#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rqj s ASP 23 N 0.00 6.20 0.02 6.12 -1.08 -1.26 -4.96 116.67 121.71 1rqj s ASP 23 Ca 0.00 -1.20 -0.23 0.00 -0.52 0.00 0.00 52.55 50.60 1rqj s ASP 23 Cb 0.00 -2.30 -0.17 0.00 -1.46 0.00 0.00 42.92 39.00 1rqj s ASP 23 CO 0.00 -1.01 1.36 0.15 0.52 0.00 0.00 175.17 176.19 1rqj h PHE 24 N 9.10 0.19 -1.00 -5.34 3.57 -2.00 -2.33 116.94 119.13 1rqj h PHE 24 Ca -0.29 -0.05 0.18 0.00 3.53 0.00 0.00 57.97 61.35 1rqj h PHE 24 Cb 1.09 -0.04 -0.10 0.00 2.79 0.00 0.00 35.95 39.69 1rqj h PHE 24 CO 0.80 0.54 0.62 -1.35 -2.23 0.00 0.00 178.31 176.68 1rqj h PRO 25 N -0.22 0.76 -0.25 6.41 0.11 -1.99 -0.16 132.00 136.65 1rqj h PRO 25 Ca 0.02 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.95 1rqj h PRO 25 Cb 0.49 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 1rqj h PRO 25 CO 0.01 0.50 -0.37 1.96 -0.21 0.00 0.00 178.00 179.89 1rqj h GLN 26 N 0.78 0.57 -0.31 1.05 4.20 -1.94 -2.10 115.11 117.35 1rqj h GLN 26 Ca 0.56 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.95 1rqj h GLN 26 Cb 0.85 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 1rqj h GLN 26 CO -0.34 0.85 0.01 1.96 -0.67 0.00 0.00 178.83 180.63 1rqj h GLN 27 N 0.47 0.54 -0.49 1.46 1.08 -0.76 -0.83 115.11 116.58 1rqj h GLN 27 Ca 0.05 -0.17 0.06 0.00 -1.45 0.00 0.00 58.65 57.14 1rqj h GLN 27 Cb 0.86 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 28.19 1rqj h GLN 27 CO 0.07 0.67 0.19 -0.07 -0.95 0.00 0.00 178.83 178.75 1rqj h LEU 28 N 0.34 0.21 -0.50 1.46 3.38 -0.99 0.32 115.31 119.54 1rqj h LEU 28 Ca 0.09 0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 1rqj h LEU 28 Cb 0.43 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1rqj h LEU 28 CO 0.01 0.15 -0.43 -0.08 0.09 0.00 0.00 178.44 178.18 1rqj h GLU 29 N 0.38 0.75 -0.60 1.13 4.57 -1.26 -0.42 114.58 119.12 1rqj h GLU 29 Ca 0.23 -0.41 0.06 0.00 -1.18 0.00 0.00 59.36 58.06 1rqj h GLU 29 Cb 0.22 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.78 1rqj h GLU 29 CO -0.22 1.03 0.31 0.00 -1.18 0.00 0.00 179.01 178.95 1rqj h ALA 30 N 0.91 0.80 -0.52 2.92 0.00 -0.84 -1.85 119.26 120.67 1rqj h ALA 30 Ca 0.04 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1rqj h ALA 30 Cb 0.99 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1rqj h ALA 30 CO 0.09 -0.04 0.15 0.00 0.00 0.00 0.00 179.25 179.45 1rqj h VAL 32 N 0.71 0.99 -0.28 0.00 2.07 -0.68 0.51 116.25 119.58 1rqj h VAL 32 Ca 0.17 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 1rqj h VAL 32 Cb 0.30 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1rqj h VAL 32 CO -0.00 0.12 -0.02 0.11 0.02 0.00 0.00 177.57 177.79 1rqj h LYS 33 N 0.63 0.50 0.06 1.57 1.57 -1.19 -1.10 116.57 118.61 1rqj h LYS 33 Ca 0.26 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1rqj h LYS 33 Cb 0.13 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1rqj h LYS 33 CO -0.15 0.67 -0.03 0.37 -0.57 0.00 0.00 179.45 179.74 1rqj h GLN 34 N 0.27 -0.07 -0.63 3.15 5.75 -0.85 -1.62 115.11 121.11 1rqj h GLN 34 Ca 0.08 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.52 1rqj h GLN 34 Cb 0.46 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.00 1rqj h GLN 34 CO 0.02 -0.04 0.13 0.00 -2.65 0.00 0.00 178.83 176.29 1rqj h ALA 35 N 0.87 1.05 -0.59 3.38 0.00 -0.88 -1.23 119.26 121.86 1rqj h ALA 35 Ca -0.01 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 1rqj h ALA 35 Cb 0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1rqj h ALA 35 CO 0.01 0.62 0.08 -0.91 0.00 0.00 0.00 179.25 179.05 1rqj h ASN 36 N 0.95 0.95 -0.28 0.00 2.35 -1.08 0.96 115.58 119.43 1rqj h ASN 36 Ca 0.20 -0.27 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1rqj h ASN 36 Cb 0.36 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1rqj h ASN 36 CO 0.00 0.98 0.17 -0.61 -1.65 0.00 0.00 177.43 176.33 1rqj h GLN 37 N 0.89 0.38 0.18 0.81 4.15 -1.04 -0.08 115.11 120.40 1rqj h GLN 37 Ca 0.18 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.57 1rqj h GLN 37 Cb 0.44 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 1rqj h GLN 37 CO 0.01 0.29 -0.18 0.00 -1.93 0.00 0.00 178.83 177.02 1rqj h ALA 38 N 1.07 -0.37 -0.44 3.38 0.00 -1.00 -1.31 119.26 120.59 1rqj h ALA 38 Ca 0.10 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1rqj h ALA 38 Cb 0.00 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1rqj h ALA 38 CO -0.02 -0.73 0.20 -0.07 0.00 0.00 0.00 179.25 178.63 1rqj h LEU 39 N -0.40 0.28 -1.11 0.00 3.38 -0.72 -2.33 115.31 114.42 1rqj h LEU 39 Ca 0.00 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1rqj h LEU 39 Cb 0.37 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1rqj h LEU 39 CO -0.04 0.20 0.60 0.28 0.09 0.00 0.00 178.44 179.56 1rqj h SER 40 N 0.41 1.04 0.21 -0.43 0.02 -0.85 -0.89 113.55 113.07 1rqj h SER 40 Ca 0.20 -0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 61.00 1rqj h SER 40 Cb 0.13 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1rqj h SER 40 CO -0.16 0.75 -0.44 0.03 -1.14 0.00 0.00 176.83 175.87 1rqj h ARG 41 N 1.22 0.29 0.00 3.45 3.08 -0.73 0.00 114.38 121.69 1rqj h ARG 41 Ca 0.33 -0.15 -0.09 0.00 0.07 0.00 0.00 59.98 60.14 1rqj h ARG 41 Cb -0.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1rqj h ARG 41 CO -0.07 0.68 -0.45 0.74 -1.07 0.00 0.00 179.97 179.80 1rqj h PHE 42 N 0.24 0.00 0.01 3.04 0.05 -0.98 -3.27 116.94 116.02 1rqj h PHE 42 Ca 0.02 0.00 -0.24 0.00 3.82 0.00 0.00 57.97 61.56 1rqj h PHE 42 Cb 0.88 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 38.80 1rqj h PHE 42 CO 0.02 0.45 -1.26 0.82 -0.18 0.00 0.00 178.31 178.15 1rqj h ILE 43 N 0.00 1.41 -0.67 -0.55 2.04 -0.89 -3.40 117.51 115.45 1rqj h ILE 43 Ca -0.00 -3.15 -0.03 0.00 1.00 0.00 0.00 64.86 62.68 1rqj h ILE 43 Cb 1.31 2.72 -0.03 0.00 -0.74 0.00 0.00 36.82 40.08 1rqj h ILE 43 CO 0.06 0.82 0.31 0.00 0.00 0.00 0.00 178.15 179.34 1rqj h ALA 44 N 0.94 1.30 0.00 1.87 0.00 -1.05 -2.30 119.26 120.02 1rqj h ALA 44 Ca -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1rqj h ALA 44 Cb 1.87 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1rqj h ALA 44 CO 0.12 0.54 0.00 -0.35 0.00 0.00 0.00 179.25 179.56 1rqj n PRO 45 N -4.34 0.58 -2.30 0.00 -0.05 -1.26 -4.86 135.00 122.78 1rqj n PRO 45 Ca 0.06 0.02 -0.37 0.00 -0.05 0.00 0.00 63.50 63.16 1rqj n PRO 45 Cb 0.14 -1.50 -0.02 0.00 -0.05 0.00 0.00 33.50 32.07 1rqj n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 1rqj s LEU 46 N -2.32 4.07 1.00 1.53 1.43 -0.87 -5.03 118.68 118.49 1rqj s LEU 46 Ca 0.32 2.28 -0.14 0.00 -1.03 0.00 0.00 54.13 55.56 1rqj s LEU 46 Cb 0.18 -4.19 0.19 0.00 0.03 0.00 0.00 46.19 42.40 1rqj s LEU 46 CO 0.36 -0.81 1.14 -2.16 0.23 0.00 0.00 176.35 175.10 1rqj s PRO 47 N -2.59 0.41 -1.27 1.29 0.04 -1.26 -4.24 135.00 127.38 1rqj s PRO 47 Ca 0.61 0.21 -0.01 0.00 0.04 0.00 0.00 61.00 61.85 1rqj s PRO 47 Cb -0.28 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1rqj s PRO 47 CO 0.35 -2.67 0.16 1.19 0.04 0.00 0.00 177.00 176.06 1rqj n PHE 48 N -4.08 -0.99 -1.76 0.56 3.72 -1.26 -4.98 117.46 108.68 1rqj n PHE 48 Ca 0.08 0.14 -0.40 0.00 -0.05 0.00 0.00 57.45 57.22 1rqj n PHE 48 Cb 0.59 -3.36 0.02 0.00 -0.94 0.00 0.00 39.48 35.79 1rqj n PHE 48 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1rqj n GLN 49 N -2.74 2.25 -2.50 -1.08 1.13 -1.26 -2.57 117.38 110.62 1rqj n GLN 49 Ca -0.15 0.80 -0.18 0.00 -1.94 0.00 0.00 57.00 55.53 1rqj n GLN 49 Cb 0.62 -2.61 0.00 0.00 0.11 0.00 0.00 30.24 28.36 1rqj n GLN 49 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1rqj n ASN 50 N -0.12 -5.23 -4.61 1.08 3.02 -1.26 -5.02 115.26 103.12 1rqj n ASN 50 Ca 0.05 -0.08 -0.24 0.00 -0.03 0.00 0.00 54.58 54.28 1rqj n ASN 50 Cb 0.41 -4.24 -0.08 0.00 -0.61 0.00 0.00 39.78 35.26 1rqj n ASN 50 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1rqj s THR 51 N -2.94 3.28 0.26 3.41 -4.23 -1.06 -5.00 115.64 109.37 1rqj s THR 51 Ca 0.07 -1.91 -0.01 0.00 -1.18 0.00 0.00 61.69 58.66 1rqj s THR 51 Cb -0.03 -2.72 0.24 0.00 1.34 0.00 0.00 72.50 71.32 1rqj s THR 51 CO 0.09 -0.32 1.76 -0.65 -0.54 0.00 0.00 174.62 174.96 1rqj h PRO 52 N 2.16 0.58 -0.49 3.99 0.11 -1.96 -0.93 132.00 135.47 1rqj h PRO 52 Ca -0.44 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1rqj h PRO 52 Cb 1.24 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1rqj h PRO 52 CO 0.59 0.38 0.02 -0.24 -0.21 0.00 0.00 178.00 178.54 1rqj h VAL 53 N 0.60 1.26 -0.27 3.15 3.04 -1.91 0.13 116.25 122.25 1rqj h VAL 53 Ca 0.46 -1.04 -0.17 0.00 -1.01 0.00 0.00 66.70 64.93 1rqj h VAL 53 Cb 0.65 0.96 -0.00 0.00 -2.01 0.00 0.00 31.29 30.89 1rqj h VAL 53 CO -0.37 0.37 -0.52 0.58 -1.01 0.00 0.00 177.57 176.62 1rqj h VAL 54 N 0.72 1.29 -0.35 1.51 2.07 -1.71 -1.07 116.25 118.71 1rqj h VAL 54 Ca 0.14 -1.72 -0.04 0.00 0.82 0.00 0.00 66.70 65.91 1rqj h VAL 54 Cb 0.49 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1rqj h VAL 54 CO 0.02 0.55 0.05 -0.33 0.02 0.00 0.00 177.57 177.89 1rqj h GLU 55 N 0.61 0.52 -0.41 1.57 5.08 -1.04 -0.29 114.58 120.63 1rqj h GLU 55 Ca 0.02 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1rqj h GLU 55 Cb 1.10 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 1rqj h GLU 55 CO 0.11 0.51 0.03 1.15 -1.00 0.00 0.00 179.01 179.82 1rqj h THR 56 N 0.51 1.25 -0.62 1.13 2.02 -0.46 -0.59 112.91 116.16 1rqj h THR 56 Ca 0.12 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.35 1rqj h THR 56 Cb 0.25 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 1rqj h THR 56 CO 0.00 0.32 0.40 0.24 0.37 0.00 0.00 175.52 176.86 1rqj h MET 57 N 0.53 0.83 -0.42 6.66 2.86 -0.50 -0.61 114.93 124.28 1rqj h MET 57 Ca 0.12 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.58 1rqj h MET 57 Cb 0.43 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1rqj h MET 57 CO 0.01 0.56 -0.25 1.96 1.06 0.00 0.00 176.91 180.26 1rqj h GLN 58 N 0.84 0.86 0.13 1.72 4.20 -0.90 -0.10 115.11 121.87 1rqj h GLN 58 Ca 0.23 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 1rqj h GLN 58 Cb -0.08 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.67 1rqj h GLN 58 CO -0.05 1.01 -0.06 -0.92 -0.67 0.00 0.00 178.83 178.14 1rqj h TYR 59 N 0.74 -0.16 0.00 2.96 3.20 -0.87 -0.77 116.97 122.06 1rqj h TYR 59 Ca 0.09 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 1rqj h TYR 59 Cb 0.79 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 1rqj h TYR 59 CO 0.05 0.11 -0.33 0.78 -1.64 0.00 0.00 