h LYS 296 CO 0.00 1.05 0.23 1.96 -0.57 0.00 0.00 179.45 182.12 1rqi h GLN 297 N 0.75 0.44 0.08 3.15 4.20 -1.45 -2.16 115.11 120.13 1rqi h GLN 297 Ca 0.09 -0.03 -0.25 0.00 0.06 0.00 0.00 58.65 58.52 1rqi h GLN 297 Cb 0.84 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 1rqi h GLN 297 CO 0.07 0.29 -1.12 -0.07 -0.67 0.00 0.00 178.83 177.34 1rqi h LEU 298 N 0.46 0.31 -0.99 1.46 3.38 -1.47 -3.22 115.31 115.23 1rqi h LEU 298 Ca 0.13 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1rqi h LEU 298 Cb -0.05 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1rqi h LEU 298 CO -0.03 1.22 0.00 0.00 0.09 0.00 0.00 178.44 179.72 1rqi h ALA 299 N 0.74 1.00 0.00 1.53 0.00 -1.06 -2.71 119.26 118.76 1rqi h ALA 299 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1rqi h ALA 299 Cb 1.84 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1rqi h ALA 299 CO 0.18 0.00 -0.41 1.49 0.00 0.00 0.00 179.25 180.50 1rqi h GLU 300 N 0.00 0.00 -0.47 0.00 4.81 -1.40 -2.48 114.58 115.04 1rqi h GLU 300 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1rqi h GLU 300 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1rqi h GLU 300 CO 0.00 0.41 0.00 1.04 -0.73 0.00 0.00 179.01 179.73 1rqi n GLN 301 N -3.46 2.15 -3.30 1.92 6.02 -1.04 -4.92 117.38 114.75 1rqi n GLN 301 Ca 0.00 -1.48 -0.17 0.00 -0.01 0.00 0.00 57.00 55.33 1rqi n GLN 301 Cb 0.56 -1.42 0.06 0.00 1.02 0.00 0.00 30.24 30.46 1rqi n GLN 301 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1rqi n SER 302 N 0.61 -4.76 -4.83 1.08 7.64 -0.93 -5.04 113.62 107.38 1rqi n SER 302 Ca 0.14 -0.42 -0.36 0.00 1.01 0.00 0.00 58.87 59.23 1rqi n SER 302 Cb 0.42 -3.98 -0.07 0.00 -1.01 0.00 0.00 64.21 59.57 1rqi n SER 302 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1rqi s LEU 303 N -5.74 4.28 -0.62 -3.43 1.43 -1.12 -5.04 118.68 108.44 1rqi s LEU 303 Ca 0.37 0.39 -0.28 0.00 -1.03 0.00 0.00 54.13 53.58 1rqi s LEU 303 Cb -0.16 -2.05 0.03 0.00 0.03 0.00 0.00 46.19 44.03 1rqi s LEU 303 CO 0.56 0.36 1.27 -0.62 0.23 0.00 0.00 176.35 178.14 1rqi s ASP 304 N -0.72 6.30 0.00 2.29 -1.08 -1.26 -3.99 116.67 118.21 1rqi s ASP 304 Ca 0.13 -0.01 0.24 0.00 -0.52 0.00 0.00 52.55 52.39 1rqi s ASP 304 Cb -0.12 -2.55 0.61 0.00 -1.46 0.00 0.00 42.92 39.40 1rqi s ASP 304 CO 0.03 -1.63 1.49 0.35 0.52 0.00 0.00 175.17 175.92 1rqi n THR 305 N 6.64 0.20 -0.36 1.71 -2.24 -1.26 -4.60 114.28 114.37 1rqi n THR 305 Ca 0.08 -0.47 0.06 0.00 -2.27 0.00 0.00 64.05 61.46 1rqi n THR 305 Cb 0.49 0.80 0.23 0.00 -2.10 0.00 0.00 70.33 69.75 1rqi n THR 305 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1rqi h SER 306 N 3.37 0.94 -0.11 3.42 4.64 -1.98 0.32 113.55 124.15 1rqi h SER 306 Ca 0.00 0.04 -0.13 0.00 -0.47 0.00 0.00 61.79 61.23 1rqi h SER 306 Cb 0.73 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1rqi h SER 306 CO 0.00 0.52 -0.36 0.00 -0.87 0.00 0.00 176.83 176.12 1rqi h ALA 307 N 1.53 0.84 0.00 5.18 0.00 -1.96 -0.95 119.26 123.91 1rqi h ALA 307 Ca 0.48 -0.42 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1rqi h ALA 307 Cb 0.43 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1rqi h ALA 307 CO -0.24 0.64 -0.77 -0.07 0.00 0.00 0.00 179.25 178.80 1rqi h LEU 308 N 0.52 0.00 0.17 0.00 3.38 -1.64 -1.81 115.31 115.94 1rqi h LEU 308 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1rqi