#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rqi h PHE 24 N 0.00 1.02 -0.29 -0.67 3.57 -2.01 -2.94 116.94 115.63 1rqi h PHE 24 Ca 0.00 -0.47 0.05 0.00 3.53 0.00 0.00 57.97 61.08 1rqi h PHE 24 Cb 0.00 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 1rqi h PHE 24 CO 0.00 1.30 0.20 -1.35 -2.23 0.00 0.00 178.31 176.22 1rqi h PRO 25 N 0.50 0.17 -0.20 6.41 0.11 -2.01 -1.05 132.00 135.92 1rqi h PRO 25 Ca -0.06 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.87 1rqi h PRO 25 Cb 1.44 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.51 1rqi h PRO 25 CO 0.16 0.11 -0.57 1.96 -0.21 0.00 0.00 178.00 179.45 1rqi h GLN 26 N 0.17 0.62 -0.08 1.05 4.20 -1.97 -2.20 115.11 116.90 1rqi h GLN 26 Ca 0.13 -0.41 -0.09 0.00 0.06 0.00 0.00 58.65 58.34 1rqi h GLN 26 Cb 0.28 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1rqi h GLN 26 CO -0.02 1.02 -0.37 1.96 -0.67 0.00 0.00 178.83 180.75 1rqi h GLN 27 N 0.47 0.16 -0.21 1.46 7.50 -1.23 0.52 115.11 123.77 1rqi h GLN 27 Ca 0.00 -0.06 -0.03 0.00 0.50 0.00 0.00 58.65 59.06 1rqi h GLN 27 Cb 1.14 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.65 1rqi h GLN 27 CO 0.11 0.51 0.01 -0.07 -1.50 0.00 0.00 178.83 177.89 1rqi h LEU 28 N 0.13 0.36 -0.03 1.46 4.07 -1.17 -1.75 115.31 118.38 1rqi h LEU 28 Ca 0.01 -0.30 -0.01 0.00 0.08 0.00 0.00 57.88 57.67 1rqi h LEU 28 Cb 0.72 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.36 1rqi h LEU 28 CO 0.05 0.57 -0.00 -0.08 -1.08 0.00 0.00 178.44 177.90 1rqi h GLU 29 N 0.14 0.06 -0.79 1.13 4.81 -0.97 -0.37 114.58 118.59 1rqi h GLU 29 Ca 0.06 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1rqi h GLU 29 Cb 0.38 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.71 1rqi h GLU 29 CO 0.01 0.36 0.52 0.00 -0.73 0.00 0.00 179.01 179.16 1rqi h ALA 30 N 0.70 1.62 -0.48 2.92 0.00 -0.98 -2.03 119.26 121.00 1rqi h ALA 30 Ca 0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1rqi h ALA 30 Cb 0.33 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1rqi h ALA 30 CO 0.00 0.26 0.03 0.00 0.00 0.00 0.00 179.25 179.55 1rqi h VAL 32 N 0.69 1.02 -0.15 0.00 2.07 -0.56 0.79 116.25 120.12 1rqi h VAL 32 Ca 0.14 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1rqi h VAL 32 Cb 0.47 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1rqi h VAL 32 CO 0.02 0.12 -0.01 0.11 0.02 0.00 0.00 177.57 177.82 1rqi h LYS 33 N 0.64 0.28 -0.67 1.57 1.57 -1.23 -1.27 116.57 117.46 1rqi h LYS 33 Ca 0.24 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1rqi h LYS 33 Cb 0.08 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 1rqi h LYS 33 CO -0.13 0.52 0.42 0.37 -0.57 0.00 0.00 179.45 180.07 1rqi h GLN 34 N 0.00 0.81 -0.17 3.15 5.75 -0.97 -2.00 115.11 121.69 1rqi h GLN 34 Ca 0.04 -0.05 -0.18 0.00 -0.15 0.00 0.00 58.65 58.31 1rqi h GLN 34 Cb 0.41 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 28.77 1rqi h GLN 34 CO 0.01 0.54 -0.64 0.00 -2.65 0.00 0.00 178.83 176.09 1rqi h ALA 35 N 1.27 0.55 -0.39 3.38 0.00 -0.73 -2.12 119.26 121.22 1rqi h ALA 35 Ca 0.26 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 1rqi h ALA 35 Cb -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1rqi h ALA 35 CO -0.09 0.70 -0.10 -0.91 0.00 0.00 0.00 179.25 178.85 1rqi h ASN 36 N 0.46 0.66 0.17 0.00 2.35 -1.04 -0.94 115.58 117.23 1rqi h ASN 36 Ca -0.01 -0.18 -0.18 0.00 -0.55 0.00 0.00 56.30 55.38 1rqi h ASN 36 Cb 1.22 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 39.41 1rqi h ASN 36 CO 0.12 0.80 -0.67 0.06 -1.65 0.00 0.00 177.43 176.09 1rqi h GLN 37 N 0.62 0.46 0.07 0.81 3.07 -1.27 -1.63 115.11 117.24 1rqi h GLN 37 Ca 0.11 -0.35 -0.00 0.00 0.09 0.00 0.00 58.65 58.50 1rqi h GLN 37 Cb 0.54 0.06 -0.00 0.00 0.08 0.00 0.00 27.48 28.16 1rqi h GLN 37 CO 0.03 0.97 -0.04 0.00 0.09 0.00 0.00 178.83 179.88 1rqi h ALA 38 N 0.94 -0.10 -0.20 0.06 0.00 -0.98 0.46 119.26 119.44 1rqi h ALA 38 Ca -0.02 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1rqi h ALA 38 Cb 1.23 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1rqi h ALA 38 CO 0.12 -0.56 0.10 -0.07 0.00 0.00 0.00 179.25 178.84 1rqi h LEU 39 N -0.11 0.14 -1.09 0.00 3.38 -1.18 -2.31 115.31 114.14 1rqi h LEU 39 Ca -0.01 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1rqi h LEU 39 Cb 0.09 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 1rqi h LEU 39 CO 0.01 0.11 0.61 0.28 0.09 0.00 0.00 178.44 179.55 1rqi h SER 40 N 0.21 0.98 -0.60 -0.43 0.02 -1.19 0.25 113.55 112.79 1rqi h SER 40 Ca 0.08 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.08 1rqi h SER 40 Cb 0.02 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.30 1rqi h SER 40 CO -0.06 0.64 0.33 -0.09 -1.14 0.00 0.00 176.83 176.52 1rqi h ARG 41 N 1.12 0.62 0.00 3.45 2.43 -0.48 -0.96 114.38 120.56 1rqi h ARG 41 Ca 0.40 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 1rqi h ARG 41 Cb 0.13 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1rqi h ARG 41 CO -0.14 0.41 -0.15 0.74 -1.51 0.00 0.00 179.97 179.31 1rqi h PHE 42 N 0.64 0.00 0.00 2.20 0.05 -0.82 -3.25 116.94 115.76 1rqi h PHE 42 Ca 0.26 0.00 -0.25 0.00 3.82 0.00 0.00 57.97 61.80 1rqi h PHE 42 Cb 0.12 0.00 -0.04 0.00 2.00 0.00 0.00 35.95 38.03 1rqi h PHE 42 CO -0.08 0.00 -1.66 -0.89 -0.18 0.00 0.00 178.31 175.50 1rqi n ILE 43 N -2.52 1.44 -0.10 -0.55 5.41 -0.00 -4.53 119.36 118.51 1rqi n ILE 43 Ca 0.04 -0.76 -0.06 0.00 1.00 0.00 0.00 62.75 62.97 1rqi n ILE 43 Cb 0.47 -0.89 0.00 0.00 -0.71 0.00 0.00 39.64 38.51 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 1.15 0.21 0.00 -1.39 0.00 -1.21 -2.44 119.26 115.58 1rqi h ALA 44 Ca -0.26 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1rqi h ALA 44 Cb 1.88 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.95 1rqi h ALA 44 CO 0.06 -0.47 0.00 -0.35 0.00 0.00 0.00 179.25 178.49 1rqi n PRO 45 N -5.29 0.21 -2.15 0.00 -0.04 -1.26 -4.86 135.00 121.61 1rqi n PRO 45 Ca 0.01 0.13 -0.36 0.00 -0.04 0.00 0.00 63.50 63.25 1rqi n PRO 45 Cb 0.20 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.18 1rqi n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1rqi s LEU 46 N -2.65 3.72 0.97 1.53 1.43 -0.92 -5.03 118.68 117.73 1rqi s LEU 46 Ca 0.15 2.28 -0.13 0.00 -1.03 0.00 0.00 54.13 55.40 1rqi s LEU 46 Cb 0.12 -4.58 0.17 0.00 0.03 0.00 0.00 46.19 41.93 1rqi s LEU 46 CO 0.28 -1.37 1.13 -2.16 0.23 0.00 0.00 176.35 174.46 1rqi s PRO 47 N -3.28 0.63 -1.38 1.29 0.04 -1.26 -4.29 135.00 126.75 1rqi s PRO 47 Ca 0.75 0.28 -0.01 0.00 0.04 0.00 0.00 61.00 62.05 1rqi s PRO 47 Cb -0.27 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1rqi s PRO 47 CO 0.30 -2.54 0.16 1.19 0.04 0.00 0.00 177.00 176.15 1rqi n PHE 48 N -4.00 -1.06 -1.71 0.56 3.72 -1.26 -4.96 117.46 108.75 1rqi n PHE 48 Ca 0.07 0.14 -0.43 0.00 -0.05 0.00 0.00 57.45 57.18 1rqi n PHE 48 Cb 0.59 -3.54 -0.02 0.00 -0.94 0.00 0.00 39.48 35.57 1rqi n PHE 48 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1rqi n GLN 49 N -2.87 2.32 -1.84 -1.08 1.13 -1.26 -2.33 117.38 111.46 1rqi n GLN 49 Ca -0.16 0.82 -0.12 0.00 -1.94 0.00 0.00 57.00 55.60 1rqi n GLN 49 Cb 0.63 -2.51 -0.02 0.00 0.11 0.00 0.00 30.24 28.45 1rqi n GLN 49 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1rqi n ASN 50 N 1.75 -4.02 -4.78 1.08 3.02 -1.26 -5.03 115.26 106.02 1rqi n ASN 50 Ca 0.08 0.12 -0.28 0.00 -0.03 0.00 0.00 54.58 54.47 1rqi n ASN 50 Cb 0.35 -2.94 -0.06 0.00 -0.61 0.00 0.00 39.78 36.51 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 -2.52 4.47 0.26 3.41 -4.23 -0.98 -4.99 115.64 111.06 1rqi s THR 51 Ca 0.00 -0.95 -0.09 0.00 -1.18 0.00 0.00 61.69 59.47 1rqi s THR 51 Cb 0.00 -3.22 0.37 0.00 1.34 0.00 0.00 72.50 70.99 1rqi s THR 51 CO 0.00 -0.00 1.59 -0.65 -0.54 0.00 0.00 174.62 175.02 1rqi h PRO 52 N 2.83 0.01 -0.72 3.99 0.11 -1.96 -1.50 132.00 134.75 1rqi h PRO 52 Ca -0.47 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1rqi h PRO 52 Cb 1.18 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1rqi h PRO 52 CO 0.64 0.01 0.24 -0.24 -0.21 0.00 0.00 178.00 178.44 1rqi h VAL 53 N 0.01 1.25 0.06 3.15 3.04 -1.91 -0.89 116.25 120.97 1rqi h VAL 53 Ca 0.43 -0.86 -0.24 0.00 -1.01 0.00 0.00 66.70 65.02 1rqi h VAL 53 Cb 0.70 0.44 0.00 0.00 -2.01 0.00 0.00 31.29 30.41 1rqi h VAL 53 CO -0.87 0.34 -1.07 0.58 -1.01 0.00 0.00 177.57 175.53 1rqi h VAL 54 N 1.07 1.46 -0.33 1.51 2.07 -1.70 -2.21 116.25 118.11 1rqi h VAL 54 Ca 0.24 -2.76 0.04 0.00 0.82 0.00 0.00 66.70 65.04 1rqi h VAL 54 Cb 0.27 2.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 1rqi h VAL 54 CO -0.01 0.81 0.23 -0.33 0.02 0.00 0.00 177.57 178.29 1rqi h GLU 55 N 0.14 0.27 -0.01 1.57 5.08 -0.96 -1.25 114.58 119.43 1rqi h GLU 55 Ca -0.10 -0.02 -0.23 0.00 -1.00 0.00 0.00 59.36 58.01 1rqi h GLU 55 Cb 1.75 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.94 1rqi h GLU 55 CO 0.18 0.18 -0.95 1.15 -1.00 0.00 0.00 179.01 178.57 1rqi h THR 56 N 0.28 1.38 -0.69 1.13 2.02 -0.91 -1.95 112.91 114.18 1rqi h THR 56 Ca 0.14 -2.40 -0.06 0.00 0.77 0.00 0.00 66.41 64.87 1rqi h THR 56 Cb 0.21 2.39 -0.03 0.00 -1.74 0.00 0.00 68.15 68.99 1rqi h THR 56 CO -0.03 0.72 0.21 0.24 0.37 0.00 0.00 175.52 177.03 1rqi h MET 57 N 0.26 1.06 -0.14 6.66 2.86 -0.93 -1.36 114.93 123.35 1rqi h MET 57 Ca -0.08 -0.22 -0.11 0.00 -2.06 0.00 0.00 59.70 57.22 1rqi h MET 57 Cb 1.58 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 33.09 1rqi h MET 57 CO 0.17 0.91 -0.34 1.96 1.06 0.00 0.00 176.91 180.66 1rqi h GLN 58 N 1.02 0.47 -0.42 1.72 4.20 -1.20 -1.43 115.11 119.48 1rqi h GLN 58 Ca 0.22 -0.33 0.04 0.00 0.06 0.00 0.00 58.65 58.65 1rqi h GLN 58 Cb 0.29 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.09 1rqi h GLN 58 CO -0.01 0.94 0.19 -0.92 -0.67 0.00 0.00 178.83 178.37 1rqi h TYR 59 N 0.08 0.35 -0.03 2.96 3.20 -1.36 0.53 116.97 122.70 1rqi h TYR 59 Ca -0.00 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.70 1rqi h TYR 59 Cb 0.95 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 1rqi h TYR 59 CO 0.10 0.17 -0.77 0.78 -1.64 0.00 0.00 178.16 176.80 1rqi h GLY 60 N 0.39 0.29 0.96 1.82 0.00 -1.23 -3.11 103.07 102.18 1rqi h GLY 60 Ca 0.18 -0.44 -0.33 0.00 0.00 0.00 0.00 47.33 46.74 1rqi h GLY 60 CO -0.15 0.39 -1.74 0.00 0.00 0.00 0.00 176.54 175.05 1rqi h ALA 61 N 1.02 0.32 0.00 3.60 0.00 -1.14 -3.43 119.26 119.62 1rqi h ALA 61 Ca -0.03 -1.22 0.00 0.00 0.00 0.00 0.00 54.91 53.65 1rqi h ALA 61 Cb 1.35 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1rqi h ALA 61 CO 0.12 1.19 -1.20 1.28 0.00 0.00 0.00 179.25 180.64 1rqi n LEU 62 N -3.47 0.06 -4.36 0.00 4.77 0.17 -4.91 117.00 109.26 1rqi n LEU 62 Ca -0.23 -0.08 -0.46 0.00 -0.03 0.00 0.00 56.01 55.21 1rqi n LEU 62 Cb 1.06 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.11 1rqi n LEU 62 CO 0.48 0.01 0.47 -0.22 -1.33 0.00 0.00 177.39 176.80 1rqi s LEU 63 N -3.35 6.02 0.00 2.23 2.96 -1.18 -4.92 118.68 120.44 1rqi s LEU 63 Ca -0.02 -2.10 0.00 0.00 -0.22 0.00 0.00 54.13 51.79 1rqi s LEU 63 Cb 0.05 -2.27 0.00 0.00 0.50 0.00 0.00 46.19 44.48 1rqi s LEU 63 CO 0.32 -0.85 0.00 0.61 -1.32 0.00 0.00 176.35 175.11 1rqi n GLY 64 N 4.79 -0.66 0.00 7.98 0.00 -1.26 -4.91 105.19 111.13 1rqi n GLY 64 Ca 0.05 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.73 2.95 0.17 -0.02 0.00 -1.26 -4.92 105.19 101.38 1rqi n GLY 65 Ca 0.00 -1.71 0.09 0.00 0.00 0.00 0.00 46.02 44.39 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 -5.93 1.61 1.57 -2.00 -3.48 116.57 108.34 1rqi h LYS 66 Ca 0.00 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.39 1rqi h LYS 66 Cb 0.00 0.00 0.10 0.00 0.08 0.00 0.00 32.23 32.41 1rqi h LYS 66 CO 0.00 0.15 -0.80 0.54 -0.57 0.00 0.00 179.45 178.76 1rqi n ARG 67 N -3.02 -5.66 0.13 3.15 5.12 -1.26 -4.70 116.66 110.42 1rqi n ARG 67 Ca 0.01 0.71 -0.00 0.00 -1.93 0.00 0.00 57.85 56.64 1rqi n ARG 67 Cb 0.61 -5.46 0.08 0.00 -1.16 0.00 0.00 32.46 26.53 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 -1.92 0.00 0.06 0.55 3.38 -1.98 -2.44 115.31 112.96 1rqi h LEU 68 Ca -0.60 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.37 1rqi h LEU 68 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1rqi h LEU 68 CO 0.54 0.64 -0.03 0.03 0.09 0.00 0.00 178.44 179.72 1rqi h ARG 69 N 0.00 -0.08 -0.90 1.13 3.08 -1.97 -1.60 114.38 114.04 1rqi h ARG 69 Ca -0.01 0.01 0.23 0.00 0.07 0.00 0.00 59.98 60.28 1rqi h ARG 69 Cb 1.33 0.02 -0.13 0.00 0.08 0.00 0.00 29.97 31.27 1rqi h ARG 69 CO 0.08 0.47 0.35 -1.35 -1.07 0.00 0.00 179.97 178.45 1rqi h PRO 70 N -0.71 0.31 -1.00 0.04 0.11 -1.78 0.66 132.00 129.63 1rqi h PRO 70 Ca -0.01 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.19 1rqi h PRO 70 Cb 0.59 -0.07 -0.08 0.00 0.11 0.00 0.00 31.00 31.55 1rqi h PRO 70 CO 0.01 0.20 0.64 0.35 -0.21 0.00 0.00 178.00 178.99 1rqi h PHE 71 N 0.32 1.15 -0.24 0.65 3.04 -1.24 0.02 116.94 120.64 1rqi h PHE 71 Ca 0.57 0.03 -0.16 0.00 3.98 0.00 0.00 57.97 62.40 1rqi h PHE 71 Cb 1.13 -0.37 -0.01 0.00 2.56 0.00 0.00 35.95 39.27 1rqi h PHE 71 CO -0.17 0.50 -0.49 -0.07 -2.02 0.00 0.00 178.31 176.06 1rqi h LEU 72 N 1.04 0.72 0.14 0.59 3.38 0.10 -0.18 115.31 121.11 1rqi h LEU 72 Ca 0.47 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1rqi h LEU 72 Cb 0.39 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1rqi h LEU 72 CO -0.23 1.09 -0.07 0.58 0.09 0.00 0.00 178.44 179.90 1rqi h VAL 73 N 0.52 0.98 -0.58 1.22 2.07 -0.05 -1.71 116.25 118.72 1rqi h VAL 73 Ca 0.03 -0.57 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 1rqi h VAL 73 Cb 1.04 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 1rqi h VAL 73 CO 0.10 0.13 0.22 1.88 0.02 0.00 0.00 177.57 179.92 1rqi h TYR 74 N -0.47 0.89 -0.21 1.57 0.05 -1.01 -1.40 116.97 116.39 1rqi h TYR 74 Ca -0.02 -0.07 -0.14 0.00 0.05 0.00 0.00 58.73 58.55 1rqi h TYR 74 Cb 0.37 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 1rqi h TYR 74 CO 0.02 0.72 -0.44 0.00 -1.05 0.00 0.00 178.16 177.41 1rqi h ALA 75 N 1.07 0.84 0.14 3.88 0.00 -1.05 0.16 119.26 124.31 1rqi h ALA 75 Ca 0.19 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1rqi h ALA 75 Cb 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1rqi h ALA 75 CO -0.01 0.65 -0.07 1.15 0.00 0.00 0.00 179.25 180.97 1rqi h THR 76 N 0.42 1.03 -0.68 0.00 2.02 -1.21 -3.03 112.91 111.45 1rqi h THR 76 Ca 0.03 -0.95 0.05 0.00 0.77 0.00 0.00 66.41 66.31 1rqi h THR 76 Cb 0.94 1.59 -0.05 0.00 -1.74 0.00 0.00 68.15 68.89 1rqi h THR 76 CO 0.08 0.22 0.40 1.23 0.37 0.00 0.00 175.52 177.81 1rqi h GLY 77 N -0.66 0.99 1.56 2.16 0.00 -1.19 -2.21 103.07 103.71 1rqi h GLY 77 Ca -0.02 -0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.06 1rqi h GLY 77 CO 0.03 0.20 0.22 0.45 0.00 0.00 0.00 176.54 177.44 1rqi h HIS 78 N 0.75 0.28 -0.85 5.60 3.86 -0.72 -1.89 115.15 122.17 1rqi h HIS 78 Ca 0.29 0.01 0.13 0.00 -1.16 0.00 0.00 60.37 59.64 1rqi h HIS 78 Cb 0.13 -0.09 -0.06 0.00 1.06 0.00 0.00 27.41 28.44 1rqi h HIS 78 CO -0.06 0.16 0.55 0.52 0.86 0.00 0.00 177.93 179.96 1rqi h MET 79 N 0.29 0.67 -0.67 2.45 2.86 -1.27 -1.50 114.93 117.76 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 0.18 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1rqi h MET 79 CO -0.03 0.44 0.00 1.19 1.06 0.00 0.00 176.91 179.57 1rqi n PHE 80 N -4.54 0.90 -1.37 -0.22 3.01 -0.74 -4.71 117.46 109.80 1rqi n PHE 80 Ca 0.16 -0.45 -0.00 0.00 1.01 0.00 0.00 57.45 58.17 1rqi n PHE 80 Cb 0.43 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.89 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 1.60 0.38 3.83 1.37 0.00 -0.56 -5.02 105.19 106.78 1rqi n GLY 81 Ca 0.23 -1.02 -0.36 0.00 0.00 0.00 0.00 46.02 44.87 1rqi n GLY 81 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rqi s VAL 82 N -2.01 4.73 0.27 1.61 -7.23 -1.06 -5.00 120.40 111.72 1rqi s VAL 82 Ca 0.00 1.08 -0.30 0.00 -1.81 0.00 0.00 61.98 60.95 1rqi s VAL 82 Cb 0.00 -3.82 -0.11 0.00 0.56 0.00 0.00 36.38 33.01 1rqi s VAL 82 CO 0.00 0.32 1.52 -0.55 -0.31 0.00 0.00 175.10 176.08 1rqi s SER 83 N -1.53 6.52 0.31 4.85 0.15 -1.26 -4.33 113.70 118.41 1rqi s SER 83 Ca 0.37 2.80 0.07 0.00 0.70 0.00 0.00 55.95 59.89 1rqi s SER 83 Cb -0.17 -2.63 0.80 0.00 -1.71 0.00 0.00 66.02 62.31 1rqi s SER 83 CO 0.20 -0.81 1.74 0.74 1.20 0.00 0.00 173.24 176.31 1rqi h THR 84 N 3.49 0.58 -0.48 6.45 2.02 -1.96 -2.15 112.91 120.86 1rqi h THR 84 Ca -0.46 -0.20 -0.05 0.00 0.77 0.00 0.00 66.41 66.46 1rqi h THR 84 Cb 1.22 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 1rqi h THR 84 CO 0.79 0.11 0.08 -1.13 0.37 0.00 0.00 175.52 175.74 1rqi h ASN 85 N 0.59 0.70 -0.59 4.18 -1.24 -1.99 -1.27 115.58 115.96 1rqi h ASN 85 Ca 0.60 -0.13 -0.09 0.00 0.71 0.00 0.00 56.30 57.39 1rqi h ASN 85 Cb 1.08 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.92 1rqi h ASN 85 CO -0.46 0.72 0.03 0.74 -1.29 0.00 0.00 177.43 177.17 1rqi h THR 86 N 0.72 1.26 0.00 -3.57 2.02 -1.69 -3.19 112.91 108.46 1rqi h THR 86 Ca 0.15 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.24 1rqi h THR 86 Cb 0.32 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1rqi h THR 86 CO 0.00 0.40 0.00 -0.07 0.37 0.00 0.00 175.52 176.23 1rqi h LEU 87 N 0.96 0.00 -1.26 2.58 3.38 -0.80 -3.05 115.31 117.11 1rqi h LEU 87 Ca 0.18 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.34 1rqi h LEU 87 Cb 0.51 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.17 1rqi h LEU 87 CO 0.02 0.00 0.61 0.44 0.09 0.00 0.00 178.44 179.60 1rqi h ASP 88 N 0.00 0.61 0.36 -0.43 3.32 -1.25 -0.26 116.42 118.77 1rqi h ASP 88 Ca 0.00 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1rqi h ASP 88 Cb 0.69 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1rqi h ASP 88 CO 0.00 0.23 -0.18 0.00 -1.72 0.00 0.00 179.24 177.58 1rqi h ALA 89 N 1.62 -1.13 0.00 3.45 0.00 -1.73 0.30 119.26 121.77 1rqi h ALA 89 Ca 0.52 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 1rqi h ALA 89 Cb 1.02 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1rqi h ALA 89 CO -0.27 -1.09 -0.16 -1.00 0.00 0.00 0.00 179.25 176.72 1rqi h PRO 90 N -0.49 0.00 -0.11 0.00 0.13 -1.74 -1.19 132.00 128.60 1rqi h PRO 90 Ca -0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 1rqi h PRO 90 Cb 0.38 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.50 1rqi h PRO 90 CO 0.08 0.16 0.04 0.00 -0.23 0.00 0.00 178.00 178.05 1rqi h ALA 91 N 1.84 0.14 -0.15 -0.56 0.00 -0.98 -1.67 119.26 117.89 1rqi h ALA 91 Ca -0.00 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1rqi h ALA 91 Cb 0.31 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1rqi h ALA 91 CO 0.02 -0.25 -0.35 0.00 0.00 0.00 0.00 179.25 178.67 1rqi h ALA 92 N 0.86 1.14 -0.07 0.00 0.00 -0.62 -2.52 119.26 118.04 1rqi h ALA 92 Ca 0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1rqi h ALA 92 Cb 0.20 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1rqi h ALA 92 CO -0.00 0.56 -0.02 0.00 0.00 0.00 0.00 179.25 179.79 1rqi h ALA 93 N 1.38 0.10 -0.24 0.00 0.00 -1.04 -0.06 119.26 119.38 1rqi h ALA 93 Ca 0.03 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1rqi h ALA 93 Cb 0.74 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1rqi h ALA 93 CO 0.06 -0.17 -0.08 -0.39 0.00 0.00 0.00 179.25 178.66 1rqi h VAL 94 N -0.21 1.19 -0.04 0.00 -1.51 -1.24 -2.21 116.25 112.24 1rqi h VAL 94 Ca 0.02 -0.82 -0.13 0.00 -1.23 0.00 0.00 66.70 64.53 1rqi h VAL 94 Cb 0.44 1.11 -0.01 0.00 -2.13 0.00 0.00 31.29 30.69 1rqi h VAL 94 CO 0.01 0.27 -0.59 -0.08 -1.23 0.00 0.00 177.57 175.94 1rqi h GLU 95 N 0.36 0.12 -0.48 5.19 4.57 -1.24 -1.13 114.58 121.97 1rqi h GLU 95 Ca 0.08 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 1rqi h GLU 95 Cb 0.38 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 1rqi h GLU 95 CO 0.02 0.68 0.19 0.00 -1.18 0.00 0.00 179.01 178.72 1rqi h ILE 97 N 0.64 1.15 -0.13 0.00 1.08 -1.31 -1.13 117.51 117.81 1rqi h ILE 97 Ca 0.16 -0.43 0.02 0.00 -0.39 0.00 0.00 64.86 64.22 1rqi h ILE 97 Cb 0.20 1.