178.16 177.12 1rqj h GLY 60 N -0.43 0.00 0.49 1.82 0.00 -1.04 -2.68 103.07 101.24 1rqj h GLY 60 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.96 1rqj h GLY 60 CO 0.03 0.00 -2.07 0.00 0.00 0.00 0.00 176.54 174.50 1rqj n ALA 61 N -2.31 1.30 -0.04 3.60 0.00 -0.06 -4.74 120.51 118.27 1rqj n ALA 61 Ca -0.01 -0.89 -0.01 0.00 0.00 0.00 0.00 53.44 52.53 1rqj n ALA 61 Cb 0.46 -0.53 -0.09 0.00 0.00 0.00 0.00 19.45 19.29 1rqj n ALA 61 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1rqj n LEU 62 N -3.16 0.00 -4.45 0.00 4.77 -0.30 -4.90 117.00 108.96 1rqj n LEU 62 Ca -0.30 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.25 1rqj n LEU 62 Cb 1.06 0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 42.28 1rqj n LEU 62 CO 0.40 0.17 0.86 -0.22 -1.33 0.00 0.00 177.39 177.27 1rqj s LEU 63 N -4.42 4.63 0.00 2.23 2.96 -1.01 -4.86 118.68 118.21 1rqj s LEU 63 Ca -0.05 -1.43 0.00 0.00 -0.22 0.00 0.00 54.13 52.43 1rqj s LEU 63 Cb 0.05 -2.41 0.00 0.00 0.50 0.00 0.00 46.19 44.32 1rqj s LEU 63 CO 0.45 -1.29 0.00 0.61 -1.32 0.00 0.00 176.35 174.80 1rqj n GLY 64 N 5.47 -0.51 0.00 7.98 0.00 -1.26 -4.92 105.19 111.95 1rqj n GLY 64 Ca 0.08 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.31 1rqj n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rqj n GLY 65 N -0.54 2.24 0.08 -0.02 0.00 -1.26 -4.90 105.19 100.78 1rqj n GLY 65 Ca 0.00 -1.66 0.13 0.00 0.00 0.00 0.00 46.02 44.48 1rqj n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rqj n LYS 66 N 1.85 0.25 -3.88 1.61 5.02 -1.26 -4.95 118.16 116.79 1rqj n LYS 66 Ca 0.00 0.15 -0.29 0.00 -2.02 0.00 0.00 58.31 56.14 1rqj n LYS 66 Cb 0.00 -1.73 0.03 0.00 -0.02 0.00 0.00 35.03 33.31 1rqj n LYS 66 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1rqj n ARG 67 N -2.14 -5.78 0.20 1.97 5.12 -1.26 -4.71 116.66 110.06 1rqj n ARG 67 Ca 0.05 0.62 0.07 0.00 -1.93 0.00 0.00 57.85 56.66 1rqj n ARG 67 Cb 0.43 -5.53 0.36 0.00 -1.16 0.00 0.00 32.46 26.56 1rqj n ARG 67 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1rqj h LEU 68 N -2.15 0.00 -0.02 0.55 3.38 -1.98 -1.32 115.31 113.77 1rqj h LEU 68 Ca -0.58 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.37 1rqj h LEU 68 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1rqj h LEU 68 CO 0.66 0.31 -0.06 0.03 0.09 0.00 0.00 178.44 179.47 1rqj h ARG 69 N 0.00 0.09 -0.86 1.13 3.08 -1.97 -0.96 114.38 114.89 1rqj h ARG 69 Ca -0.00 -0.06 0.17 0.00 0.07 0.00 0.00 59.98 60.16 1rqj h ARG 69 Cb 0.88 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.84 1rqj h ARG 69 CO 0.04 0.67 0.41 -1.35 -1.07 0.00 0.00 179.97 178.67 1rqj h PRO 70 N -0.48 0.52 -0.57 0.04 0.11 -1.76 -1.19 132.00 128.66 1rqj h PRO 70 Ca -0.00 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 66.17 1rqj h PRO 70 Cb 0.67 -0.12 -0.07 0.00 0.11 0.00 0.00 31.00 31.59 1rqj h PRO 70 CO 0.01 0.34 0.16 0.35 -0.21 0.00 0.00 178.00 178.66 1rqj h PHE 71 N 0.53 0.28 -0.84 0.65 3.04 -1.02 0.51 116.94 120.09 1rqj h PHE 71 Ca 0.49 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.45 1rqj h PHE 71 Cb 0.80 -0.04 -0.04 0.00 2.56 0.00 0.00 35.95 39.23 1rqj h PHE 71 CO -0.11 0.04 0.44 -0.07 -2.02 0.00 0.00 178.31 176.58 1rqj h LEU 72 N 0.32 1.07 -0.02 0.59 3.38 -0.20 0.40 115.31 120.85 1rqj h LEU 72 Ca 0.29 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1rqj h LEU 72 Cb 0.39 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1rqj h LEU 72 CO -0.33 0.88 0.01 0.58 0.09 0.00 0.00 178.44 179.66 1rqj h VAL 73 N 1.18 1.18 -0.14 1.22 2.07 -0.11 -1.63 116.25 120.02 1rqj h VAL 73 Ca 0.29 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1rqj h VAL 73 Cb 0.07 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1rqj h VAL 73 CO -0.04 0.14 0.06 1.88 0.02 0.00 0.00 177.57 179.62 1rqj h TYR 74 N -0.18 0.22 -0.75 1.57 0.05 -0.83 -1.07 116.97 115.97 1rqj h TYR 74 Ca 0.01 -0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.72 1rqj h TYR 74 Cb 0.22 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 37.86 1rqj h TYR 74 CO -0.00 0.30 0.27 0.00 -1.05 0.00 0.00 178.16 177.67 1rqj h ALA 75 N 0.90 0.98 0.16 3.88 0.00 -0.95 0.16 119.26 124.39 1rqj h ALA 75 Ca 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1rqj h ALA 75 Cb 0.17 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1rqj h ALA 75 CO -0.00 0.64 -0.08 1.15 0.00 0.00 0.00 179.25 180.96 1rqj h THR 76 N 1.11 0.98 -0.96 0.00 2.02 -1.20 -2.52 112.91 112.33 1rqj h THR 76 Ca 0.25 -0.88 0.06 0.00 0.77 0.00 0.00 66.41 66.61 1rqj h THR 76 Cb 0.26 1.50 -0.06 0.00 -1.74 0.00 0.00 68.15 68.10 1rqj h THR 76 CO -0.01 0.20 0.62 1.23 0.37 0.00 0.00 175.52 177.92 1rqj h GLY 77 N -0.65 1.45 1.52 2.16 0.00 -1.12 -2.27 103.07 104.15 1rqj h GLY 77 Ca -0.02 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1rqj h GLY 77 CO 0.04 0.34 0.26 0.45 0.00 0.00 0.00 176.54 177.63 1rqj h HIS 78 N 1.14 0.62 -0.49 5.60 3.86 -0.64 -1.48 115.15 123.75 1rqj h HIS 78 Ca 0.41 -0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.73 1rqj h HIS 78 Cb 0.13 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 1rqj h HIS 78 CO -0.01 0.43 0.34 0.52 0.86 0.00 0.00 177.93 180.07 1rqj h MET 79 N 0.65 0.17 -0.56 2.45 2.86 -0.95 -1.37 114.93 118.17 1rqj h MET 79 Ca 0.17 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1rqj h MET 79 Cb 0.01 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1rqj h MET 79 CO -0.03 0.11 0.00 1.19 1.06 0.00 0.00 176.91 179.24 1rqj n PHE 80 N -4.44 0.74 -1.05 -0.22 3.01 -0.61 -4.64 117.46 110.25 1rqj n PHE 80 Ca 0.08 -0.37 -0.02 0.00 1.01 0.00 0.00 57.45 58.15 1rqj n PHE 80 Cb 0.44 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.91 1rqj n PHE 80 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rqj n GLY 81 N 1.58 0.54 3.78 1.37 0.00 -0.52 -5.01 105.19 106.94 1rqj n GLY 81 Ca 0.22 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 1rqj n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rqj s VAL 82 N -2.05 4.15 0.32 1.61 0.11 -0.88 -4.99 120.40 118.69 1rqj s VAL 82 Ca 0.00 1.75 -0.29 0.00 -2.93 0.00 0.00 61.98 60.51 1rqj s VAL 82 Cb 0.00 -3.95 -0.10 0.00 -1.53 0.00 0.00 36.38 30.80 1rqj s VAL 82 CO 0.00 0.10 1.33 -0.55 -3.33 0.00 0.00 175.10 172.65 1rqj s SER 83 N -1.63 6.73 0.32 3.54 0.15 -1.26 -4.35 113.70 117.20 1rqj s SER 83 Ca 0.52 2.71 0.07 0.00 0.70 0.00 0.00 55.95 59.94 1rqj s SER 83 Cb -0.19 -2.65 0.74 0.00 -1.71 0.00 0.00 66.02 62.22 1rqj s SER 83 CO 0.24 -0.57 1.82 0.74 1.20 0.00 0.00 173.24 176.67 1rqj h THR 84 N 3.09 0.79 -0.62 6.45 2.02 -1.96 -2.37 112.91 120.31 1rqj h THR 84 Ca -0.49 -0.27 -0.05 0.00 0.77 0.00 0.00 66.41 66.38 1rqj h THR 84 Cb 1.23 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 1rqj h THR 84 CO 0.67 0.14 0.20 -1.13 0.37 0.00 0.00 175.52 175.77 1rqj h ASN 85 N 0.78 0.87 0.25 4.18 -1.24 -1.99 -1.38 115.58 117.05 1rqj h ASN 85 Ca 0.52 -0.14 -0.15 0.00 0.71 0.00 0.00 56.30 57.23 1rqj h ASN 85 Cb 0.77 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.59 1rqj h ASN 85 CO -0.29 0.82 -0.59 0.00 -1.29 0.00 0.00 177.43 176.08 1rqj h THR 86 N 0.91 1.36 0.00 -3.57 1.03 -1.72 -3.08 112.91 107.84 1rqj h THR 86 Ca 0.21 -1.92 0.00 0.00 -0.01 0.00 0.00 66.41 64.69 1rqj h THR 86 Cb 0.26 1.93 0.00 0.00 -1.07 0.00 0.00 68.15 69.26 1rqj h THR 86 CO -0.01 0.58 0.00 -0.07 -0.01 0.00 0.00 175.52 176.01 1rqj h LEU 87 N 0.26 0.00 -1.36 0.00 3.38 -0.86 -2.79 115.31 113.94 1rqj h LEU 87 Ca -0.00 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 1rqj h LEU 87 Cb 1.11 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.79 1rqj h LEU 87 CO 0.10 0.00 0.56 0.44 0.09 0.00 0.00 178.44 179.63 1rqj h ASP 88 N 0.00 0.58 0.61 -0.43 3.32 -1.19 -0.27 116.42 119.04 1rqj h ASP 88 Ca 0.00 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1rqj h ASP 88 Cb 0.45 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.93 1rqj h ASP 88 CO 0.00 0.29 -0.29 0.00 -1.72 0.00 0.00 179.24 177.52 1rqj h ALA 89 N 1.61 -0.94 -0.51 3.45 0.00 -1.69 -0.04 119.26 121.15 1rqj h ALA 89 Ca 0.43 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1rqj h ALA 89 Cb 0.78 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1rqj h ALA 89 CO -0.19 -0.88 0.25 -1.00 0.00 0.00 0.00 179.25 177.43 1rqj h PRO 90 N -1.04 0.70 -0.52 0.00 0.13 -1.72 -0.38 132.00 129.16 1rqj h PRO 90 Ca -0.08 -0.08 0.01 0.00 -0.87 0.00 0.00 66.00 64.98 1rqj h PRO 90 Cb 0.62 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 31.59 1rqj h PRO 90 CO 0.14 0.54 0.34 0.00 -0.23 0.00 0.00 178.00 178.78 1rqj h ALA 91 N 1.57 0.66 -0.20 -0.56 0.00 -1.04 -1.17 119.26 118.53 1rqj h ALA 91 Ca 0.18 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 1rqj h ALA 91 Cb 0.06 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1rqj h ALA 91 CO -0.03 0.08 -0.61 0.00 0.00 0.00 0.00 179.25 178.70 1rqj h ALA 92 N 1.20 0.56 -0.05 0.00 0.00 -0.57 -2.34 119.26 118.07 1rqj h ALA 92 Ca 0.20 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1rqj h ALA 92 Cb -0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1rqj h ALA 92 CO -0.05 0.70 0.03 0.00 0.00 0.00 0.00 179.25 179.92 1rqj h ALA 93 N 0.83 0.07 -0.38 0.00 0.00 -0.90 0.14 119.26 119.01 1rqj h ALA 93 Ca -0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1rqj h ALA 93 Cb 1.19 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1rqj h ALA 93 CO 0.12 -0.39 -0.07 -0.39 0.00 0.00 0.00 179.25 178.53 1rqj h VAL 94 N -0.02 1.24 -0.02 0.00 -1.51 -1.21 -1.84 116.25 112.88 1rqj h VAL 94 Ca 0.02 -1.01 -0.12 0.00 -1.23 0.00 0.00 66.70 64.36 1rqj h VAL 94 Cb 0.10 1.02 -0.02 0.00 -2.13 0.00 0.00 31.29 30.26 1rqj h VAL 94 CO -0.00 0.34 -0.56 -0.08 -1.23 0.00 0.00 177.57 176.05 1rqj h GLU 95 N 0.59 0.06 -0.33 5.19 4.57 -1.21 -1.05 114.58 122.41 1rqj h GLU 95 Ca 0.11 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1rqj h GLU 95 Cb 0.48 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 1rqj h GLU 95 CO 0.02 0.60 0.11 0.00 -1.18 0.00 0.00 179.01 178.57 1rqj h ILE 97 N 0.38 1.13 0.04 0.00 1.08 -1.18 -0.82 117.51 118.14 1rqj h ILE 97 Ca 0.11 -0.33 0.01 0.00 -0.39 0.00 0.00 64.86 64.26 1rqj h ILE 97 Cb 0.23 0.72 -0.02 0.00 -3.07 0.00 0.00 36.82 34.68 1rqj h ILE 97 CO -0.00 0.13 -0.11 -0.74 -0.69 0.00 0.00 178.15 176.73 1rqj h HIS 98 N 0.44 -0.29 -0.82 1.37 2.76 -1.01 -0.49 115.15 117.10 1rqj h HIS 98 Ca 0.12 0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.37 1rqj h HIS 98 Cb 