h LEU 308 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1rqi h LEU 308 CO 0.08 0.77 -0.08 -0.33 0.09 0.00 0.00 178.44 178.97 1rqi h GLU 309 N 0.00 -0.22 -0.81 1.13 5.08 -0.84 -1.88 114.58 117.04 1rqi h GLU 309 Ca -0.01 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1rqi h GLU 309 Cb 1.52 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.78 1rqi h GLU 309 CO 0.10 -0.12 0.42 0.00 -1.00 0.00 0.00 179.01 178.42 1rqi h ALA 310 N 0.55 1.22 -0.11 3.43 0.00 -1.13 -2.48 119.26 120.74 1rqi h ALA 310 Ca -0.02 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 1rqi h ALA 310 Cb 0.21 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1rqi h ALA 310 CO 0.04 0.62 -0.50 1.25 0.00 0.00 0.00 179.25 180.66 1rqi h LEU 311 N 1.14 0.63 -0.79 0.00 5.85 -1.32 -1.03 115.31 119.78 1rqi h LEU 311 Ca 0.28 -0.63 0.18 0.00 0.84 0.00 0.00 57.88 58.55 1rqi h LEU 311 Cb 0.06 -0.19 -0.11 0.00 0.37 0.00 0.00 40.66 40.79 1rqi h LEU 311 CO -0.04 1.16 0.25 0.00 -0.34 0.00 0.00 178.44 179.47 1rqi h ALA 312 N 0.49 1.11 -0.20 1.25 0.00 -1.15 -0.26 119.26 120.50 1rqi h ALA 312 Ca -0.03 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1rqi h ALA 312 Cb 1.14 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1rqi h ALA 312 CO 0.10 -0.32 -0.20 -0.44 0.00 0.00 0.00 179.25 178.39 1rqi h ASP 313 N 0.33 0.52 -0.09 0.00 5.19 -1.21 -2.92 116.42 118.23 1rqi h ASP 313 Ca 0.46 -0.48 0.03 0.00 -0.62 0.00 0.00 57.03 56.42 1rqi h ASP 313 Cb 0.81 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 40.17 1rqi h ASP 313 CO -0.51 0.89 0.07 0.22 -3.12 0.00 0.00 179.24 176.79 1rqi h TYR 314 N 0.16 0.00 0.00 4.55 5.03 -0.26 -1.82 116.97 124.62 1rqi h TYR 314 Ca 0.03 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 1rqi h TYR 314 Cb 0.75 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.02 1rqi h TYR 314 CO 0.08 0.00 -0.03 0.82 -1.32 0.00 0.00 178.16 177.71 1rqi h ILE 315 N 0.00 0.54 -0.00 1.81 2.04 -0.87 -1.49 117.51 119.53 1rqi h ILE 315 Ca 0.04 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1rqi h ILE 315 Cb 0.17 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1rqi h ILE 315 CO -0.00 0.03 -0.18 2.30 0.00 0.00 0.00 178.15 180.30 1rqi n ILE 316 N -3.79 0.00 0.43 -0.67 -5.35 -0.90 -4.59 119.36 104.48 1rqi n ILE 316 Ca -0.03 -0.41 0.11 0.00 -0.27 0.00 0.00 62.75 62.16 1rqi n ILE 316 Cb 0.12 1.02 0.03 0.00 -1.74 0.00 0.00 39.64 39.07 1rqi n ILE 316 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1rqi n GLN 317 N -0.88 0.38 -1.80 6.28 6.02 -0.73 -4.98 117.38 121.67 1rqi n GLN 317 Ca 0.01 0.03 -0.34 0.00 -0.01 0.00 0.00 57.00 56.69 1rqi n GLN 317 Cb 0.08 -1.66 0.05 0.00 1.02 0.00 0.00 30.24 29.73 1rqi n GLN 317 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1rqi s ARG 318 N -3.25 2.77 0.00 -1.09 1.70 -0.58 -4.96 118.95 113.54 1rqi s ARG 318 Ca 0.02 1.56 0.12 0.00 -0.47 0.00 0.00 55.73 56.96 1rqi s ARG 318 Cb 0.13 -1.93 0.25 0.00 -0.57 0.00 0.00 34.95 32.83 1rqi s ARG 318 CO 0.79 -1.30 1.14 0.09 -1.08 0.00 0.00 175.30 174.93 1rqi n ASN 319 N -2.19 2.65 0.00 -2.89 3.02 -1.26 -5.06 115.26 109.53 1rqi n ASN 319 Ca 0.12 -1.82 0.00 0.00 -0.03 0.00 0.00 54.58 52.84 1rqi n ASN 319 Cb 0.51 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 1rqi n ASN 319 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93