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.94 1rqi h ILE 97 CO -0.01 0.15 0.01 -0.74 -0.69 0.00 0.00 178.15 176.86 1rqi h HIS 98 N 0.23 0.01 -0.39 1.37 2.76 -1.09 -0.74 115.15 117.29 1rqi h HIS 98 Ca 0.08 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.24 1rqi h HIS 98 Cb 0.14 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.09 1rqi h HIS 98 CO -0.02 -0.01 0.18 0.00 -1.30 0.00 0.00 177.93 176.78 1rqi h ALA 99 N 1.10 0.51 -0.73 5.26 0.00 -0.67 -1.43 119.26 123.29 1rqi h ALA 99 Ca 0.06 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1rqi h ALA 99 Cb 0.06 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 1rqi h ALA 99 CO -0.09 0.09 0.40 -0.92 0.00 0.00 0.00 179.25 178.72 1rqi h TYR 100 N 0.49 0.72 -0.64 0.00 3.20 -1.04 -2.21 116.97 117.49 1rqi h TYR 100 Ca 0.13 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 1rqi h TYR 100 Cb 0.15 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 1rqi h TYR 100 CO -0.01 0.29 0.31 0.66 -1.64 0.00 0.00 178.16 177.78 1rqi h SER 101 N 0.69 0.81 -0.21 -2.11 4.64 -0.14 -2.42 113.55 114.82 1rqi h SER 101 Ca 0.35 -0.08 -0.11 0.00 -0.47 0.00 0.00 61.79 61.48 1rqi h SER 101 Cb 0.31 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1rqi h SER 101 CO -0.24 0.69 -0.30 -0.07 -0.87 0.00 0.00 176.83 176.04 1rqi h LEU 102 N 0.90 0.62 -0.24 5.97 3.38 -0.88 -1.40 115.31 123.67 1rqi h LEU 102 Ca 0.22 -0.52 0.05 0.00 0.09 0.00 0.00 57.88 57.73 1rqi h LEU 102 Cb 0.09 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 1rqi h LEU 102 CO -0.03 1.02 -0.08 0.40 0.09 0.00 0.00 178.44 179.84 1rqi h ILE 103 N 0.24 0.72 -0.40 1.22 2.04 -1.01 -1.53 117.51 118.79 1rqi h ILE 103 Ca 0.02 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.77 1rqi h ILE 103 Cb 0.88 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 1rqi h ILE 103 CO 0.07 0.00 -0.19 0.45 0.00 0.00 0.00 178.15 178.48 1rqi h HIS 104 N -0.03 0.86 0.00 1.37 3.86 -1.50 -3.08 115.15 116.63 1rqi h HIS 104 Ca 0.12 -0.19 -0.02 0.00 -1.16 0.00 0.00 60.37 59.13 1rqi h HIS 104 Cb 0.21 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 1rqi h HIS 104 CO -0.26 0.90 -0.09 0.22 0.86 0.00 0.00 177.93 179.56 1rqi h ASP 105 N 0.68 0.00 0.43 2.45 1.82 -0.53 -2.22 116.42 119.05 1rqi h ASP 105 Ca 0.10 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.74 1rqi h ASP 105 Cb 0.69 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.70 1rqi h ASP 105 CO 0.05 0.09 -0.31 0.47 -1.61 0.00 0.00 179.24 177.93 1rqi n ASP 106 N -3.79 0.63 -4.72 2.28 10.43 -0.64 -2.17 116.55 118.57 1rqi n ASP 106 Ca -0.02 -0.46 -0.34 0.00 2.57 0.00 0.00 54.79 56.53 1rqi n ASP 106 Cb 0.18 0.09 0.09 0.00 1.84 0.00 0.00 41.12 43.33 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 -2.74 3.34 0.25 0.64 1.43 -0.83 -2.12 118.68 118.64 1rqi s LEU 107 Ca 0.19 2.38 -0.03 0.00 -1.03 0.00 0.00 54.13 55.63 1rqi s LEU 107 Cb 0.19 -4.59 0.49 0.00 0.03 0.00 0.00 46.19 42.31 1rqi s LEU 107 CO 0.59 -2.23 1.72 -0.65 0.23 0.00 0.00 176.35 176.01 1rqi h PRO 108 N -0.21 0.42 0.00 1.29 0.11 -1.92 -0.05 132.00 131.65 1rqi h PRO 108 Ca -0.48 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1rqi h PRO 108 Cb 1.30 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1rqi h PRO 108 CO 0.50 0.28 -0.10 0.00 -0.21 0.00 0.00 178.00 178.47 1rqi h ALA 109 N 1.57 1.14 -3.00 -0.75 0.00 -1.94 -3.36 119.26 112.92 1rqi h ALA 109 Ca 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1rqi h ALA 109 Cb 0.69 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1rqi h ALA 109 CO -0.43 0.12 0.00 -1.33 0.00 0.00 0.00 179.25 177.61 1rqi n MET 110 N -3.41 0.00 0.03 0.00 2.81 -0.49 -4.92 117.12 111.14 1rqi n MET 110 Ca -0.01 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 55.99 1rqi n MET 110 Cb 0.26 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 32.79 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 0.61 -3.52 7.83 10.43 -0.92 -4.97 116.55 126.00 1rqi n ASP 111 Ca 0.00 -0.20 -0.19 0.00 2.57 0.00 0.00 54.79 56.97 1rqi n ASP 111 Cb 0.00 0.81 0.06 0.00 1.84 0.00 0.00 41.12 43.84 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 -1.98 -2.53 -4.87 -2.24 4.64 -0.15 -4.98 116.55 104.43 1rqi n ASP 112 Ca 0.02 -0.73 -0.36 0.00 -1.38 0.00 0.00 54.79 52.34 1rqi n ASP 112 Cb 0.44 -4.62 -0.06 0.00 -1.04 0.00 0.00 41.12 35.84 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 -4.17 6.29 0.00 1.67 1.01 -0.90 -4.94 116.67 115.62 1rqi s ASP 113 Ca 0.09 0.40 0.14 0.00 0.71 0.00 0.00 52.55 53.89 1rqi s ASP 113 Cb -0.02 -2.00 0.14 0.00 1.01 0.00 0.00 42.92 42.06 1rqi s ASP 113 CO 0.77 0.36 0.99 -0.90 0.21 0.00 0.00 175.17 176.60 1rqi n ASP 114 N 1.69 2.28 -4.10 0.27 3.85 -1.26 -4.72 116.55 114.56 1rqi n ASP 114 Ca -0.17 -1.63 -0.25 0.00 -0.71 0.00 0.00 54.79 52.02 1rqi n ASP 114 Cb 0.54 -0.04 -0.16 0.00 -1.35 0.00 0.00 41.12 40.11 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 -1.13 1.85 -0.27 -2.12 0.20 -1.26 -2.13 118.68 113.82 1rqi s LEU 115 Ca 0.18 -0.33 -0.18 0.00 0.69 0.00 0.00 54.13 54.48 1rqi s LEU 115 Cb 0.12 -0.92 0.07 0.00 -0.43 0.00 0.00 46.19 45.04 1rqi s LEU 115 CO 0.18 0.12 0.67 -0.60 -0.29 0.00 0.00 176.35 176.43 1rqi s ARG 116 N 0.21 0.72 -1.46 1.98 3.52 0.16 -4.56 118.95 119.52 1rqi s ARG 116 Ca -0.07 1.12 -0.07 0.00 -0.13 0.00 0.00 55.73 56.58 1rqi s ARG 116 Cb -0.13 0.20 0.03 0.00 -1.56 0.00 0.00 34.95 33.50 1rqi s ARG 116 CO 0.03 -0.13 0.67 0.54 -0.81 0.00 0.00 175.30 175.59 1rqi n ARG 117 N 3.84 -4.84 -0.98 5.12 1.74 -0.68 -1.90 116.66 118.97 1rqi n ARG 117 Ca -0.18 0.75 0.00 0.00 -0.77 0.00 0.00 57.85 57.65 1rqi n ARG 117 Cb 0.58 -5.59 0.00 0.00 -1.02 0.00 0.00 32.46 26.42 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 -1.49 0.60 3.24 -0.13 0.00 -0.88 -4.83 105.19 101.70 1rqi n GLY 118 Ca -0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 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 2.50 0.26 0.99 1.43 -0.80 -5.07 118.68 117.99 1rqi s LEU 119 Ca 0.00 -0.96 -0.30 0.00 -1.03 0.00 0.00 54.13 51.84 1rqi s LEU 119 Cb 0.00 -0.36 -0.14 0.00 0.03 0.00 0.00 46.19 45.72 1rqi s LEU 119 CO 0.00 -0.30 1.25 -2.65 0.23 0.00 0.00 176.35 174.88 1rqi n PRO 120 N -0.01 1.76 -0.79 1.29 -0.02 -1.26 -0.66 135.00 135.31 1rqi n PRO 120 Ca -0.12 0.62 -0.29 0.00 -2.02 0.00 0.00 63.50 61.70 1rqi n PRO 120 Cb 0.60 -2.17 0.23 0.00 -0.02 0.00 0.00 33.50 32.14 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 -0.54 1.92 0.14 3.45 -4.23 -0.90 -4.68 115.64 110.81 1rqi s THR 121 Ca 0.64 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 61.00 1rqi s THR 121 Cb -0.67 -2.25 0.02 0.00 1.34 0.00 0.00 72.50 70.94 1rqi s THR 121 CO 0.55 0.00 1.68 0.00 -0.54 0.00 0.00 174.62 176.31 1rqi h HIS 123 N 0.61 0.00 -0.03 0.00 2.07 -1.88 -1.18 115.15 114.74 1rqi h HIS 123 Ca 0.15 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.60 1rqi h HIS 123 Cb 0.