0.04 0.12 -0.06 0.00 1.55 0.00 0.00 27.41 29.06 1rqj h HIS 98 CO -0.03 -0.17 0.49 0.00 -1.30 0.00 0.00 177.93 176.92 1rqj h ALA 99 N 0.72 1.14 -0.66 5.26 0.00 -0.52 -1.50 119.26 123.71 1rqj h ALA 99 Ca 0.03 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1rqj h ALA 99 Cb 0.25 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1rqj h ALA 99 CO -0.09 0.19 0.21 -0.92 0.00 0.00 0.00 179.25 178.65 1rqj h TYR 100 N 0.88 1.05 -0.46 0.00 3.20 -0.73 -2.36 116.97 118.55 1rqj h TYR 100 Ca 0.37 -0.10 -0.04 0.00 3.14 0.00 0.00 58.73 62.10 1rqj h TYR 100 Cb 0.23 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 1rqj h TYR 100 CO -0.05 0.85 0.13 0.66 -1.64 0.00 0.00 178.16 178.11 1rqj h SER 101 N 0.95 0.62 0.43 -2.11 4.64 -0.07 -2.46 113.55 115.55 1rqj h SER 101 Ca 0.21 -0.09 -0.22 0.00 -0.47 0.00 0.00 61.79 61.22 1rqj h SER 101 Cb 0.29 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1rqj h SER 101 CO -0.01 0.61 -0.96 -0.07 -0.87 0.00 0.00 176.83 175.53 1rqj h LEU 102 N 0.66 0.45 -0.44 5.97 3.38 -1.20 -1.03 115.31 123.11 1rqj h LEU 102 Ca 0.15 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1rqj h LEU 102 Cb 0.22 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1rqj h LEU 102 CO -0.01 1.19 0.24 0.40 0.09 0.00 0.00 178.44 180.35 1rqj h ILE 103 N 0.18 1.16 0.02 1.22 2.04 -1.01 -1.92 117.51 119.20 1rqj h ILE 103 Ca -0.08 -0.40 -0.21 0.00 1.00 0.00 0.00 64.86 65.17 1rqj h ILE 103 Cb 1.60 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1rqj h ILE 103 CO 0.16 0.17 -0.93 0.45 0.00 0.00 0.00 178.15 177.99 1rqj h HIS 104 N 0.57 0.36 -0.81 1.37 3.86 -1.43 -3.21 115.15 115.86 1rqj h HIS 104 Ca 0.15 -0.21 -0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1rqj h HIS 104 Cb 0.05 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 28.44 1rqj h HIS 104 CO -0.02 1.04 0.49 0.22 0.86 0.00 0.00 177.93 180.52 1rqj h ASP 105 N 0.12 0.96 1.09 2.45 1.82 -0.99 -2.58 116.42 119.30 1rqj h ASP 105 Ca -0.06 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.53 1rqj h ASP 105 Cb 1.58 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 41.35 1rqj h ASP 105 CO 0.15 0.74 0.00 0.47 -1.61 0.00 0.00 179.24 178.98 1rqj n ASP 106 N -4.38 0.51 -4.60 2.28 10.43 -0.74 -0.37 116.55 119.68 1rqj n ASP 106 Ca 0.09 0.57 -0.37 0.00 2.57 0.00 0.00 54.79 57.65 1rqj n ASP 106 Cb 0.06 -0.70 0.06 0.00 1.84 0.00 0.00 41.12 42.38 1rqj n ASP 106 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1rqj n LEU 107 N -2.00 3.40 -0.33 0.64 4.77 -0.97 -1.79 117.00 120.71 1rqj n LEU 107 Ca 0.05 0.75 0.14 0.00 -0.03 0.00 0.00 56.01 56.92 1rqj n LEU 107 Cb 0.33 -1.37 0.33 0.00 -2.33 0.00 0.00 43.42 40.39 1rqj n LEU 107 CO 0.25 -2.05 1.13 -0.65 -1.33 0.00 0.00 177.39 174.74 1rqj h PRO 108 N 0.22 0.55 0.00 3.23 0.11 -1.91 0.80 132.00 135.00 1rqj h PRO 108 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1rqj h PRO 108 Cb 1.36 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1rqj h PRO 108 CO 0.49 0.37 0.00 0.00 -0.21 0.00 0.00 178.00 178.65 1rqj h ALA 109 N 1.69 1.00 -3.00 -0.75 0.00 -1.93 -3.37 119.26 112.90 1rqj h ALA 109 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.50 1rqj h ALA 109 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1rqj h ALA 109 CO -0.46 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.46 1rqj n MET 110 N -2.47 0.00 0.03 0.00 2.81 0.05 -4.95 117.12 112.59 1rqj n MET 110 Ca 0.03 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.03 1rqj n MET 110 Cb 0.31 0.00 0.07 0.00 -0.71 0.00 0.00 33.22 32.89 1rqj n MET 110 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1rqj n ASP 111 N 0.00 0.63 -3.57 7.83 10.43 0.50 -4.95 116.55 127.42 1rqj n ASP 111 Ca 0.00 -0.15 -0.23 0.00 2.57 0.00 0.00 54.79 56.98 1rqj n ASP 111 Cb 0.00 0.62 0.05 0.00 1.84 0.00 0.00 41.12 43.63 1rqj n ASP 111 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1rqj n ASP 112 N -1.96 -3.93 -4.75 -2.24 4.64 0.05 -4.98 116.55 103.39 1rqj n ASP 112 Ca 0.02 -0.85 -0.35 0.00 -1.38 0.00 0.00 54.79 52.24 1rqj n ASP 112 Cb 0.43 -4.19 -0.08 0.00 -1.04 0.00 0.00 41.12 36.24 1rqj n ASP 112 CO 0.00 0.00 0.00 -1.81 -0.82 0.00 0.00 177.20 174.57 1rqj s ASP 113 N -3.83 5.62 0.00 1.67 1.01 -0.74 -4.93 116.67 115.46 1rqj s ASP 113 Ca 0.27 0.22 0.17 0.00 0.71 0.00 0.00 52.55 53.92 1rqj s ASP 113 Cb -0.07 -1.65 -0.10 0.00 1.01 0.00 0.00 42.92 42.11 1rqj s ASP 113 CO 0.81 0.36 0.81 -0.90 0.21 0.00 0.00 175.17 176.46 1rqj n ASP 114 N 1.87 1.24 -4.11 0.27 3.85 -1.26 -4.72 116.55 113.69 1rqj n ASP 114 Ca -0.18 -1.12 -0.23 0.00 -0.71 0.00 0.00 54.79 52.55 1rqj n ASP 114 Cb 0.54 0.75 -0.15 0.00 -1.35 0.00 0.00 41.12 40.90 1rqj n ASP 114 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1rqj s LEU 115 N -2.49 1.99 -0.20 -2.12 1.43 -1.26 -1.67 118.68 114.36 1rqj s LEU 115 Ca 0.10 -0.27 -0.19 0.00 -1.03 0.00 0.00 54.13 52.74 1rqj s LEU 115 Cb 0.13 -0.77 0.05 0.00 0.03 0.00 0.00 46.19 45.64 1rqj s LEU 115 CO 0.57 0.17 0.54 -0.60 0.23 0.00 0.00 176.35 177.26 1rqj s ARG 116 N -0.23 0.63 -1.24 1.70 3.52 -0.26 -4.43 118.95 118.64 1rqj s ARG 116 Ca 0.03 0.72 -0.04 0.00 -0.13 0.00 0.00 55.73 56.31 1rqj s ARG 116 Cb -0.07 0.31 0.03 0.00 -1.56 0.00 0.00 34.95 33.66 1rqj s ARG 116 CO -0.00 -0.08 0.29 0.54 -0.81 0.00 0.00 175.30 175.24 1rqj n ARG 117 N 2.73 -3.09 -0.75 5.12 1.74 -0.50 -1.65 116.66 120.27 1rqj n ARG 117 Ca -0.14 0.60 0.00 0.00 -0.77 0.00 0.00 57.85 57.55 1rqj n ARG 117 Cb 0.56 -5.29 0.00 0.00 -1.02 0.00 0.00 32.46 26.71 1rqj n ARG 117 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rqj n GLY 118 N -1.07 0.78 3.23 -0.13 0.00 -0.21 -4.86 105.19 102.94 1rqj n GLY 118 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 1rqj n GLY 118 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rqj s LEU 119 N 0.00 2.37 0.20 0.99 1.43 -0.66 -5.06 118.68 117.95 1rqj s LEU 119 Ca 0.00 -1.08 -0.31 0.00 -1.03 0.00 0.00 54.13 51.71 1rqj s LEU 119 Cb 0.00 -0.17 -0.15 0.00 0.03 0.00 0.00 46.19 45.90 1rqj s LEU 119 CO 0.00 -0.46 1.09 -2.65 0.23 0.00 0.00 176.35 174.56 1rqj n PRO 120 N -0.19 1.14 -0.85 1.29 -0.02 -1.26 -1.10 135.00 134.01 1rqj n PRO 120 Ca -0.09 0.41 -0.31 0.00 -2.02 0.00 0.00 63.50 61.49 1rqj n PRO 120 Cb 0.62 -1.84 0.15 0.00 -0.02 0.00 0.00 33.50 32.41 1rqj n PRO 120 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1rqj s THR 121 N -0.45 2.41 0.24 3.45 -4.23 -0.67 -4.67 115.64 111.72 1rqj s THR 121 Ca 0.69 0.13 -0.05 0.00 -1.18 0.00 0.00 61.69 61.29 1rqj s THR 121 Cb -0.82 -2.30 0.20 0.00 1.34 0.00 0.00 72.50 70.92 1rqj s THR 121 CO 0.54 -0.17 1.79 0.00 -0.54 0.00 0.00 174.62 176.24 1rqj h HIS 123 N 0.68 0.21 0.27 0.00 2.07 -1.89 0.16 115.15 116.66 1rqj h HIS 123 Ca 0.39 -0.07 -0.01 0.00 -2.85 0.00 0.00 60.37 57.83 1rqj h HIS 123 Cb 0.42 -0.04 0.00 0.00 2.57 0.00 0.00 27.41 30.36 1rqj h HIS 123 CO -0.09 0.66 -0.13 0.28 -3.07 0.00 0.00 177.93 175.58 1rqj h VAL 124 N 0.14 0.77 -0.23 6.12 2.07 -1.62 0.86 116.25 124.36 1rqj h VAL 124 Ca 0.00 -0.52 -0.18 0.00 0.82 0.00 0.00 66.70 66.82 1rqj h VAL 124 Cb 0.97 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1rqj h VAL 124 CO 0.08 0.11 -0.58 0.50 0.02 0.00 0.00 177.57 177.69 1rqj h LYS 125 N -0.65 0.72 -0.00 1.57 3.64 -1.20 -3.35 116.57 117.31 1rqj h LYS 125 Ca -0.04 -0.48 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1rqj h LYS 125 Cb 0.46 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1rqj h LYS 125 CO 0.06 1.10 -0.11 1.19 -2.27 0.00 0.00 179.45 179.42 1rqj n PHE 126 N -3.97 0.00 0.00 1.91 3.72 0.03 -5.11 117.46 114.04 1rqj n PHE 126 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1rqj n PHE 126 Cb 0.64 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 1rqj n PHE 126 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rqj n GLY 127 N 0.68 0.69 0.18 1.37 0.00 0.30 -4.39 105.19 104.01 1rqj n GLY 127 Ca 0.03 -1.82 -0.16 0.00 0.00 0.00 0.00 46.02 44.07 1rqj n GLY 127 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1rqj h GLU 128 N 0.00 0.59 -0.11 1.61 5.08 -1.89 -2.34 114.58 117.53 1rqj h GLU 128 Ca 0.00 -0.44 0.01 0.00 -1.00 0.00 0.00 59.36 57.93 1rqj h GLU 128 Cb 0.00 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1rqj h GLU 128 CO 0.00 1.06 0.05 0.00 -1.00 0.00 0.00 179.01 179.12 1rqj h ALA 129 N 0.54 0.13 -0.97 3.43 0.00 -1.93 -0.53 119.26 119.93 1rqj h ALA 129 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1rqj h ALA 129 Cb 1.11 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 1rqj h ALA 129 CO 0.10 -0.40 0.64 -0.91 0.00 0.00 0.00 179.25 178.68 1rqj h ASN 130 N 0.12 1.09 -0.35 0.00 -0.26 -1.76 -1.09 115.58 113.33 1rqj h ASN 130 Ca 0.04 -0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 55.74 1rqj h ASN 130 Cb 0.00 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 36.99 1rqj h ASN 130 CO -0.03 0.77 0.14 0.00 -1.06 0.00 0.00 177.43 177.25 1rqj h ALA 131 N 1.41 0.46 0.06 -0.83 0.00 -0.97 0.97 119.26 120.36 1rqj h ALA 131 Ca 0.36 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1rqj h ALA 131 Cb -0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1rqj h ALA 131 CO -0.09 0.06 -0.07 0.82 0.00 0.00 0.00 179.25 179.97 1rqj h ILE 132 N 0.42 0.83 -0.37 0.00 2.04 -0.74 -1.37 117.51 118.32 1rqj h ILE 132 Ca 0.12 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.84 1rqj h ILE 132 Cb 0.19 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1rqj h ILE 132 CO -0.01 0.00 -0.32 -0.07 0.00 0.00 0.00 178.15 177.76 1rqj h LEU 133 N -0.16 0.84 -0.76 1.44 3.38 -1.16 -0.75 115.31 118.15 1rqj h LEU 133 Ca 0.01 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.54 1rqj h LEU 133 Cb 0.16 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1rqj h LEU 133 CO -0.03 1.09 -0.09 0.00 0.09 0.00 0.00 178.44 179.49 1rqj h ALA 134 N 0.96 0.95 -0.28 1.53 0.00 -0.71 0.94 119.26 122.65 1rqj h ALA 134 Ca 0.07 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 1rqj h ALA 134 Cb 0.86 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1rqj h ALA 134 CO 0.08 0.62 -0.11 0.78 0.00 0.00 0.00 179.25 180.61 1rqj h GLY 135 N 0.97 0.61 0.22 0.00 0.00 -1.06 -0.27 103.07 103.55 1rqj h GLY 135 Ca 0.13 -0.54 0.08 0.00 0.00 0.00 0.00 47.33 47.00 1rqj h GLY 135 CO 0.04 0.49 -0.08 -0.55 0.00 0.00 0.00 176.54 176.44 1rqj h ASP 136 N 0.31 -0.34 0.08 0.19 3.32 -0.84 -1.69 116.42 117.46 1rqj h ASP 136 Ca 0.06 0.12 -0.13 0.00 0.02 0.00 0.00 57.03 57.10 1rqj h ASP 136 Cb 0.62 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 1rqj h ASP 136 CO 0.04 -0.12 -0.43 0.00 -1.72 0.00 0.00 179.24 177.01 1rqj h ALA 137 N 1.39 0.92 -0.51 3.45 0.00 -0.71 -2.46 119.26 121.34 1rqj h ALA 137 Ca 0.19 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1rqj h ALA 137 Cb 0.29 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1rqj h ALA 137 CO -0.40 0.64 -0.02 -0.07 0.00 0.00 0.00 179.25 179.40 1rqj h LEU 138 N 0.35 0.86 -0.23 0.00 3.38 -0.66 -0.09 115.31 118.91 1rqj h LEU 138 Ca 0.03 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1rqj h LEU 138 Cb 0.91 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1rqj h LEU 138 CO 0.08 0.93 0.14 -0.61 0.09 0.00 0.00 178.44 179.07 1rqj h GLN 139 N 0.81 0.32 -0.93 1.13 4.15 -1.08 -2.24 115.11 117.27 1rqj h GLN 139 Ca 0.15 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 1rqj h GLN 139 Cb 0.52 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.10 1rqj h GLN 139 CO 0.03 0.25 0.53 1.15 -1.93 0.00 0.00 178.83 178.86 1rqj h THR 140 N 0.29 1.26 -0.70 2.39 2.02 -1.24 -2.59 112.91 114.33 1rqj h THR 140 Ca 0.08 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 1rqj h THR 140 Cb 0.02 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.38 1rqj h THR 140 CO -0.02 0.29 0.38 0.25 0.37 0.00 0.00 175.52 176.79 1rqj h LEU 141 N 1.29 0.87 -0.79 2.58 5.85 -0.70 -1.12 115.31 123.29 1rqj h LEU 141 Ca 0.33 -0.07 0.12 0.00 0.84 0.00 0.00 57.88 59.10 1rqj h LEU 141 Cb -0.01 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 40.72 1rqj h LEU 141 CO -0.06 0.70 0.41 0.00 -0.34 0.00 0.00 178.44 179.15 1rqj h ALA 142 N 1.44 1.14 0.00 1.25 0.00 -1.00 0.12 119.26 122.21 1rqj h ALA 142 Ca 0.25 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 55.05 1rqj h ALA 142 Cb 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1rqj h ALA 142 CO -0.04 -0.04 -0.82 0.74 0.00 0.00 0.00 179.25 179.09 1rqj h PHE 143 N 0.64 0.00 -0.72 0.00 -1.00 -1.33 -2.55 116.94 111.97 1rqj h PHE 143 Ca 0.41 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 61.12 1rqj h PHE 143 Cb 0.49 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.02 1rqj h PHE 143 CO -0.10 0.82 0.21 0.77 -1.61 0.00 0.00 178.31 178.40 1rqj h SER 144 N 0.00 1.07 -0.00 2.17 0.02 -0.59 -2.14 113.55 114.07 1rqj h SER 144 Ca -0.01 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1rqj h SER 144 Cb 1.59 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 63.85 1rqj h SER 144 CO 0.11 1.00 0.00 0.40 -1.14 0.00 0.00 176.83 177.20 1rqj h ILE 145 N 1.08 1.15 -0.10 3.27 2.04 -0.68 -1.06 117.51 123.21 1rqj h ILE 145 Ca 0.23 -0.45 -0.07 0.00 1.00 0.00 0.00 64.86 65.56 1rqj h ILE 145 Cb 0.33 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1rqj h ILE 145 CO -0.00 0.12 -0.27 -0.07 0.00 0.00 0.00 178.15 177.92 1rqj h LEU 146 N -0.19 0.18 0.00 1.44 3.38 -1.44 0.11 115.31 118.79 1rqj h LEU 146 Ca 0.00 -0.05 -0.20 0.00 0.09 0.00 0.00 57.88 57.72 1rqj h LEU 146 Cb 0.19 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1rqj h LEU 146 CO -0.00 0.46 -1.14 0.77 0.09 0.00 0.00 178.44 178.62 1rqj h SER 147 N 0.17 0.00 0.00 -0.43 4.64 -1.31 -3.41 113.55 113.20 1rqj h SER 147 Ca 0.03 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.27 1rqj h SER 147 Cb 0.58 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 1rqj h SER 147 CO 0.04 0.81 -1.44 0.47 -0.87 0.00 0.00 176.83 175.84 1rqj n ASP 148 N -3.16 3.20 -4.80 4.97 10.43 -0.41 -5.05 116.55 121.72 1rqj n ASP 148 Ca -0.05 0.00 -0.32 0.00 2.57 0.00 0.00 54.79 56.98 1rqj n ASP 148 Cb 0.90 0.96 0.02 0.00 1.84 0.00 0.00 41.12 44.84 1rqj n ASP 148 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1rqj s ALA 149 N -2.33 2.70 -0.07 2.24 0.00 0.01 -4.96 121.76 119.36 1rqj s ALA 149 Ca -0.03 0.36 -0.30 0.00 0.00 0.00 0.00 51.96 51.99 1rqj s ALA 149 Cb 0.03 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1rqj s ALA 149 CO 0.31 -0.92 1.42 -0.51 0.00 0.00 0.00 175.76 176.06 1rqj s ASP 150 N -2.93 6.83 -0.44 0.00 1.11 -1.26 -4.95 116.67 115.04 1rqj s ASP 150 Ca 0.63 2.01 0.05 0.00 0.18 0.00 0.00 52.55 55.42 1rqj s ASP 150 Cb -0.16 -2.55 0.18 0.00 1.07 0.00 0.00 42.92 41.47 1rqj s ASP 150 CO 0.40 -0.78 0.39 0.23 1.18 0.00 0.00 175.17 176.58 1rqj n MET 151 N 6.22 0.44 -0.28 8.23 2.81 -1.26 -4.68 117.12 128.60 1rqj n MET 151 Ca 0.14 -3.32 0.17 0.00 -1.81 0.00 0.00 57.70 52.89 1rqj n MET 151 Cb 0.44 -1.67 0.45 0.00 -0.71 0.00 0.00 33.22 31.74 1rqj n MET 151 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1rqj h PRO 152 N 5.35 0.50 -0.01 0.03 0.13 -1.94 -1.45 132.00 134.61 1rqj h PRO 152 Ca 0.23 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1rqj h PRO 152 Cb 0.89 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1rqj h PRO 152 CO 0.42 0.33 -0.02 0.39 -0.23 0.00 0.00 178.00 178.89 1rqj n GLU 153 N -4.58 1.58 -3.59 0.86 4.71 -1.26 -4.85 120.64 113.51 1rqj n GLU 153 Ca 0.21 -0.90 -0.39 0.00 -0.01 0.00 0.00 57.16 56.06 1rqj n GLU 153 Cb 0.67 -1.48 -0.11 0.00 -1.01 0.00 0.00 31.44 29.51 1rqj n GLU 153 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1rqj s VAL 154 N -2.04 4.99 0.73 2.62 1.01 -0.55 -4.87 120.40 122.29 1rqj s VAL 154 Ca 0.37 -0.26 -0.15 0.00 0.00 0.00 0.00 61.98 61.95 1rqj s VAL 154 Cb 0.21 -3.53 0.04 0.00 0.00 0.00 0.00 36.38 33.10 1rqj s VAL 154 CO 0.35 0.06 1.18 -0.94 0.00 0.00 0.00 175.10 175.75 1rqj s SER 155 N 1.68 4.26 0.31 3.32 1.04 -1.26 -4.78 113.70 118.27 1rqj s SER 155 Ca 0.06 2.27 0.03 0.00 0.48 0.00 0.00 55.95 58.78 1rqj s SER 155 Cb -0.17 -2.58 0.61 0.00 0.10 0.00 0.00 66.02 63.98 1rqj s SER 155 CO 0.09 -2.21 1.87 0.44 0.98 0.00 0.00 173.24 174.41 1rqj h ASP 156 N -0.38 0.86 -0.60 7.02 3.45 -1.97 0.12 116.42 124.92 1rqj h ASP 156 Ca -0.47 0.03 0.02 0.00 0.43 0.00 0.00 57.03 57.04 1rqj h ASP 156 Cb 1.28 -0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 39.87 1rqj h ASP 156 CO 0.50 0.49 0.38 -0.09 -1.57 0.00 0.00 179.24 178.95 1rqj h ARG 157 N 0.94 0.74 -0.01 3.56 9.65 -1.99 0.19 114.38 127.45 1rqj h ARG 157 Ca 0.44 -0.04 -0.16 0.00 -1.10 0.00 0.00 59.98 59.12 1rqj h ARG 157 Cb 0.42 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.82 1rqj h ARG 157 CO -0.20 0.49 -0.72 -0.44 2.80 0.00 0.00 179.97 181.89 1rqj h ASP 158 N 0.76 0.10 -0.51 -3.80 3.32 -1.66 -1.93 116.42 112.71 1rqj h ASP 158 Ca 0.23 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 1rqj h ASP 158 Cb -0.03 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1rqj h ASP 158 CO -0.08 0.79 -0.05 -0.09 -1.72 0.00 0.00 179.24 178.09 1rqj h ARG 159 N 0.05 0.93 -0.67 3.56 2.43 -0.35 -1.01 114.38 119.31 1rqj h ARG 159 Ca -0.01 -0.32 -0.04 0.00 -0.81 0.00 0.00 59.98 58.79 1rqj h ARG 159 Cb 1.28 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.73 1rqj h ARG 159 CO 0.10 0.98 0.25 0.82 -1.51 0.00 0.00 179.97 180.61 1rqj h ILE 160 N 0.79 1.25 -0.49 1.20 2.04 -0.88 -2.01 117.51 119.41 1rqj h ILE 160 Ca 0.14 -0.79 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 1rqj h ILE 160 Cb 0.59 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1rqj h ILE 160 CO 0.04 0.31 0.11 0.28 0.00 0.00 0.00 178.15 178.89 1rqj h SER 161 N 0.96 0.69 -0.31 1.72 0.02 -1.10 0.19 113.55 115.74 1rqj h SER 161 Ca 0.22 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1rqj h SER 161 Cb 0.24 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1rqj h SER 161 CO -0.01 0.69 0.14 0.24 -1.14 0.00 0.00 176.83 176.75 1rqj h MET 162 N 0.72 0.45 -0.19 3.45 2.86 -0.83 0.36 114.93 121.75 1rqj h MET 162 Ca 0.16 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1rqj h MET 162 Cb 0.28 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1rqj h MET 162 CO -0.00 0.44 0.08 0.82 1.06 0.00 0.00 176.91 179.31 1rqj h ILE 163 N 0.36 1.16 -0.65 -1.22 2.04 -0.99 -0.92 117.51 117.28 1rqj h ILE 163 Ca 0.11 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.51 1rqj h ILE 163 Cb 0.14 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1rqj h ILE 163 CO -0.01 0.15 0.43 -1.28 0.00 0.00 0.00 178.15 177.43 1rqj h SER 164 N 0.16 0.73 -0.32 1.72 0.87 -0.86 -0.47 113.55 115.38 1rqj h SER 164 Ca 0.06 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.55 1rqj h SER 164 Cb 0.16 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1rqj h SER 164 CO -0.01 0.52 -0.03 -0.08 -0.53 0.00 0.00 176.83 176.71 1rqj h GLU 165 N 0.86 0.59 -0.77 2.24 4.57 -0.82 -1.18 114.58 120.06 1rqj h GLU 165 Ca 0.25 -0.20 -0.05 0.00 -1.18 0.00 0.00 59.36 58.18 1rqj h GLU 165 Cb -0.07 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.44 1rqj h GLU 165 CO -0.07 0.73 0.30 1.25 -1.18 0.00 0.00 179.01 180.05 1rqj h LEU 166 N 0.38 1.06 0.18 1.64 5.85 -0.92 -0.89 115.31 122.62 1rqj h LEU 166 Ca 0.09 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1rqj h LEU 166 Cb 0.49 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1rqj h LEU 166 CO 0.02 0.95 -0.09 0.00 -0.34 0.00 0.00 178.44 178.98 1rqj h ALA 167 N 1.20 -0.25 -0.40 1.25 0.00 -0.98 -0.85 119.26 119.24 1rqj h ALA 167 Ca 0.26 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1rqj h ALA 167 Cb 0.22 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1rqj h ALA 167 CO -0.02 -0.56 0.01 0.66 0.00 0.00 0.00 179.25 179.33 1rqj h SER 168 N -0.40 0.60 1.02 0.00 4.64 -1.10 -1.38 113.55 116.93 1rqj h SER 168 Ca -0.03 -0.12 -0.10 0.00 -0.47 0.00 0.00 61.79 61.07 1rqj h SER 168 Cb 0.31 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1rqj h SER 168 CO 0.04 0.67 -0.48 0.00 -0.87 0.00 0.00 176.83 176.19 1rqj h ALA 169 N 1.41 0.85 0.00 5.18 0.00 -1.07 -3.03 119.26 122.59 1rqj h ALA 169 Ca 0.13 -0.44 -0.26 0.00 0.00 0.00 0.00 54.91 54.34 1rqj h ALA 169 Cb 0.37 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1rqj h ALA 169 CO 0.01 0.60 -1.77 0.43 0.00 0.00 0.00 179.25 178.53 1rqj n SER 170 N -3.45 0.67 -2.12 0.00 7.64 -0.33 -0.62 113.62 115.41 1rqj n SER 170 Ca 0.00 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1rqj n SER 170 Cb 0.62 0.27 0.00 0.00 -1.01 0.00 0.00 64.21 64.09 1rqj n SER 170 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rqj n GLY 171 N 1.54 1.08 0.23 0.23 0.00 -0.55 -2.06 105.19 105.65 1rqj n GLY 171 Ca -0.17 -1.63 0.10 0.00 0.00 0.00 0.00 46.02 44.32 1rqj n GLY 171 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1rqj h ILE 172 N 0.00 0.60 -0.00 -0.61 6.09 -1.86 0.40 117.51 122.13 1rqj h ILE 172 