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.22 1rqi h HIS 123 CO 0.01 0.24 -0.26 0.28 -3.07 0.00 0.00 177.93 175.13 1rqi h VAL 124 N 0.00 1.49 -0.05 6.12 2.07 -1.73 -1.73 116.25 122.42 1rqi h VAL 124 Ca -0.00 -1.81 -0.21 0.00 0.82 0.00 0.00 66.70 65.50 1rqi h VAL 124 Cb 0.66 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 1rqi h VAL 124 CO 0.03 0.50 -0.85 0.50 0.02 0.00 0.00 177.57 177.78 1rqi h LYS 125 N -0.37 0.48 -0.06 1.57 3.11 -1.22 -3.36 116.57 116.72 1rqi h LYS 125 Ca -0.02 -0.45 0.00 0.00 -2.81 0.00 0.00 60.65 57.37 1rqi h LYS 125 Cb 0.96 0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.30 1rqi h LYS 125 CO 0.05 1.09 0.00 1.19 -2.81 0.00 0.00 179.45 178.97 1rqi n PHE 126 N -3.81 0.07 0.00 1.91 3.72 -0.46 -5.12 117.46 113.77 1rqi n PHE 126 Ca -0.06 -0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 1rqi n PHE 126 Cb 0.78 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.31 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 0.29 -2.15 0.25 1.37 0.00 -0.65 -4.33 105.19 99.96 1rqi n GLY 127 Ca 0.04 -1.49 -0.12 0.00 0.00 0.00 0.00 46.02 44.46 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 0.88 -0.45 1.61 5.08 -1.90 -2.78 114.58 117.03 1rqi h GLU 128 Ca 0.00 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 1rqi h GLU 128 Cb 0.00 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1rqi h GLU 128 CO 0.00 1.03 0.26 0.00 -1.00 0.00 0.00 179.01 179.29 1rqi h ALA 129 N 0.83 0.57 -0.47 3.43 0.00 -1.93 -1.02 119.26 120.67 1rqi h ALA 129 Ca 0.10 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1rqi h ALA 129 Cb 0.76 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1rqi h ALA 129 CO 0.06 0.08 -0.15 -0.91 0.00 0.00 0.00 179.25 178.32 1rqi h ASN 130 N 0.59 0.92 0.15 0.00 2.35 -1.75 -1.88 115.58 115.96 1rqi h ASN 130 Ca 0.16 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.59 1rqi h ASN 130 Cb 0.02 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.14 1rqi h ASN 130 CO -0.03 1.06 -0.07 0.00 -1.65 0.00 0.00 177.43 176.74 1rqi h ALA 131 N 1.01 -0.21 -0.28 -0.83 0.00 -1.24 0.27 119.26 117.98 1rqi h ALA 131 Ca 0.12 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1rqi h ALA 131 Cb 0.69 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 1rqi h ALA 131 CO 0.05 -0.56 -0.32 0.82 0.00 0.00 0.00 179.25 179.25 1rqi h ILE 132 N -0.33 0.27 -0.47 0.00 2.04 -1.14 -0.74 117.51 117.13 1rqi h ILE 132 Ca -0.02 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.74 1rqi h ILE 132 Cb 0.26 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 1rqi h ILE 132 CO 0.03 0.00 -0.10 -0.07 0.00 0.00 0.00 178.15 178.02 1rqi h LEU 133 N -0.31 0.84 -1.29 1.44 3.38 -1.26 -2.01 115.31 116.11 1rqi h LEU 133 Ca 0.14 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1rqi h LEU 133 Cb 0.53 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1rqi h LEU 133 CO -0.45 0.96 -0.22 0.00 0.09 0.00 0.00 178.44 178.82 1rqi h ALA 134 N 1.12 1.41 -0.09 1.53 0.00 -0.06 -0.11 119.26 123.06 1rqi h ALA 134 Ca 0.13 -0.26 -0.22 0.00 0.00 0.00 0.00 54.91 54.56 1rqi h ALA 134 Cb 0.60 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1rqi h ALA 134 CO 0.04 0.41 -0.82 0.78 0.00 0.00 0.00 179.25 179.66 1rqi h GLY 135 N 0.88 0.68 0.89 0.00 0.00 -0.83 -1.33 103.07 103.36 1rqi h GLY 135 Ca 0.03 -1.02 -0.01 0.00 0.00 0.00 0.00 47.33 46.33 1rqi h GLY 135 CO 0.03 0.91 0.08 -0.55 0.00 0.00 0.00 176.54 177.01 1rqi h ASP 136 N 0.40 0.27 -0.30 0.19 3.32 -0.93 -2.13 116.42 117.25 1rqi h ASP 136 Ca -0.06 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.76 1rqi h ASP 136 Cb 1.44 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.90 1rqi h ASP 136 CO 0.16 0.37 -0.00 0.00 -1.72 0.00 0.00 179.24 178.04 1rqi h ALA 137 N 0.92 1.24 -0.43 3.45 0.00 -0.97 -2.22 119.26 121.23 1rqi h ALA 137 Ca 0.06 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 1rqi h ALA 137 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1rqi h ALA 137 CO -0.00 0.51 -0.21 -0.07 0.00 0.00 0.00 179.25 179.48 1rqi h LEU 138 N 0.62 0.93 0.06 0.00 3.38 -1.12 0.21 115.31 119.39 1rqi h LEU 138 Ca 0.13 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.72 1rqi h LEU 138 Cb 0.39 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1rqi h LEU 138 CO 0.01 1.13 -0.34 -0.61 0.09 0.00 0.00 178.44 178.73 1rqi h GLN 139 N 0.73 -0.50 -0.98 1.13 4.15 -1.02 -2.04 115.11 116.58 1rqi h GLN 139 Ca 0.10 0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.58 1rqi h GLN 139 Cb 0.78 0.11 -0.06 0.00 0.21 0.00 0.00 27.48 28.52 1rqi h GLN 139 CO 0.06 -0.34 0.65 1.15 -1.93 0.00 0.00 178.83 178.42 1rqi h THR 140 N -0.52 1.19 -0.73 2.39 2.02 -1.17 -1.41 112.91 114.67 1rqi h THR 140 Ca 0.05 -0.43 0.04 0.00 0.77 0.00 0.00 66.41 66.83 1rqi h THR 140 Cb 0.58 -0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 66.76 1rqi h THR 140 CO -0.24 0.23 0.48 0.25 0.37 0.00 0.00 175.52 176.62 1rqi h LEU 141 N 1.27 0.74 -0.96 2.58 5.85 -0.61 -1.49 115.31 122.69 1rqi h LEU 141 Ca 0.38 -0.00 0.14 0.00 0.84 0.00 0.00 57.88 59.24 1rqi h LEU 141 Cb -0.04 -0.17 -0.09 0.00 0.37 0.00 0.00 40.66 40.74 1rqi h LEU 141 CO -0.11 0.50 0.57 0.00 -0.34 0.00 0.00 178.44 179.06 1rqi h ALA 142 N 1.58 1.48 0.00 1.25 0.00 -0.53 -0.72 119.26 122.32 1rqi h ALA 142 Ca 0.30 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 55.08 1rqi h ALA 142 Cb 0.12 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1rqi h ALA 142 CO -0.09 0.08 -0.98 0.74 0.00 0.00 0.00 179.25 179.00 1rqi h PHE 143 N 0.84 0.00 -0.35 0.00 -1.00 -1.32 -2.37 116.94 112.74 1rqi h PHE 143 Ca 0.50 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.27 1rqi h PHE 143 Cb 0.62 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.16 1rqi h PHE 143 CO -0.03 0.81 0.15 0.77 -1.61 0.00 0.00 178.31 178.40 1rqi h SER 144 N 0.00 0.47 -0.16 2.17 0.02 -0.83 -2.04 113.55 113.17 1rqi h SER 144 Ca -0.06 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1rqi h SER 144 Cb 1.67 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 64.08 1rqi h SER 144 CO 0.10 0.49 0.09 0.40 -1.14 0.00 0.00 176.83 176.77 1rqi h ILE 145 N 0.42 1.09 0.00 3.27 2.04 -1.16 0.33 117.51 123.50 1rqi h ILE 145 Ca 0.12 -0.23 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 1rqi h ILE 145 Cb 0.16 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1rqi h ILE 145 CO -0.01 0.08 -0.38 -0.07 0.00 0.00 0.00 178.15 177.77 1rqi h LEU 146 N 0.17 0.00 0.00 1.44 3.38 -1.42 -1.67 115.31 117.21 1rqi h LEU 146 Ca 0.06 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.77 1rqi h LEU 146 Cb 0.05 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1rqi h LEU 146 CO -0.01 0.38 -1.64 -1.54 0.09 0.00 0.00 178.44 175.72 1rqi n SER 147 N -4.06 0.86 -0.00 -0.43 3.41 -0.77 -4.53 113.62 108.09 1rqi n SER 147 Ca -0.02 0.40 0.07 0.00 -0.26 0.00 0.00 58.87 59.06 1rqi n SER 147 Cb 0.42 0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.28 1rqi n SER 147 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1rqi n ASP 148 N -3.00 1.40 -4.84 4.04 10.43 0.11 -5.04 116.55 119.65 1rqi n ASP 148 Ca -0.15 -0.29 -0.32 0.00 2.57 0.00 0.00 54.79 56.60 1rqi n ASP 148 Cb 0.99 1.42 -0.03 0.00 1.84 0.00 0.00 41.12 45.34 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 -2.73 3.06 -0.11 2.24 