Ca 0.00 -0.96 0.00 0.00 -1.37 0.00 0.00 64.86 62.53 1rqj h ILE 172 Cb 0.00 1.63 0.00 0.00 0.47 0.00 0.00 36.82 38.92 1rqj h ILE 172 CO 0.00 0.20 -0.01 0.00 -3.07 0.00 0.00 178.15 175.27 1rqj n ALA 173 N -2.25 2.45 -2.12 0.18 0.00 -1.26 -3.31 120.51 114.21 1rqj n ALA 173 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1rqj n ALA 173 Cb 0.37 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1rqj n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rqj n GLY 174 N 1.38 3.61 0.18 0.00 0.00 0.06 -4.89 105.19 105.54 1rqj n GLY 174 Ca 0.11 -0.44 -0.03 0.00 0.00 0.00 0.00 46.02 45.66 1rqj n GLY 174 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1rqj h MET 175 N 0.00 0.09 -0.37 1.61 1.85 -0.35 -0.29 114.93 117.47 1rqj h MET 175 Ca 0.00 -0.01 -0.06 0.00 -0.61 0.00 0.00 59.70 59.02 1rqj h MET 175 Cb 0.00 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.00 1rqj h MET 175 CO 0.00 0.06 -0.01 0.00 -0.40 0.00 0.00 176.91 176.56 1rqj h GLY 177 N 0.47 1.22 1.31 0.00 0.00 -1.28 -1.05 103.07 103.74 1rqj h GLY 177 Ca 0.10 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 47.03 1rqj h GLY 177 CO 0.02 0.11 -0.21 -1.33 0.00 0.00 0.00 176.54 175.14 1rqj h GLY 178 N 0.74 0.87 1.03 4.60 0.00 -0.63 -1.32 103.07 108.37 1rqj h GLY 178 Ca 0.38 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1rqj h GLY 178 CO -0.25 0.67 0.57 1.46 0.00 0.00 0.00 176.54 178.99 1rqj h GLN 179 N 0.70 1.28 -0.49 4.80 1.08 -0.39 0.90 115.11 122.99 1rqj h GLN 179 Ca 0.10 -0.12 -0.08 0.00 -1.45 0.00 0.00 58.65 57.10 1rqj h GLN 179 Cb 0.72 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 1rqj h GLN 179 CO 0.06 0.89 -0.02 0.00 -0.95 0.00 0.00 178.83 178.81 1rqj h ALA 180 N 1.32 0.66 -0.79 3.87 0.00 -0.83 -1.35 119.26 122.14 1rqj h ALA 180 Ca 0.34 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1rqj h ALA 180 Cb -0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1rqj h ALA 180 CO -0.06 0.49 0.30 -0.07 0.00 0.00 0.00 179.25 179.91 1rqj h LEU 181 N 0.74 1.11 -0.19 0.00 3.38 -0.87 -1.76 115.31 117.72 1rqj h LEU 181 Ca 0.14 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1rqj h LEU 181 Cb 0.54 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1rqj h LEU 181 CO 0.03 0.99 0.11 -0.78 0.09 0.00 0.00 178.44 178.88 1rqj h ASP 182 N 1.16 0.23 -0.79 -0.43 3.58 -0.63 -1.69 116.42 117.85 1rqj h ASP 182 Ca 0.26 -0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.63 1rqj h ASP 182 Cb 0.24 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.19 1rqj h ASP 182 CO -0.02 0.21 0.36 -0.07 -2.88 0.00 0.00 179.24 176.84 1rqj h LEU 183 N 0.22 1.05 -1.14 2.28 4.07 -1.12 -2.80 115.31 117.87 1rqj h LEU 183 Ca 0.07 -0.15 -0.08 0.00 0.08 0.00 0.00 57.88 57.80 1rqj h LEU 183 Cb 0.03 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.49 1rqj h LEU 183 CO -0.01 0.90 -0.22 -0.78 -1.08 0.00 0.00 178.44 177.25 1rqj h ASP 184 N 1.12 0.33 0.20 -0.43 1.82 -1.06 -2.97 116.42 115.43 1rqj h ASP 184 Ca 0.27 -0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.81 1rqj h ASP 184 Cb 0.15 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.07 1rqj h ASP 184 CO -0.03 0.56 -0.03 0.00 -1.61 0.00 0.00 179.24 178.13 1rqj n ALA 185 N -2.48 2.65 -1.69 -0.78 0.00 -0.66 -4.75 120.51 112.80 1rqj n ALA 185 Ca -0.01 -0.23 -0.42 0.00 0.00 0.00 0.00 53.44 52.78 1rqj n ALA 185 Cb 0.36 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 1rqj n ALA 185 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rqj n GLU 186 N -0.91 2.80 -0.86 0.00 1.02 -1.12 -2.04 120.64 119.53 1rqj n GLU 186 Ca 0.19 1.02 0.00 0.00 -0.02 0.00 0.00 57.16 58.35 1rqj n GLU 186 Cb 0.21 -2.92 0.00 0.00 -0.02 0.00 0.00 31.44 28.71 1rqj n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rqj n GLY 187 N 4.27 1.17 0.03 0.62 0.00 0.10 -4.85 105.19 106.53 1rqj n GLY 187 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 1rqj n GLY 187 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rqj n LYS 188 N -2.00 1.75 -3.85 1.61 5.02 -0.86 -5.02 118.16 114.80 1rqj n LYS 188 Ca 0.00 -0.08 -0.38 0.00 -2.02 0.00 0.00 58.31 55.84 1rqj n LYS 188 Cb 0.00 -1.25 0.03 0.00 -0.02 0.00 0.00 35.03 33.79 1rqj n LYS 188 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1rqj n HIS 189 N -1.26 -1.70 -2.03 2.13 8.25 -1.25 -4.84 115.22 114.53 1rqj n HIS 189 Ca 0.03 0.31 -0.33 0.00 -0.26 0.00 0.00 57.72 57.47 1rqj n HIS 189 Cb 0.26 -3.13 0.02 0.00 1.12 0.00 0.00 29.99 28.26 1rqj n HIS 189 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1rqj s VAL 190 N -3.46 3.57 0.99 1.59 -7.23 -1.26 -5.00 120.40 109.60 1rqj s VAL 190 Ca 0.46 0.78 -0.12 0.00 -1.81 0.00 0.00 61.98 61.29 1rqj s VAL 190 Cb -0.21 -3.29 0.19 0.00 0.56 0.00 0.00 36.38 33.63 1rqj s VAL 190 CO 0.91 -0.40 1.08 -2.84 -0.31 0.00 0.00 175.10 173.54 1rqj s PRO 191 N -3.92 0.45 0.17 4.82 0.02 -1.26 -4.62 135.00 130.66 1rqj s PRO 191 Ca 0.66 0.80 -0.17 0.00 0.02 0.00 0.00 61.00 62.31 1rqj s PRO 191 Cb -0.18 -1.72 0.12 0.00 0.02 0.00 0.00 34.50 32.74 1rqj s PRO 191 CO 0.36 -2.79 1.66 1.25 -0.33 0.00 0.00 177.00 177.15 1rqj h LEU 192 N -1.95 -0.42 -0.99 -5.54 7.12 -1.98 -0.15 115.31 111.39 1rqj h LEU 192 Ca -0.53 0.13 0.11 0.00 0.13 0.00 0.00 57.88 57.72 1rqj h LEU 192 Cb 1.31 0.28 -0.08 0.00 -0.53 0.00 0.00 40.66 41.63 1rqj h LEU 192 CO 0.53 -0.15 0.63 -2.24 -0.13 0.00 0.00 178.44 177.08 1rqj h ASP 193 N -0.01 0.93 0.17 1.25 2.03 -1.99 0.84 116.42 119.65 1rqj h ASP 193 Ca 0.21 0.04 -0.20 0.00 -0.73 0.00 0.00 57.03 56.35 1rqj h ASP 193 Cb 0.33 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 38.68 1rqj h ASP 193 CO -0.45 0.51 -0.78 0.00 -1.03 0.00 0.00 179.24 177.49 1rqj h ALA 194 N 1.52 0.48 -0.29 4.15 0.00 -1.66 -2.53 119.26 120.94 1rqj h ALA 194 Ca 0.48 -0.62 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1rqj h ALA 194 Cb 0.43 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1rqj h ALA 194 CO -0.25 0.75 0.18 1.25 0.00 0.00 0.00 179.25 181.18 1rqj h LEU 195 N 0.33 0.31 -1.05 0.00 6.46 -0.10 -1.64 115.31 119.62 1rqj h LEU 195 Ca -0.05 -0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.67 1rqj h LEU 195 Cb 1.38 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 41.21 1rqj h LEU 195 CO 0.14 0.23 0.20 -0.08 -0.62 0.00 0.00 178.44 178.30 1rqj h GLU 196 N 0.37 0.88 -0.62 1.25 4.81 -0.85 -1.53 114.58 118.89 1rqj h GLU 196 Ca 0.11 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 1rqj h GLU 196 Cb -0.03 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 1rqj h GLU 196 CO -0.03 0.75 0.24 0.00 -0.73 0.00 0.00 179.01 179.23 1rqj h ARG 197 N 0.85 0.93 0.52 1.92 3.08 -1.10 -0.40 114.38 120.19 1rqj h ARG 197 Ca 0.20 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1rqj h ARG 197 Cb 0.22 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1rqj h ARG 197 CO -0.01 0.80 -0.41 0.82 -1.07 0.00 0.00 179.97 180.09 1rqj h ILE 198 N 0.87 0.17 -0.53 2.04 2.04 -0.75 -2.64 117.51 118.70 1rqj h ILE 198 Ca 0.21 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.01 1rqj h ILE 198 Cb 0.22 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 1rqj h ILE 198 CO -0.01 0.00 0.13 0.45 0.00 0.00 0.00 178.15 178.72 1rqj h HIS 199 N -0.91 0.89 -0.89 1.37 3.86 -1.16 0.61 115.15 118.92 1rqj h HIS 199 Ca -0.06 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.04 1rqj h HIS 199 Cb 0.78 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 28.95 1rqj h HIS 199 CO -0.17 0.78 0.53 0.00 0.86 0.00 0.00 177.93 179.93 1rqj h ARG 200 N 0.75 1.22 0.01 2.45 3.08 -1.12 -0.97 114.38 119.80 1rqj h ARG 200 Ca 0.17 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1rqj h ARG 200 Cb 0.33 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1rqj h ARG 200 CO 0.00 0.86 -0.00 0.45 -1.07 0.00 0.00 179.97 180.20 1rqj h HIS 201 N 1.23 -0.01 0.00 3.04 3.86 -1.07 0.40 115.15 122.60 1rqj h HIS 201 Ca 0.32 -0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.43 1rqj h HIS 201 Cb -0.04 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1rqj h HIS 201 CO 0.01 0.79 -0.48 1.57 0.86 0.00 0.00 177.93 180.67 1rqj h LYS 202 N -0.86 0.00 0.00 2.45 2.10 -0.87 -2.45 116.57 116.94 1rqj h LYS 202 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1rqj h LYS 202 Cb 0.81 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 1rqj h LYS 202 CO 0.00 0.48 -0.74 2.41 -2.00 0.00 0.00 179.45 179.61 1rqj n THR 203 N -3.90 0.00 -0.29 0.07 -1.04 -0.46 -4.65 114.28 104.01 1rqj n THR 203 Ca -0.01 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.95 1rqj n THR 203 Cb 0.51 -0.42 0.07 0.00 -1.82 0.00 0.00 70.33 68.67 1rqj n THR 203 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1rqj h GLY 204 N 0.00 1.14 1.02 3.41 0.00 -0.45 -3.12 103.07 105.07 1rqj h GLY 204 Ca 0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 1rqj h GLY 204 CO 0.00 0.44 0.14 0.00 0.00 0.00 0.00 176.54 177.12 1rqj h ALA 205 N 1.28 0.80 -0.13 3.60 0.00 -1.05 -0.74 119.26 123.02 1rqj h ALA 205 Ca 0.29 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 1rqj h ALA 205 Cb -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1rqj h ALA 205 CO -0.06 0.52 -0.59 1.25 0.00 0.00 0.00 179.25 180.36 1rqj h LEU 206 N 0.89 0.48 -0.66 0.00 5.85 -1.73 -1.15 115.31 118.99 1rqj h LEU 206 Ca 0.19 -0.27 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 1rqj h LEU 206 Cb 0.36 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1rqj h LEU 206 CO 0.00 0.96 0.03 0.40 -0.34 0.00 0.00 178.44 179.49 1rqj h ILE 207 N 0.32 1.26 -0.23 4.05 2.04 -1.39 -1.14 117.51 122.42 1rqj h ILE 207 Ca -0.00 -1.12 -0.09 0.00 1.00 0.00 0.00 64.86 64.64 1rqj h ILE 207 Cb 1.12 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1rqj h ILE 207 CO 0.10 0.41 -0.26 -0.09 0.00 0.00 0.00 178.15 178.31 1rqj h ARG 208 N 0.98 0.44 -0.78 2.37 2.43 -1.01 -2.81 114.38 116.00 1rqj h ARG 208 Ca 0.18 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1rqj h ARG 208 Cb 0.53 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 1rqj h ARG 208 CO 0.03 0.67 0.31 0.00 -1.51 0.00 0.00 179.97 179.46 1rqj h ALA 209 N 1.34 1.02 -0.21 2.80 0.00 -0.69 -0.35 119.26 123.17 1rqj h ALA 209 Ca 0.06 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1rqj h ALA 209 Cb 0.66 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1rqj h ALA 209 CO 0.05 0.65 -0.06 0.00 0.00 0.00 0.00 179.25 179.89 1rqj h ALA 210 N 1.16 0.13 -0.42 0.00 0.00 -0.99 0.12 119.26 119.26 1rqj h ALA 210 Ca 0.26 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1rqj h ALA 210 Cb 0.23 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1rqj h ALA 210 CO -0.02 -0.48 0.17 0.28 0.00 0.00 0.00 179.25 179.19 1rqj h VAL 211 N -0.01 1.20 -0.81 0.00 2.07 -1.28 -1.63 116.25 115.79 1rqj h VAL 211 Ca 0.10 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 1rqj h VAL 211 Cb 0.17 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1rqj h VAL 211 CO -0.22 0.23 0.38 0.03 0.02 0.00 0.00 177.57 178.01 1rqj h ARG 212 N 0.53 1.17 -0.41 1.57 3.08 -0.82 -1.10 114.38 118.40 1rqj h ARG 212 Ca 0.14 -0.17 -0.13 0.00 0.07 0.00 0.00 59.98 59.88 1rqj h ARG 212 Cb 0.20 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1rqj h ARG 212 CO -0.01 0.91 -0.27 -0.07 -1.07 0.00 0.00 179.97 179.46 1rqj h LEU 213 N 1.16 0.91 -0.37 3.04 4.07 -0.58 0.22 115.31 123.75 1rqj h LEU 213 Ca 0.28 -0.36 0.02 0.00 0.08 0.00 0.00 57.88 57.90 1rqj h LEU 213 Cb 0.13 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 1rqj h LEU 213 CO -0.03 1.12 0.22 1.23 -1.08 0.00 0.00 178.44 179.89 1rqj h GLY 214 N 0.90 0.51 0.88 0.83 0.00 -0.87 -2.57 103.07 102.76 1rqj h GLY 214 Ca 0.09 -0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 1rqj h GLY 214 CO 0.07 0.14 0.00 0.00 0.00 0.00 0.00 176.54 176.75 1rqj h ALA 215 N 1.16 0.41 0.00 3.60 0.00 -0.87 -3.04 119.26 120.52 1rqj h ALA 215 Ca 0.15 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1rqj h ALA 215 Cb 0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1rqj h ALA 215 CO -0.07 0.15 -0.09 -0.07 0.00 0.00 0.00 179.25 179.18 1rqj h LEU 216 N 0.33 0.00 -2.25 0.00 3.38 -0.53 -0.44 115.31 115.80 1rqj h LEU 216 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1rqj h LEU 216 Cb 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1rqj h LEU 216 CO 0.02 0.09 -0.03 0.77 0.09 0.00 0.00 178.44 179.38 1rqj h SER 217 N 0.00 0.00 0.11 -0.43 4.64 -1.33 -1.58 113.55 114.95 1rqj h SER 217 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rqj h SER 217 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1rqj h SER 217 CO 0.01 0.03 -0.07 0.00 -0.87 0.00 0.00 176.83 175.93 1rqj n ALA 218 N -2.37 2.73 -0.54 5.18 0.00 -0.18 -4.58 120.51 120.75 1rqj n ALA 218 Ca -0.03 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1rqj n ALA 218 Cb 0.11 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1rqj n ALA 218 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rqj n GLY 219 N 1.20 1.90 0.32 0.00 0.00 -0.60 -3.85 105.19 104.17 1rqj n GLY 219 Ca 0.17 -0.54 -0.05 0.00 0.00 0.00 0.00 46.02 45.60 1rqj n GLY 219 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1rqj h ASP 220 N 6.26 0.98 -0.68 1.61 3.45 -1.90 -0.65 116.42 125.50 1rqj h ASP 220 Ca 0.00 -0.11 -0.04 0.00 0.43 0.00 0.00 57.03 57.31 1rqj h ASP 220 Cb 0.00 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 38.49 1rqj h ASP 220 CO 0.00 0.82 0.27 0.11 -1.57 0.00 0.00 179.24 178.87 1rqj h LYS 221 N 1.08 1.03 -0.42 3.56 1.57 -1.93 -1.49 116.57 119.97 1rqj h LYS 221 Ca 0.27 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1rqj h LYS 221 Cb 0.07 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1rqj h LYS 221 CO -0.04 0.84 0.06 0.78 -0.57 0.00 0.00 179.45 180.52 1rqj h GLY 222 N 1.08 0.76 1.13 3.86 0.00 -1.44 -3.11 103.07 105.34 1rqj h GLY 222 Ca 0.23 -0.52 0.03 0.00 0.00 0.00 0.00 47.33 47.07 1rqj h GLY 222 CO -0.02 0.48 0.53 3.21 0.00 0.00 0.00 176.54 180.74 1rqj h ARG 223 N 0.56 0.99 0.00 4.80 3.08 -0.59 -1.62 114.38 121.60 1rqj h ARG 223 Ca 0.13 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 1rqj h ARG 223 Cb 0.40 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1rqj h ARG 223 CO 0.01 0.66 -0.27 0.00 -1.07 0.00 0.00 179.97 179.30 1rqj h ARG 224 N 1.02 0.00 0.00 0.04 3.08 -1.24 -2.36 114.38 114.92 1rqj h ARG 224 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1rqj h ARG 224 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1rqj h ARG 224 CO -0.09 0.27 -0.13 0.00 -1.07 0.00 0.00 179.97 178.95 1rqj n ALA 225 N -2.42 2.50 -0.26 0.04 0.00 -0.64 -4.40 120.51 115.33 1rqj n ALA 225 Ca -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 53.44 53.29 1rqj n ALA 225 Cb 0.34 -1.40 0.10 0.00 0.00 0.00 0.00 19.45 18.49 1rqj n ALA 225 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1rqj h LEU 226 N 0.00 0.73 -0.70 0.00 3.38 -1.10 0.10 115.31 117.71 1rqj h LEU 226 Ca 0.00 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.11 1rqj h LEU 226 Cb 0.64 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.15 1rqj h LEU 226 CO 0.00 0.49 0.24 -0.65 0.09 0.00 0.00 178.44 178.60 1rqj h PRO 227 N 0.86 0.36 0.09 1.13 0.11 -1.78 0.12 132.00 132.90 1rqj h PRO 227 Ca 0.31 -0.02 -0.26 0.00 0.11 0.00 0.00 66.00 66.14 1rqj h PRO 227 Cb 0.09 -0.08 0.03 0.00 0.11 0.00 0.00 31.00 31.14 1rqj h PRO 227 CO -0.14 0.24 -1.06 0.28 -0.21 0.00 0.00 178.00 177.11 1rqj h VAL 228 N 0.37 1.34 -0.26 3.15 2.07 -1.65 -3.11 116.25 118.16 1rqj h VAL 228 Ca 0.38 -2.39 -0.03 0.00 0.82 0.00 0.00 66.70 65.48 1rqj h VAL 228 Cb 0.57 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 33.06 1rqj h VAL 228 CO -0.41 0.71 0.02 -0.07 0.02 0.00 0.00 177.57 177.85 1rqj h LEU 229 N 0.12 0.35 -0.52 2.57 3.38 -0.73 -2.15 115.31 118.32 1rqj h LEU 229 Ca -0.16 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1rqj h LEU 229 Cb 1.76 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.39 1rqj h LEU 229 CO 0.20 0.40 0.30 0.44 0.09 0.00 0.00 178.44 179.87 1rqj h ASP 230 N 0.37 0.64 -0.55 -0.43 3.32 -0.79 0.16 116.42 119.15 1rqj h ASP 230 Ca 0.09 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 56.96 1rqj h ASP 230 Cb 0.22 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1rqj h ASP 230 CO 0.00 0.53 -0.04 0.11 -1.72 0.00 0.00 179.24 178.12 1rqj h LYS 231 N 0.70 1.01 -0.08 3.56 1.79 -1.34 0.19 116.57 122.40 1rqj h LYS 231 Ca 0.19 -0.33 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1rqj h LYS 231 Cb 0.02 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.58 1rqj h LYS 231 CO -0.03 1.02 0.05 -0.92 -1.08 0.00 0.00 179.45 178.48 1rqj h TYR 232 N 0.92 0.10 -0.66 -1.35 3.20 -1.18 -2.46 116.97 115.54 1rqj h TYR 232 Ca 0.16 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.98 1rqj h TYR 232 Cb 0.59 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 1rqj h TYR 232 CO 0.04 0.09 0.20 0.00 -1.64 0.00 0.00 178.16 176.86 1rqj h ALA 233 N 1.00 0.86 -0.82 1.82 0.00 -0.16 -1.40 119.26 120.56 1rqj h ALA 233 Ca 0.03 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1rqj h ALA 233 Cb 0.02 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 1rqj h ALA 233 CO -0.01 0.54 0.53 0.93 0.00 0.00 0.00 179.25 181.24 1rqj h GLU 234 N 0.96 1.02 -0.08 0.00 5.08 -0.60 0.94 114.58 121.91 1rqj h GLU 234 Ca 0.21 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 1rqj h GLU 234 Cb 0.30 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.32 1rqj h GLU 234 CO -0.01 0.68 -0.39 0.77 -1.00 0.00 0.00 179.01 179.06 1rqj h SER 235 N 1.05 0.49 0.67 1.42 0.02 -1.07 -2.74 113.55 113.39 1rqj h SER 235 Ca 0.32 -0.65 -0.08 0.00 -0.84 0.00 0.00 61.79 60.54 1rqj h SER 235 Cb -0.05 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 1rqj h SER 235 CO -0.09 1.06 -0.38 0.16 -1.14 0.00 0.00 176.83 176.43 1rqj h ILE 236 N -0.05 0.99 -0.21 3.27 3.07 -1.15 -1.82 117.51 121.61 1rqj h ILE 236 Ca -0.03 -1.44 -0.09 0.00 1.55 0.00 0.00 64.86 64.85 1rqj h ILE 236 Cb 1.04 1.84 -0.00 0.00 -0.27 0.00 0.00 36.82 39.44 1rqj h ILE 236 CO 0.08 0.37 -0.23 1.23 -1.05 0.00 0.00 178.15 178.55 1rqj h GLY 237 N 1.72 0.57 0.86 0.16 0.00 -0.82 0.12 103.07 105.68 1rqj h GLY 237 Ca -0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.69 1rqj h GLY 237 CO 0.05 0.54 -0.00 -2.00 0.00 0.00 0.00 176.54 175.13 1rqj h LEU 238 N 0.20 0.45 -1.61 3.11 5.85 -1.49 -2.91 115.31 118.91 1rqj h LEU 238 Ca 0.03 -0.31 0.09 0.00 0.84 0.00 0.00 57.88 58.53 1rqj h LEU 238 Cb 0.79 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 1rqj h LEU 238 CO 0.06 0.65 0.40 0.00 -0.34 0.00 0.00 178.44 179.21 1rqj h ALA 239 N 0.82 1.98 -0.44 1.25 0.00 -1.23 -1.84 119.26 119.79 1rqj h ALA 239 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1rqj h ALA 239 Cb 0.42 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1rqj h ALA 239 CO 0.01 -0.10 0.24 0.35 0.00 0.00 0.00 179.25 179.75 1rqj h PHE 240 N 0.44 0.60 -0.06 0.00 3.57 -0.56 -1.20 116.94 119.73 1rqj h PHE 240 Ca 0.27 -0.01 -0.21 0.00 3.53 0.00 0.00 57.97 61.55 1rqj h PHE 240 Cb 0.49 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.04 1rqj h PHE 240 CO -0.00 0.45 -0.81 0.37 -2.23 0.00 0.00 178.31 176.09 1rqj h GLN 241 N 0.57 0.48 -0.91 1.11 5.75 -1.28 -1.04 115.11 119.79 1rqj h GLN 241 Ca 0.15 -0.43 -0.01 0.00 -0.15 0.00 0.00 58.65 58.22 1rqj h GLN 241 Cb 0.05 0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.66 1rqj h GLN 241 CO -0.02 1.07 0.54 -0.24 -2.65 0.00 0.00 178.83 177.53 1rqj h VAL 242 N 0.31 1.25 -0.44 2.39 3.04 -1.24 -0.13 116.25 121.43 1rqj h VAL 242 Ca -0.05 -0.55 -0.10 0.00 -1.01 0.00 0.00 66.70 64.98 1rqj h VAL 242 Cb 1.42 -0.03 -0.02 0.00 -2.01 0.00 0.00 31.29 30.65 1rqj h VAL 242 CO 0.14 0.27 -0.14 -0.61 -1.01 0.00 0.00 177.57 176.22 1rqj h GLN 243 N 1.26 0.82 -0.74 4.17 5.75 -1.13 -1.35 115.11 123.89 1rqj h GLN 243 Ca 0.33 -0.30 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1rqj h GLN 243 Cb -0.05 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.41 1rqj h GLN 243 CO -0.06 0.92 0.46 0.22 -2.65 0.00 0.00 178.83 177.72 1rqj h ASP 244 N 0.73 0.88 -0.62 -0.69 3.58 -0.40 0.34 116.42 120.24 1rqj h ASP 244 Ca 0.12 -0.05 -0.08 0.00 0.42 0.00 0.00 57.03 57.44 1rqj h ASP 244 Cb 0.65 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 1rqj h ASP 244 CO 0.05 0.66 0.07 0.44 -2.88 0.00 0.00 179.24 177.58 1rqj h ASP 245 N 1.01 1.01 -0.48 2.28 3.32 -0.80 -1.77 116.42 120.99 1rqj h ASP 245 Ca 0.27 -0.27 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1rqj h ASP 245 Cb -0.06 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.20 1rqj h ASP 245 CO -0.05 1.03 0.12 0.40 -1.72 0.00 0.00 179.24 179.02 1rqj h ILE 246 N 0.96 1.24 -0.13 0.35 2.04 -0.86 -2.47 117.51 118.63 1rqj h ILE 246 Ca 0.19 -0.83 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 1rqj h ILE 246 Cb 0.47 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1rqj