0.00 -0.63 -4.99 121.76 118.60 1rqi s ALA 149 Ca -0.02 0.18 -0.29 0.00 0.00 0.00 0.00 51.96 51.83 1rqi s ALA 149 Cb 0.09 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 1rqi s ALA 149 CO 0.57 -0.27 1.47 0.34 0.00 0.00 0.00 175.76 177.88 1rqi s ASP 150 N -3.08 6.79 -0.43 0.00 2.15 -1.26 -4.94 116.67 115.91 1rqi s ASP 150 Ca 0.59 1.99 0.06 0.00 0.43 0.00 0.00 52.55 55.61 1rqi s ASP 150 Cb -0.10 -2.54 0.20 0.00 -0.30 0.00 0.00 42.92 40.19 1rqi s ASP 150 CO 0.32 -0.85 0.43 0.23 -0.17 0.00 0.00 175.17 175.13 1rqi n MET 151 N 6.89 0.56 -0.19 4.34 2.81 -1.26 -4.71 117.12 125.56 1rqi n MET 151 Ca 0.16 -3.32 0.05 0.00 -1.81 0.00 0.00 57.70 52.77 1rqi n MET 151 Cb 0.44 -1.56 0.10 0.00 -0.71 0.00 0.00 33.22 31.49 1rqi n MET 151 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 1rqi n PRO 152 N 2.19 -0.05 -0.50 0.03 -0.02 -1.26 -1.61 135.00 133.78 1rqi n PRO 152 Ca 0.26 0.81 0.08 0.00 -2.02 0.00 0.00 63.50 62.63 1rqi n PRO 152 Cb 0.49 -1.24 0.28 0.00 -0.02 0.00 0.00 33.50 33.01 1rqi n PRO 152 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1rqi n GLU 153 N -4.78 3.40 -3.77 -0.52 0.00 -1.26 -4.92 120.64 108.79 1rqi n GLU 153 Ca 0.10 -2.75 -0.36 0.00 0.00 0.00 0.00 57.16 54.14 1rqi n GLU 153 Cb 0.31 -1.81 -0.13 0.00 0.00 0.00 0.00 31.44 29.82 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 -2.25 4.12 0.89 3.84 1.01 -0.64 -4.92 120.40 122.46 1rqi s VAL 154 Ca 0.42 -0.32 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 1rqi s VAL 154 Cb 0.31 -2.97 0.13 0.00 0.00 0.00 0.00 36.38 33.85 1rqi s VAL 154 CO 0.15 0.29 1.10 -0.94 0.00 0.00 0.00 175.10 175.71 1rqi s SER 155 N 1.58 3.30 0.17 3.32 1.04 -1.26 -4.77 113.70 117.08 1rqi s SER 155 Ca 0.06 1.86 -0.13 0.00 0.48 0.00 0.00 55.95 58.21 1rqi s SER 155 Cb -0.15 -2.44 0.08 0.00 0.10 0.00 0.00 66.02 63.60 1rqi s SER 155 CO 0.02 -2.81 1.78 0.44 0.98 0.00 0.00 173.24 173.66 1rqi h ASP 156 N -1.66 0.73 -0.59 7.02 3.45 -1.98 0.72 116.42 124.10 1rqi h ASP 156 Ca -0.47 -0.10 0.03 0.00 0.43 0.00 0.00 57.03 56.92 1rqi h ASP 156 Cb 1.27 -0.19 -0.04 0.00 -0.56 0.00 0.00 39.33 39.81 1rqi h ASP 156 CO 0.48 0.62 0.36 -0.09 -1.57 0.00 0.00 179.24 179.03 1rqi h ARG 157 N 0.78 0.68 -0.67 3.56 9.65 -1.99 -0.31 114.38 126.08 1rqi h ARG 157 Ca 0.20 -0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 58.97 1rqi h ARG 157 Cb 0.06 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.46 1rqi h ARG 157 CO -0.03 0.45 0.14 -0.44 2.80 0.00 0.00 179.97 182.89 1rqi h ASP 158 N 0.70 1.03 -0.57 -3.80 3.32 -1.80 -1.75 116.42 113.54 1rqi h ASP 158 Ca 0.24 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1rqi h ASP 158 Cb 0.03 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 1rqi h ASP 158 CO -0.11 1.01 0.36 -0.09 -1.72 0.00 0.00 179.24 178.70 1rqi h ARG 159 N 1.00 0.76 -0.58 3.56 2.43 -0.50 -1.73 114.38 119.32 1rqi h ARG 159 Ca 0.21 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1rqi h ARG 159 Cb 0.40 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1rqi h ARG 159 CO 0.01 0.52 0.29 0.82 -1.51 0.00 0.00 179.97 180.09 1rqi h ILE 160 N 0.77 1.19 -0.20 1.20 2.04 -0.80 -1.87 117.51 119.84 1rqi h ILE 160 Ca 0.21 -0.52 -0.11 0.00 1.00 0.00 0.00 64.86 65.44 1rqi h ILE 160 Cb -0.06 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1rqi h ILE 160 CO -0.04 0.22 -0.34 0.28 0.00 0.00 0.00 178.15 178.27 1rqi h SER 161 N 0.82 0.42 -0.04 1.72 0.02 -0.64 0.49 113.55 116.34 1rqi h SER 161 Ca 0.20 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1rqi h SER 161 Cb 0.07 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 1rqi h SER 161 CO -0.03 0.74 -0.01 0.24 -1.14 0.00 0.00 176.83 176.63 1rqi h MET 162 N 0.35 0.08 -0.86 3.45 2.86 -0.75 -1.59 114.93 118.47 1rqi h MET 162 Ca 0.04 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1rqi h MET 162 Cb 0.76 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.37 1rqi h MET 162 CO 0.06 0.40 0.56 0.82 1.06 0.00 0.00 176.91 179.81 1rqi h ILE 163 N -0.24 1.15 -0.49 -1.22 2.04 -1.16 0.02 117.51 117.61 1rqi h ILE 163 Ca 0.01 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.43 1rqi h ILE 163 Cb 0.37 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 1rqi h ILE 163 CO 0.00 0.20 0.06 -1.28 0.00 0.00 0.00 178.15 177.14 1rqi h SER 164 N 1.10 0.79 -0.28 1.72 0.87 -0.85 -1.35 113.55 115.55 1rqi h SER 164 Ca 0.34 -0.27 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 1rqi h SER 164 Cb -0.02 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 1rqi h SER 164 CO -0.11 0.86 -0.07 -0.08 -0.53 0.00 0.00 176.83 176.91 1rqi h GLU 165 N 0.69 0.54 -0.59 2.24 4.57 -0.85 -1.43 114.58 119.75 1rqi h GLU 165 Ca 0.15 -0.21 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1rqi h GLU 165 Cb 0.42 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.95 1rqi h GLU 165 CO 0.01 0.74 0.28 1.25 -1.18 0.00 0.00 179.01 180.12 1rqi h LEU 166 N 0.30 0.77 -0.36 1.64 5.85 -0.93 0.05 115.31 122.63 1rqi h LEU 166 Ca 0.07 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1rqi h LEU 166 Cb 0.55 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1rqi h LEU 166 CO 0.03 0.69 0.20 0.00 -0.34 0.00 0.00 178.44 179.01 1rqi h ALA 167 N 1.11 0.46 -0.34 1.25 0.00 -1.21 -1.40 119.26 119.15 1rqi h ALA 167 Ca 0.20 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1rqi h ALA 167 Cb 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1rqi h ALA 167 CO -0.02 -0.01 -0.29 0.66 0.00 0.00 0.00 179.25 179.59 1rqi h SER 168 N 0.46 0.73 0.92 0.00 4.64 -0.98 -1.76 113.55 117.57 1rqi h SER 168 Ca 0.13 -0.29 -0.04 0.00 -0.47 0.00 0.00 61.79 61.12 1rqi h SER 168 Cb 0.06 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 1rqi h SER 168 CO -0.02 0.98 -0.17 0.00 -0.87 0.00 0.00 176.83 176.75 1rqi h ALA 169 N 1.07 1.03 0.00 5.18 0.00 -0.86 -3.02 119.26 122.66 1rqi h ALA 169 Ca 0.07 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 1rqi h ALA 169 Cb 0.80 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1rqi h ALA 169 CO 0.07 0.22 -1.98 0.43 0.00 0.00 0.00 179.25 177.98 1rqi n SER 170 N -3.34 0.19 -1.22 0.00 7.64 -0.54 -0.52 113.62 115.83 1rqi n SER 170 Ca 0.00 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1rqi n SER 170 Cb 0.40 1.25 0.00 0.00 -1.01 0.00 0.00 64.21 64.84 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 1.45 1.32 0.27 0.23 0.00 -0.69 -1.89 105.19 105.88 1rqi n GLY 171 Ca -0.15 -1.77 0.13 0.00 0.00 0.00 0.00 46.02 44.23 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 0.49 -0.00 -0.61 6.09 -1.86 0.35 117.51 121.97 1rqi h ILE 172 Ca 0.00 -0.54 0.00 0.00 -1.37 0.00 0.00 64.86 62.95 1rqi h ILE 172 Cb 0.00 1.37 0.00 0.00 0.47 0.00 0.00 36.82 38.66 1rqi h ILE 172 CO 0.00 0.11 -0.11 0.00 -3.07 0.00 0.00 178.15 175.08 1rqi n ALA 173 N -2.25 2.75 -2.08 0.18 0.00 -1.26 -3.24 120.51 114.60 1rqi n ALA 173 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1rqi n ALA 173 Cb 0.25 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 1.29 3.21 0.08 0.00 0.00 0.05 -4.88 105.19 104.93 1rqi n GLY 174 Ca 0.14 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 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 0.13 -0.20 1.61 1.85 -0.55 -1.06 114.93 116.71 1rqi h MET 175 Ca 0.00 -0.01 -0.07 0.00 -0.61 0.00 0.00 59.70 59.01 1rqi h MET 175 Cb 0.00 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 31.99 1rqi h MET 175 CO 0.00 0.13 -0.18 0.00 -0.40 0.00 0.00 176.91 176.46 1rqi h GLY 177 N 0.90 0.38 1.26 0.00 0.00 -1.21 -2.13 103.07 102.27 1rqi h GLY 177 Ca 0.06 -0.42 -0.20 0.00 0.00 0.00 0.00 47.33 46.76 1rqi h GLY 177 CO 0.03 0.38 -0.70 -1.33 0.00 0.00 0.00 176.54 174.92 1rqi h GLY 178 N 1.26 0.81 1.55 4.60 0.00 -0.90 -1.83 103.07 108.56 1rqi h GLY 178 Ca 0.01 -1.08 -0.02 0.00 0.00 0.00 0.00 47.33 46.25 1rqi h GLY 178 CO 0.08 0.96 0.19 1.46 0.00 0.00 0.00 176.54 179.24 1rqi h GLN 179 N 0.53 0.59 -0.00 4.80 1.08 -1.12 0.11 115.11 121.09 1rqi h GLN 179 Ca -0.03 -0.07 -0.20 0.00 -1.45 0.00 0.00 58.65 56.90 1rqi h GLN 179 Cb 1.30 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.61 1rqi h GLN 179 CO 0.14 0.47 -0.88 0.00 -0.95 0.00 0.00 178.83 177.61 1rqi h ALA 180 N 1.62 0.49 -0.36 3.87 0.00 -1.26 -1.50 119.26 122.12 1rqi h ALA 180 Ca 0.15 -0.71 -0.11 0.00 0.00 0.00 0.00 54.91 54.24 1rqi h ALA 180 Cb 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1rqi h ALA 180 CO -0.02 0.87 -0.23 -0.07 0.00 0.00 0.00 179.25 179.80 1rqi h LEU 181 N 0.15 0.73 -0.60 0.00 3.38 -0.63 -2.55 115.31 115.80 1rqi h LEU 181 Ca -0.05 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 1rqi h LEU 181 Cb 1.50 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 1rqi h LEU 181 CO 0.14 0.94 0.25 -0.78 0.09 0.00 0.00 178.44 179.09 1rqi h ASP 182 N 0.63 0.81 -0.57 -0.43 3.58 -0.63 -1.34 116.42 118.48 1rqi h ASP 182 Ca 0.09 -0.16 -0.10 0.00 0.42 0.00 0.00 57.03 57.28 1rqi h ASP 182 Cb 0.73 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.55 1rqi h ASP 182 CO 0.06 0.75 -0.02 0.25 -2.88 0.00 0.00 179.24 177.39 1rqi h LEU 183 N 0.83 1.00 -0.56 2.28 7.12 -1.22 -2.67 115.31 122.09 1rqi h LEU 183 Ca 0.20 -0.32 -0.07 0.00 0.13 0.00 0.00 57.88 57.82 1rqi h LEU 183 Cb 0.18 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 40.03 1rqi h LEU 183 CO -0.02 1.07 -0.34 -0.78 -0.13 0.00 0.00 178.44 178.24 1rqi h ASP 184 N 0.90 0.00 0.15 1.25 -0.00 -1.35 -3.14 116.42 114.23 1rqi h ASP 184 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.19 1rqi h ASP 184 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.90 1rqi h ASP 184 CO 0.03 0.34 -0.16 0.00 -0.00 0.00 0.00 179.24 179.46 1rqi n ALA 185 N -2.23 2.89 -1.68 -0.78 0.00 -0.52 -4.78 120.51 113.42 1rqi n ALA 185 Ca 0.01 -0.42 -0.44 0.00 0.00 0.00 0.00 53.44 52.59 1rqi n ALA 185 Cb 0.57 -1.15 -0.04 0.00 0.00 0.00 0.00 19.45 18.84 1rqi n ALA 185 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rqi n GLU 186 N -0.36 2.58 -0.47 0.00 1.02 -1.02 -2.55 120.64 119.84 1rqi n GLU 186 Ca 0.15 0.94 0.00 0.00 -0.02 0.00 0.00 57.16 58.23 1rqi n GLU 186 Cb 0.35 -2.83 0.00 0.00 -0.02 0.00 0.00 31.44 28.93 1rqi n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rqi n GLY 187 N 4.33 1.63 0.02 0.62 0.00 -0.27 -4.87 105.19 106.64 1rqi n GLY 187 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.00 0.63 -3.59 1.61 5.02 -1.06 -5.02 118.16 113.75 1rqi n LYS 188 Ca 0.00 -0.17 -0.25 0.00 -2.02 0.00 0.00 58.31 55.87 1rqi n LYS 188 Cb 0.00 -1.54 0.03 0.00 -0.02 0.00 0.00 35.03 33.50 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 -2.25 -2.13 -1.73 2.13 8.25 -1.25 -4.89 115.22 113.36 1rqi n HIS 189 Ca -0.03 0.65 -0.34 0.00 -0.26 0.00 0.00 57.72 57.73 1rqi n HIS 189 Cb 0.56 -3.42 0.06 0.00 1.12 0.00 0.00 29.99 28.31 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 -3.28 2.78 1.17 1.59 -7.23 -1.26 -5.02 120.40 109.14 1rqi s VAL 190 Ca 0.30 0.40 -0.19 0.00 -1.81 0.00 0.00 61.98 60.68 1rqi s VAL 190 Cb -0.11 -2.98 0.28 0.00 0.56 0.00 0.00 36.38 34.13 1rqi s VAL 190 CO 0.85 -0.19 1.13 -2.84 -0.31 0.00 0.00 175.10 173.75 1rqi s PRO 191 N -3.82 -0.99 0.10 4.82 0.02 -1.26 -4.70 135.00 129.16 1rqi s PRO 191 Ca 0.72 -0.10 -0.24 0.00 0.02 0.00 0.00 61.00 61.40 1rqi s PRO 191 Cb -0.26 -1.63 -0.13 0.00 0.02 0.00 0.00 34.50 32.51 1rqi s PRO 191 CO 0.40 -3.55 1.71 1.25 -0.33 0.00 0.00 177.00 176.47 1rqi h LEU 192 N -2.47 -0.22 -0.66 -5.54 6.46 -1.98 -1.08 115.31 109.82 1rqi h LEU 192 Ca -0.45 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.40 1rqi h LEU 192 Cb 1.29 0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 41.24 1rqi h LEU 192 CO 0.35 -0.13 0.35 -2.24 -0.62 0.00 0.00 178.44 176.15 1rqi h ASP 193 N -0.19 0.50 -0.47 1.25 -0.00 -1.99 0.30 116.42 115.82 1rqi h ASP 193 Ca 0.01 0.04 -0.12 0.00 -0.00 0.00 0.00 57.03 56.96 1rqi h ASP 193 Cb 0.18 -0.05 -0.02 0.00 -0.00 0.00 0.00 39.33 39.45 1rqi h ASP 193 CO -0.03 0.31 -0.17 0.00 -0.00 0.00 0.00 179.24 179.35 1rqi h ALA 194 N 1.37 0.76 -0.49 4.15 0.00 -1.86 -1.61 119.26 121.57 1rqi h ALA 194 Ca 0.31 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1rqi h ALA 194 Cb 0.24 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1rqi h ALA 194 CO -0.21 0.67 0.19 1.25 0.00 0.00 0.00 179.25 181.15 1rqi h LEU 195 N 0.85 0.68 -0.79 0.00 5.85 -0.20 -1.18 115.31 120.52 1rqi h LEU 195 Ca 0.12 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.74 1rqi h LEU 195 Cb 0.74 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 1rqi h LEU 195 CO 0.06 0.67 0.46 -0.08 -0.34 0.00 0.00 178.44 179.21 1rqi h GLU 196 N 0.65 0.79 -0.72 1.25 4.81 -0.33 -2.29 114.58 118.73 1rqi h GLU 196 Ca 0.16 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1rqi h GLU 196 Cb 0.21 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1rqi h GLU 196 CO -0.01 0.52 0.37 -0.09 -0.73 0.00 0.00 179.01 179.07 1rqi h ARG 197 N 0.81 1.02 0.09 1.92 2.43 -0.56 -1.30 114.38 118.80 1rqi h ARG 197 Ca 0.37 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1rqi h ARG 197 Cb 0.27 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1rqi h ARG 197 CO -0.21 0.78 -0.09 0.82 -1.51 0.00 0.00 179.97 179.76 1rqi h ILE 198 N 1.00 0.80 -0.38 1.20 2.04 -0.71 -2.89 117.51 118.58 1rqi h ILE 198 Ca 0.25 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.95 1rqi h ILE 198 Cb 0.07 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1rqi h ILE 198 CO -0.04 0.00 -0.40 0.45 0.00 0.00 0.00 178.15 178.17 1rqi h HIS 199 N -0.20 1.11 -0.67 1.37 3.86 -1.23 0.11 115.15 119.51 1rqi h HIS 199 Ca 0.00 -0.34 -0.01 0.00 -1.16 0.00 0.00 60.37 58.87 1rqi h HIS 199 Cb 0.19 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.39 