h ILE 246 CO 0.02 0.30 -0.14 -0.07 0.00 0.00 0.00 178.15 178.26 1rqj h LEU 247 N 0.65 0.19 -1.07 1.44 3.38 -0.79 -1.72 115.31 117.40 1rqj h LEU 247 Ca 0.15 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1rqj h LEU 247 Cb 0.33 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1rqj h LEU 247 CO 0.00 0.36 0.01 -0.78 0.09 0.00 0.00 178.44 178.12 1rqj h ASP 248 N 0.20 0.64 0.15 -0.43 1.82 -0.86 0.10 116.42 118.04 1rqj h ASP 248 Ca 0.04 -0.13 -0.01 0.00 -0.39 0.00 0.00 57.03 56.54 1rqj h ASP 248 Cb 0.37 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.21 1rqj h ASP 248 CO 0.02 0.70 -0.07 0.58 -1.61 0.00 0.00 179.24 178.86 1rqj h VAL 249 N 0.64 0.50 0.00 2.25 2.07 -1.20 0.84 116.25 121.35 1rqj h VAL 249 Ca 0.13 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1rqj h VAL 249 Cb 0.38 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1rqj h VAL 249 CO 0.01 0.15 -1.00 1.33 0.02 0.00 0.00 177.57 178.08 1rqj n VAL 250 N -4.89 0.01 -2.50 2.57 0.24 -0.70 -4.64 118.33 108.42 1rqj n VAL 250 Ca -0.05 -0.06 -0.32 0.00 -2.04 0.00 0.00 64.34 61.87 1rqj n VAL 250 Cb 0.20 0.74 -0.03 0.00 -1.47 0.00 0.00 33.84 33.28 1rqj n VAL 250 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1rqj s GLY 251 N -3.17 2.03 0.11 7.63 0.00 0.02 -5.04 107.32 108.90 1rqj s GLY 251 Ca 0.07 0.09 -0.21 0.00 0.00 0.00 0.00 44.72 44.66 1rqj s GLY 251 CO 0.84 0.34 0.64 -0.35 0.00 0.00 0.00 173.10 174.58 1rqj s ASP 252 N -3.10 7.16 0.27 1.64 3.68 -1.26 -4.66 116.67 120.40 1rqj s ASP 252 Ca 0.57 1.39 -0.01 0.00 2.13 0.00 0.00 52.55 56.63 1rqj s ASP 252 Cb -0.10 -2.41 0.50 0.00 -1.45 0.00 0.00 42.92 39.46 1rqj s ASP 252 CO 0.31 0.24 1.82 0.74 0.13 0.00 0.00 175.17 178.42 1rqj h THR 253 N 3.40 0.91 0.00 1.71 2.02 -1.96 -0.11 112.91 118.88 1rqj h THR 253 Ca -0.49 -0.31 -0.06 0.00 0.77 0.00 0.00 66.41 66.32 1rqj h THR 253 Cb 1.21 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1rqj h THR 253 CO 0.64 0.17 -0.30 0.00 0.37 0.00 0.00 175.52 176.40 1rqj h ALA 254 N 1.51 1.17 0.09 6.16 0.00 -1.94 -0.13 119.26 126.12 1rqj h ALA 254 Ca 0.46 -0.27 -0.22 0.00 0.00 0.00 0.00 54.91 54.88 1rqj h ALA 254 Cb 0.45 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1rqj h ALA 254 CO -0.26 0.38 -1.09 1.15 0.00 0.00 0.00 179.25 179.43 1rqj h THR 255 N 0.00 1.21 -0.37 0.00 2.02 -1.74 -3.37 112.91 110.66 1rqj h THR 255 Ca -0.00 -2.39 -0.06 0.00 0.77 0.00 0.00 66.41 64.73 1rqj h THR 255 Cb 0.68 2.83 -0.02 0.00 -1.74 0.00 0.00 68.15 69.91 1rqj h THR 255 CO 0.04 0.64 -0.01 -0.07 0.37 0.00 0.00 175.52 176.49 1rqj h LEU 256 N -0.51 0.56 0.00 2.58 3.38 -1.02 -3.44 115.31 116.87 1rqj h LEU 256 Ca -0.24 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1rqj h LEU 256 Cb 1.57 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1rqj h LEU 256 CO 0.03 0.63 0.00 0.61 0.09 0.00 0.00 178.44 179.81 1rqj n GLY 257 N -0.80 1.28 3.09 0.83 0.00 -0.07 -4.58 105.19 104.94 1rqj n GLY 257 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 1rqj n GLY 257 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rqj s LYS 258 N -0.07 0.62 -0.08 1.61 -2.85 -1.24 -1.04 119.74 116.68 1rqj s LYS 258 Ca 0.00 -1.22 -0.30 0.00 -1.00 0.00 0.00 55.97 53.46 1rqj s LYS 258 Cb 0.00 0.19 -0.04 0.00 -2.06 0.00 0.00 37.83 35.91 1rqj s LYS 258 CO 0.00 -0.10 1.50 1.03 0.10 0.00 0.00 175.35 177.88 1rqj s ARG 259 N -3.88 4.21 0.40 1.78 0.52 -1.26 -4.43 118.95 116.28 1rqj s ARG 259 Ca 0.07 2.00 -0.27 0.00 -0.52 0.00 0.00 55.73 57.02 1rqj s ARG 259 Cb 0.08 -3.87 -0.10 0.00 0.52 0.00 0.00 34.95 31.57 1rqj s ARG 259 CO -0.10 -0.77 1.35 0.94 0.02 0.00 0.00 175.30 176.74 1rqj n GLN 260 N 6.77 2.18 -1.04 3.54 7.27 -1.26 -2.75 117.38 132.09 1rqj n GLN 260 Ca 0.16 0.77 -0.01 0.00 0.07 0.00 0.00 57.00 57.99 1rqj n GLN 260 Cb 0.43 -2.47 -0.01 0.00 2.41 0.00 0.00 30.24 30.61 1rqj n GLN 260 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1rqj n GLY 261 N 0.69 0.50 0.35 1.69 0.00 0.29 -4.92 105.19 103.79 1rqj n GLY 261 Ca 0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 46.02 45.75 1rqj n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rqj h ALA 262 N 0.00 1.20 -0.33 4.61 0.00 -1.75 -2.53 119.26 120.46 1rqj h ALA 262 Ca -0.03 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1rqj h ALA 262 Cb 0.22 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1rqj h ALA 262 CO 0.04 0.64 -0.22 -0.44 0.00 0.00 0.00 179.25 179.27 1rqj h ASP 263 N 1.19 0.76 -0.64 0.00 3.32 -1.89 -2.88 116.42 116.27 1rqj h ASP 263 Ca 0.30 -0.43 -0.06 0.00 0.02 0.00 0.00 57.03 56.86 1rqj h ASP 263 Cb 0.04 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 1rqj h ASP 263 CO -0.05 1.03 0.20 -0.61 -1.72 0.00 0.00 179.24 178.09 1rqj h GLN 264 N 0.50 1.03 -0.46 3.56 4.15 -1.88 0.49 115.11 122.50 1rqj h GLN 264 Ca 0.07 -0.21 -0.02 0.00 0.77 0.00 0.00 58.65 59.25 1rqj h GLN 264 Cb 0.77 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.28 1rqj h GLN 264 CO 0.06 0.89 0.18 0.37 -1.93 0.00 0.00 178.83 178.40 1rqj h GLN 265 N 0.99 0.65 -0.10 1.69 4.15 -1.33 -2.62 115.11 118.54 1rqj h GLN 265 Ca 0.22 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.55 1rqj h GLN 265 Cb 0.30 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.86 1rqj h GLN 265 CO -0.01 0.54 0.00 1.28 -1.93 0.00 0.00 178.83 178.71 1rqj n LEU 266 N -4.36 2.76 -2.63 -2.39 4.77 -0.95 -4.98 117.00 109.22 1rqj n LEU 266 Ca 0.03 -0.99 -0.20 0.00 -0.03 0.00 0.00 56.01 54.83 1rqj n LEU 266 Cb 0.15 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1rqj n LEU 266 CO 0.38 0.49 -0.04 0.61 -1.33 0.00 0.00 177.39 177.50 1rqj n GLY 267 N 1.34 -0.40 3.76 -0.72 0.00 0.05 -4.37 105.19 104.85 1rqj n GLY 267 Ca 0.16 0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1rqj n GLY 267 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rqj n LYS 268 N -3.55 2.70 -2.03 1.61 4.76 -0.54 -0.72 118.16 120.40 1rqj n LYS 268 Ca -0.12 0.95 -0.43 0.00 -2.87 0.00 0.00 58.31 55.84 1rqj n LYS 268 Cb 0.62 -2.71 -0.03 0.00 -1.84 0.00 0.00 35.03 31.07 1rqj n LYS 268 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1rqj s SER 269 N 0.21 6.39 0.25 4.39 0.01 -1.25 -4.86 113.70 118.84 1rqj s SER 269 Ca 0.59 1.86 0.03 0.00 1.31 0.00 0.00 55.95 59.73 1rqj s SER 269 Cb -0.48 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.16 1rqj s SER 269 CO 0.56 -1.21 0.04 0.42 0.41 0.00 0.00 173.24 173.46 1rqj s THR 270 N 5.08 0.86 0.06 1.44 -4.23 -1.26 -5.01 115.64 112.58 1rqj s THR 270 Ca 0.75 -2.01 -0.28 0.00 -1.18 0.00 0.00 61.69 58.97 1rqj s THR 270 Cb -0.29 -2.50 -0.17 0.00 1.34 0.00 0.00 72.50 70.88 1rqj s THR 270 CO 0.30 -0.17 1.56 1.88 -0.54 0.00 0.00 174.62 177.65 1rqj h TYR 271 N 2.40 -0.42 -0.31 3.99 0.05 -1.93 -2.13 116.97 118.61 1rqj h TYR 271 Ca -0.39 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.35 1rqj h TYR 271 Cb 1.23 0.14 -0.02 0.00 1.01 0.00 0.00 36.73 39.10 1rqj h TYR 271 CO 0.53 -0.20 0.04 -1.00 -1.05 0.00 0.00 178.16 176.48 1rqj h PRO 272 N -0.55 0.46 -0.35 4.88 0.13 -1.88 0.11 132.00 134.79 1rqj h PRO 272 Ca -0.05 -0.08 -0.05 0.00 -0.87 0.00 0.00 66.00 64.95 1rqj h PRO 272 Cb 0.41 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 1rqj h PRO 272 CO 0.08 0.46 0.01 0.00 -0.23 0.00 0.00 178.00 178.31 1rqj h ALA 273 N 1.60 0.47 0.25 -0.56 0.00 -1.87 0.35 119.26 119.50 1rqj h ALA 273 Ca 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1rqj h ALA 273 Cb 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1rqj h ALA 273 CO 0.00 0.23 -0.12 1.25 0.00 0.00 0.00 179.25 180.61 1rqj h LEU 274 N 0.43 -0.28 0.00 0.00 5.85 -1.18 -3.39 115.31 116.74 1rqj h LEU 274 Ca 0.10 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1rqj h LEU 274 Cb 0.45 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1rqj h LEU 274 CO 0.02 0.20 -1.10 0.18 -0.34 0.00 0.00 178.44 177.40 1rqj n LEU 275 N -5.02 0.66 0.00 2.25 4.77 0.37 -5.09 117.00 114.95 1rqj n LEU 275 Ca -0.08 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 1rqj n LEU 275 Cb 0.26 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1rqj n LEU 275 CO 0.25 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1rqj n GLY 276 N 1.42 -1.90 0.35 -0.72 0.00 0.11 -4.30 105.19 100.15 1rqj n GLY 276 Ca 0.02 -1.52 -0.05 0.00 0.00 0.00 0.00 46.02 44.47 1rqj n GLY 276 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rqj h LEU 277 N 0.00 1.11 -0.29 0.99 3.38 -1.90 -2.65 115.31 115.95 1rqj h LEU 277 Ca 0.00 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1rqj h LEU 277 Cb 0.00 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1rqj h LEU 277 CO 0.00 0.96 0.01 -0.08 0.09 0.00 0.00 178.44 179.42 1rqj h GLU 278 N 1.18 0.51 -0.02 1.13 4.81 -1.96 -1.69 114.58 118.55 1rqj h GLU 278 Ca 0.27 -0.16 -0.15 0.00 -0.13 0.00 0.00 59.36 59.20 1rqj h GLU 278 Cb 0.19 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1rqj h GLU 278 CO -0.03 0.65 -0.66 1.96 -0.73 0.00 0.00 179.01 180.20 1rqj h GLN 279 N 0.30 0.10 -0.28 1.92 4.20 -1.74 -1.88 115.11 117.74 1rqj h GLN 279 Ca 0.08 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 1rqj h GLN 279 Cb 0.42 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1rqj h GLN 279 CO 0.01 0.73 0.03 0.00 -0.67 0.00 0.00 178.83 178.93 1rqj h ALA 280 N 1.25 0.38 -0.81 3.87 0.00 -1.40 -0.86 119.26 121.68 1rqj h ALA 280 Ca -0.01 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1rqj h ALA 280 Cb 1.18 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1rqj h ALA 280 CO 0.09 0.08 0.53 0.00 0.00 0.00 0.00 179.25 179.95 1rqj h ARG 281 N 0.28 1.01 -0.60 0.00 3.08 -1.17 -1.00 114.38 115.99 1rqj h ARG 281 Ca 0.08 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 1rqj h ARG 281 Cb 0.36 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1rqj h ARG 281 CO 0.01 0.67 0.14 -0.22 -1.07 0.00 0.00 179.97 179.50 1rqj h LYS 282 N 1.04 0.96 -0.71 0.04 1.63 -1.23 -1.03 116.57 117.27 1rqj h LYS 282 Ca 0.32 -0.23 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 1rqj h LYS 282 Cb -0.04 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.43 1rqj h LYS 282 CO -0.10 0.88 0.42 0.87 -3.45 0.00 0.00 179.45 178.08 1rqj h LYS 283 N 0.87 0.97 -0.46 1.90 1.79 -0.47 -0.47 116.57 120.70 1rqj h LYS 283 Ca 0.19 -0.09 -0.04 0.00 -2.18 0.00 0.00 60.65 58.52 1rqj h LYS 283 Cb 0.36 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 1rqj h LYS 283 CO 0.00 0.70 0.12 0.00 -1.08 0.00 0.00 179.45 179.19 1rqj h ALA 284 N 1.22 0.61 -0.59 3.86 0.00 -0.84 -1.39 119.26 122.13 1rqj h ALA 284 Ca 0.26 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1rqj h ALA 284 Cb -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1rqj h ALA 284 CO -0.05 0.30 0.10 -0.09 0.00 0.00 0.00 179.25 179.51 1rqj h ARG 285 N 0.62 0.96 -0.28 0.00 2.43 -0.99 -1.74 114.38 115.39 1rqj h ARG 285 Ca 0.15 -0.25 -0.08 0.00 -0.81 0.00 0.00 59.98 58.98 1rqj h ARG 285 Cb 0.32 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1rqj h ARG 285 CO 0.00 0.91 -0.18 -0.44 -1.51 0.00 0.00 179.97 178.75 1rqj h ASP 286 N 0.87 0.49 -0.52 -3.80 3.45 -0.95 -0.88 116.42 115.07 1rqj h ASP 286 Ca 0.18 -0.14 -0.09 0.00 0.43 0.00 0.00 57.03 57.41 1rqj h ASP 286 Cb 0.41 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 39.03 1rqj h ASP 286 CO 0.01 0.69 -0.01 -0.07 -1.57 0.00 0.00 179.24 178.29 1rqj h LEU 287 N 0.45 0.91 -0.38 1.55 3.38 -0.96 -1.54 115.31 118.72 1rqj h LEU 287 Ca 0.08 -0.31 -0.13 0.00 0.09 0.00 0.00 57.88 57.60 1rqj h LEU 287 Cb 0.58 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1rqj h LEU 287 CO 0.04 1.00 -0.27 0.40 0.09 0.00 0.00 178.44 179.70 1rqj h ILE 288 N 0.80 1.28 -0.71 1.22 1.08 -1.06 -0.22 117.51 119.90 1rqj h ILE 288 Ca 0.15 -1.43 0.01 0.00 -0.39 0.00 0.00 64.86 63.20 1rqj h ILE 288 Cb 0.54 1.37 -0.04 0.00 -3.07 0.00 0.00 36.82 35.62 1rqj h ILE 288 CO 0.03 0.48 0.47 0.44 -0.69 0.00 0.00 178.15 178.87 1rqj h ASP 289 N 0.65 0.80 -0.25 1.72 3.45 -1.13 0.12 116.42 121.79 1rqj h ASP 289 Ca 0.07 -0.02 -0.14 0.00 0.43 0.00 0.00 57.03 57.38 1rqj h ASP 289 Cb 0.85 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.41 1rqj h ASP 289 CO 0.07 0.58 -0.33 -0.78 -1.57 0.00 0.00 179.24 177.21 1rqj h ASP 290 N 0.95 0.81 -0.61 6.45 3.58 -0.93 -1.86 116.42 124.81 1rqj h ASP 290 Ca 0.26 -0.34 -0.06 0.00 0.42 0.00 0.00 57.03 57.32 1rqj h ASP 290 Cb -0.09 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.71 1rqj h ASP 290 CO -0.06 1.07 0.17 0.00 -2.88 0.00 0.00 179.24 177.54 1rqj h ALA 291 N 0.98 0.81 -0.83 -0.78 0.00 -0.21 -2.14 119.26 117.09 1rqj h ALA 291 Ca 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1rqj h ALA 291 Cb 0.87 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1rqj h ALA 291 CO 0.08 0.50 0.42 0.00 0.00 0.00 0.00 179.25 180.25 1rqj h ARG 292 N 0.89 1.18 -0.34 0.00 3.08 -0.59 -2.37 114.38 116.24 1rqj h ARG 292 Ca 0.20 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1rqj h ARG 292 Cb 0.33 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1rqj h ARG 292 CO -0.00 0.89 0.15 1.96 -1.07 0.00 0.00 179.97 181.90 1rqj h GLN 293 N 1.18 0.49 -0.63 0.04 1.08 -0.99 -2.13 115.11 114.16 1rqj h GLN 293 Ca 0.29 -0.08 0.07 0.00 -1.45 0.00 0.00 58.65 57.48 1rqj h GLN 293 Cb 0.08 -0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 27.37 1rqj h GLN 293 CO -0.04 0.47 0.32 0.77 -0.95 0.00 0.00 178.83 179.40 1rqj h SER 294 N 0.40 0.43 0.03 1.46 0.02 -1.16 -1.95 113.55 112.78 1rqj h SER 294 Ca 0.11 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1rqj h SER 294 Cb 0.15 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1rqj h SER 294 CO -0.01 0.28 -0.06 -0.07 -1.14 0.00 0.00 176.83 175.82 1rqj h LEU 295 N 0.58 0.07 -1.26 5.07 3.38 -0.97 -2.49 115.31 119.68 1rqj h LEU 295 Ca 0.29 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.32 1rqj h LEU 295 Cb 0.24 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 1rqj h LEU 295 CO -0.21 0.15 0.53 0.11 0.09 0.00 0.00 178.44 179.11 1rqj h LYS 296 N 0.08 0.86 -0.39 1.13 1.57 -0.71 -0.58 116.57 118.54 1rqj h LYS 296 Ca 0.02 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1rqj h LYS 296 Cb 0.17 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1rqj h LYS 296 CO 0.01 0.57 0.17 1.96 -0.57 0.00 0.00 179.45 181.59 1rqj h GLN 297 N 0.89 0.55 0.11 3.15 4.20 -1.47 -1.90 115.11 120.64 1rqj h GLN 297 Ca 0.35 -0.06 -0.28 0.00 0.06 0.00 0.00 58.65 58.72 1rqj h GLN 297 Cb 0.24 -0.11 0.02 0.00 0.30 0.00 0.00 27.48 27.93 1rqj h GLN 297 CO -0.13 0.44 -1.21 -0.07 -0.67 0.00 0.00 178.83 177.20 1rqj h LEU 298 N 0.55 0.68 -1.83 1.46 3.38 -1.29 -3.26 115.31 115.00 1rqj h LEU 298 Ca 0.14 -0.64 -0.03 0.00 0.09 0.00 0.00 57.88 57.43 1rqj h LEU 298 Cb 0.09 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1rqj h LEU 298 CO -0.02 1.47 -0.14 0.00 0.09 0.00 0.00 178.44 179.84 1rqj h ALA 299 N 0.45 1.39 0.00 1.53 0.00 -0.91 -1.66 119.26 120.06 1rqj h ALA 299 Ca -0.16 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1rqj h ALA 299 Cb 1.89 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 1rqj h ALA 299 CO 0.22 0.18 -0.14 1.49 0.00 0.00 0.00 179.25 181.00 1rqj h GLU 300 N 0.00 0.00 -0.67 0.00 4.81 -1.39 -2.50 114.58 114.83 1rqj h GLU 300 Ca -0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1rqj h GLU 300 Cb 0.34 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 1rqj h GLU 300 CO 0.02 0.14 0.08 1.04 -0.73 0.00 0.00 179.01 179.56 1rqj n GLN 301 N -4.02 4.28 -2.65 1.92 6.02 -0.64 -4.93 117.38 117.35 1rqj n GLN 301 Ca -0.02 -2.87 -0.21 0.00 -0.01 0.00 0.00 57.00 53.88 1rqj n GLN 301 Cb 0.23 -2.19 0.01 0.00 1.02 0.00 0.00 30.24 29.30 1rqj n GLN 301 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1rqj n SER 302 N 0.37 -5.93 -4.80 1.08 7.64 -0.94 -5.01 113.62 106.02 1rqj n SER 302 Ca 0.29 -0.13 -0.38 0.00 1.01 0.00 0.00 58.87 59.66 1rqj n SER 302 Cb 1.18 -4.86 -0.06 0.00 -1.01 0.00 0.00 64.21 59.46 1rqj n SER 302 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1rqj s LEU 303 N -6.17 4.40 -0.60 -3.43 1.43 -1.11 -5.04 118.68 108.16 1rqj s LEU 303 Ca 0.13 0.85 -0.28 0.00 -1.03 0.00 0.00 54.13 53.80 1rqj s LEU 303 Cb -0.06 -2.55 0.02 0.00 0.03 0.00 0.00 46.19 43.63 1rqj s LEU 303 CO 0.16 0.23 1.31 -0.62 0.23 0.00 0.00 176.35 177.66 1rqj s ASP 304 N -0.51 6.26 -0.01 2.29 -1.08 -1.26 -4.02 116.67 118.33 1rqj s ASP 304 Ca 0.23 0.09 0.18 0.00 -0.52 0.00 0.00 52.55 52.53 1rqj s ASP 304 Cb -0.16 -2.55 0.55 0.00 -1.46 0.00 0.00 42.92 39.30 1rqj s ASP 304 CO 0.11 -1.64 1.45 0.35 0.52 0.00 0.00 175.17 175.96 1rqj n THR 305 N 6.71 0.92 -0.29 1.71 -2.24 -1.26 -4.62 114.28 115.21 1rqj n THR 305 Ca 0.09 -0.84 -0.06 0.00 -2.27 0.00 0.00 64.05 60.98 1rqj n THR 305 Cb 0.49 0.36 0.06 0.00 -2.10 0.00 0.00 70.33 69.14 1rqj n THR 305 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1rqj h SER 306 N 3.55 1.08 -0.36 3.42 4.64 -1.99 -0.92 113.55 122.97 1rqj h SER 306 Ca 0.00 -0.17 -0.11 0.00 -0.47 0.00 0.00 61.79 61.03 1rqj h SER 306 Cb 0.88 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.67 1rqj h SER 306 CO 0.03 0.96 -0.19 0.00 -0.87 0.00 0.00 176.83 176.76 1rqj h ALA 307 N 1.16 0.85 -0.02 5.18 0.00 -1.95 -2.17 119.26 122.31 1rqj h ALA 307 Ca 0.26 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1rqj h ALA 307 Cb 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1rqj h ALA 307 CO -0.02 0.64 -0.54 -0.07 0.00 0.00 0.00 179.25 179.26 1rqj h LEU 308 N 0.74 0.06 -0.01 0.00 3.38 -1.75 -0.93 115.31 116.80 1rqj h LEU 308 Ca 0.11 -0.03 -0.26 0.00 0.09 0.00 0.00 57.88 57.78 1rqj h LEU 308 Cb 0.72 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.46 1rqj h LEU 308 CO 0.06 0.59 -1.10 1.05 0.09 0.00 0.00 178.44 179.12 1rqj h GLU 309 N 0.04 0.48 -0.41 1.13 4.11 -1.13 -1.87 114.58 116.93 1rqj h GLU 309 Ca -0.00 -0.60 -0.10 0.00 0.07 0.00 0.00 59.36 58.72 1rqj h GLU 309 Cb 0.97 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 1rqj h GLU 309 CO 0.07 1.23 -0.16 0.00 0.07 0.00 0.00 179.01 180.22 1rqj h ALA 310 N 0.54 0.94 -0.40 1.06 0.00 -1.29 -1.94 119.26 118.18 1rqj h ALA 310 Ca -0.13 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1rqj h ALA 310 Cb 1.76 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1rqj h ALA 310 CO 0.20 0.61 0.02 1.25 0.00 0.00 0.00 179.25 181.33 1rqj h LEU 311 N 0.69 0.67 -0.56 0.00 7.12 -1.19 -1.63 115.31 120.41 1rqj h LEU 311 Ca 0.11 -0.29 0.05 0.00 0.13 0.00 0.00 57.88 57.88 1rqj h LEU 311 Cb 0.66 -0.18 -0.05 0.00 -0.53 0.00 0.00 40.66 40.56 1rqj h LEU 311 CO 0.05 0.80 0.29 0.00 -0.13 0.00 0.00 178.44 179.44 1rqj h ALA 312 N 0.90 0.73 -0.59 1.25 0.00 -1.05 -0.48 119.26 120.01 1rqj h ALA 312 Ca 0.12 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1rqj h ALA 312 Cb 0.44 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1rqj h ALA 312 CO 0.02 -0.06 -0.04 -0.44 0.00 0.00 0.00 179.25 178.73 1rqj h ASP 313 N 0.55 1.05 -0.33 0.00 3.45 -1.26 -3.02 116.42 116.86 1rqj h ASP 313 Ca 0.25 -0.32 -0.05 0.00 0.43 0.00 0.00 57.03 57.34 1rqj h ASP 313 Cb 0.16 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.63 1rqj h ASP 313 CO -0.17 1.12 0.04 0.22 -1.57 0.00 0.00 179.24 178.88 1rqj h TYR 314 N 0.96 0.67 -0.63 4.55 5.03 -0.63 -1.44 116.97 125.49 1rqj h TYR 314 Ca 0.16 -0.07 0.18 0.00 2.58 0.00 0.00 58.73 61.59 1rqj h TYR 314 Cb 0.61 -0.19 -0.03 0.00 1.55 0.00 0.00 36.73 38.67 1rqj h TYR 314 CO 0.04 0.62 0.46 0.82 -1.32 0.00 0.00 178.16 178.78 1rqj h ILE 315 N 0.62 0.65 -0.00 1.81 2.04 -0.97 -0.28 117.51 121.38 1rqj h ILE 315 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.99 1rqj h ILE 315 Cb 0.33 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1rqj h ILE 315 CO 0.01 0.00 -0.26 2.30 0.00 0.00 0.00 178.15 180.20 1rqj n ILE 316 N -4.29 0.00 0.06 -0.67 -5.35 -0.98 -4.54 119.36 103.59 1rqj n ILE 316 Ca 0.12 -0.37 0.11 0.00 -0.27 0.00 0.00 62.75 62.34 1rqj n ILE 316 Cb 0.71 1.05 -0.10 0.00 -1.74 0.00 0.00 39.64 39.57 1rqj n ILE 316 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1rqj n GLN 317 N -0.69 0.62 -1.67 6.28 6.02 -0.58 -4.98 117.38 122.38 1rqj n GLN 317 Ca 0.03 -0.07 -0.34 0.00 -0.01 0.00 0.00 57.00 56.61 1rqj n GLN 317 Cb 0.15 -1.64 0.06 0.00 1.02 0.00 0.00 30.24 29.83 1rqj n GLN 317 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1rqj s ARG 318 N -3.45 2.59 -0.06 -1.09 1.70 -0.17 -4.95 118.95 113.52 1rqj s ARG 318 Ca -0.05 1.55 0.10 0.00 -0.47 0.00 0.00 55.73 56.87 1rqj s ARG 318 Cb 0.12 -1.91 0.26 0.00 -0.57 0.00 0.00 34.95 32.86 1rqj s ARG 318 CO 0.86 -1.45 1.20 0.09 -1.08 0.00 0.00 175.30 174.92 1rqj n ASN 319 N -2.44 2.76 0.00 -2.89 3.02 -1.26 -5.05 115.26 109.40 1rqj n ASN 319 Ca 0.12 -2.41 0.00 0.00 -0.03 0.00 0.00 54.58 52.26 1rqj n ASN 319 Cb 0.51 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 1rqj n ASN 319 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93