1rqi h HIS 199 CO -0.11 1.17 0.38 0.00 0.86 0.00 0.00 177.93 180.23 1rqi h ARG 200 N 0.75 0.91 0.00 2.45 3.08 -1.25 -0.18 114.38 120.14 1rqi h ARG 200 Ca 0.06 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1rqi h ARG 200 Cb 0.99 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 1rqi h ARG 200 CO 0.10 0.66 -0.02 0.45 -1.07 0.00 0.00 179.97 180.08 1rqi h HIS 201 N 0.92 0.00 0.00 3.04 3.86 -1.35 0.22 115.15 121.84 1rqi h HIS 201 Ca 0.24 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.39 1rqi h HIS 201 Cb -0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1rqi h HIS 201 CO 0.00 0.79 -0.27 1.57 0.86 0.00 0.00 177.93 180.88 1rqi h LYS 202 N -1.00 0.00 0.00 2.45 2.10 -0.75 -2.91 116.57 116.46 1rqi h LYS 202 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1rqi h LYS 202 Cb 0.79 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.12 1rqi h LYS 202 CO -0.00 0.27 -0.75 2.41 -2.00 0.00 0.00 179.45 179.38 1rqi n THR 203 N -3.31 0.00 -0.35 0.07 -1.04 -0.24 -4.77 114.28 104.64 1rqi n THR 203 Ca 0.01 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.99 1rqi n THR 203 Cb 0.52 -0.89 0.10 0.00 -1.82 0.00 0.00 70.33 68.24 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 1.37 1.04 3.41 0.00 -0.17 -3.07 103.07 105.66 1rqi h GLY 204 Ca 0.00 -0.58 -0.07 0.00 0.00 0.00 0.00 47.33 46.68 1rqi h GLY 204 CO 0.00 0.56 0.13 0.00 0.00 0.00 0.00 176.54 177.23 1rqi h ALA 205 N 1.31 0.84 0.00 3.60 0.00 -0.69 -1.22 119.26 123.11 1rqi h ALA 205 Ca 0.34 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1rqi h ALA 205 Cb -0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1rqi h ALA 205 CO -0.06 0.57 -0.72 1.25 0.00 0.00 0.00 179.25 180.29 1rqi h LEU 206 N 0.95 0.00 -0.39 0.00 5.85 -1.72 -0.54 115.31 119.46 1rqi h LEU 206 Ca 0.20 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.74 1rqi h LEU 206 Cb 0.39 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1rqi h LEU 206 CO 0.01 0.72 -0.61 0.40 -0.34 0.00 0.00 178.44 178.62 1rqi h ILE 207 N 0.00 1.31 0.00 4.05 2.04 -1.38 -1.58 117.51 121.95 1rqi h ILE 207 Ca -0.01 -1.86 -0.08 0.00 1.00 0.00 0.00 64.86 63.91 1rqi h ILE 207 Cb 1.30 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 39.19 1rqi h ILE 207 CO 0.09 0.58 -0.40 -0.09 0.00 0.00 0.00 178.15 178.34 1rqi h ARG 208 N 0.49 0.00 -0.36 2.37 2.43 -0.99 -2.77 114.38 115.56 1rqi h ARG 208 Ca -0.01 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 1rqi h ARG 208 Cb 1.19 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1rqi h ARG 208 CO 0.12 0.40 -0.24 0.00 -1.51 0.00 0.00 179.97 178.75 1rqi h ALA 209 N 1.60 0.92 0.53 2.80 0.00 -0.71 -1.00 119.26 123.39 1rqi h ALA 209 Ca -0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1rqi h ALA 209 Cb 0.72 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1rqi h ALA 209 CO 0.05 0.62 -0.35 0.00 0.00 0.00 0.00 179.25 179.57 1rqi h ALA 210 N 1.12 -0.85 -0.48 0.00 0.00 -1.03 0.24 119.26 118.26 1rqi h ALA 210 Ca 0.09 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1rqi h ALA 210 Cb 0.73 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1rqi h ALA 210 CO 0.06 -1.00 0.18 0.28 0.00 0.00 0.00 179.25 178.77 1rqi h VAL 211 N -0.84 0.85 -0.65 0.00 2.07 -1.51 -1.98 116.25 114.20 1rqi h VAL 211 Ca -0.06 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 1rqi h VAL 211 Cb 0.69 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1rqi h VAL 211 CO 0.05 0.07 0.16 0.03 0.02 0.00 0.00 177.57 177.89 1rqi h ARG 212 N 0.36 1.03 -0.75 1.57 3.08 -0.89 -1.84 114.38 116.93 1rqi h ARG 212 Ca 0.23 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1rqi h ARG 212 Cb 0.22 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1rqi h ARG 212 CO -0.22 0.91 0.31 -0.07 -1.07 0.00 0.00 179.97 179.82 1rqi h LEU 213 N 0.98 1.03 -0.13 3.04 4.07 -0.11 0.16 115.31 124.35 1rqi h LEU 213 Ca 0.21 -0.17 0.03 0.00 0.08 0.00 0.00 57.88 58.03 1rqi h LEU 213 Cb 0.35 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.79 1rqi h LEU 213 CO 0.00 0.92 -0.06 1.23 -1.08 0.00 0.00 178.44 179.44 1rqi h GLY 214 N 1.08 0.05 1.65 0.83 0.00 -1.00 -2.69 103.07 102.99 1rqi h GLY 214 Ca 0.25 0.08 -0.13 0.00 0.00 0.00 0.00 47.33 47.53 1rqi h GLY 214 CO -0.02 -0.08 -0.48 0.00 0.00 0.00 0.00 176.54 175.96 1rqi h ALA 215 N 1.06 0.90 0.00 3.60 0.00 -1.04 -2.97 119.26 120.81 1rqi h ALA 215 Ca 0.07 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1rqi h ALA 215 Cb 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1rqi h ALA 215 CO -0.16 0.66 0.00 -0.07 0.00 0.00 0.00 179.25 179.67 1rqi h LEU 216 N 0.30 0.00 0.00 0.00 3.38 -0.57 -1.63 115.31 116.80 1rqi h LEU 216 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1rqi h LEU 216 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1rqi h LEU 216 CO 0.08 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.07 1rqi n SER 217 N -2.78 0.00 -0.88 -0.43 3.41 -1.03 -4.04 113.62 107.88 1rqi n SER 217 Ca 0.01 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1rqi n SER 217 Cb 0.27 -0.46 0.18 0.00 -0.26 0.00 0.00 64.21 63.93 1rqi n SER 217 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rqi n ALA 218 N -1.46 3.94 -0.49 7.33 0.00 -0.61 -4.77 120.51 124.43 1rqi n ALA 218 Ca 0.05 -3.39 0.00 0.00 0.00 0.00 0.00 53.44 50.10 1rqi n ALA 218 Cb 0.21 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.30 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 -1.05 2.24 0.16 0.00 0.00 -1.26 -2.10 105.19 103.19 1rqi n GLY 219 Ca 0.24 -0.28 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 4.25 0.36 -0.44 1.61 3.32 -1.96 -2.21 116.42 121.35 1rqi h ASP 220 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 1rqi h ASP 220 Cb 0.00 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1rqi h ASP 220 CO 0.00 0.26 -0.19 0.50 -1.72 0.00 0.00 179.24 178.09 1rqi h LYS 221 N 0.45 0.94 -0.38 3.56 3.64 -1.92 -0.61 116.57 122.24 1rqi h LYS 221 Ca 0.15 -0.38 0.04 0.00 -1.27 0.00 0.00 60.65 59.19 1rqi h LYS 221 Cb -0.00 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 1rqi h LYS 221 CO -0.07 1.04 0.16 0.78 -2.27 0.00 0.00 179.45 179.09 1rqi h GLY 222 N 0.92 0.50 2.00 5.01 0.00 -1.25 -2.64 103.07 107.61 1rqi h GLY 222 Ca 0.11 -0.10 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 1rqi h GLY 222 CO 0.06 0.05 -0.44 3.21 0.00 0.00 0.00 176.54 179.42 1rqi h ARG 223 N 0.33 0.00 0.00 4.80 3.08 -1.10 -2.47 114.38 119.01 1rqi h ARG 223 Ca 0.17 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.17 1rqi h ARG 223 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1rqi h ARG 223 CO -0.15 0.44 -0.24 -0.09 -1.07 0.00 0.00 179.97 178.86 1rqi h ARG 224 N 0.00 0.00 -0.00 0.04 1.12 -0.81 -2.59 114.38 112.13 1rqi h ARG 224 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1rqi h ARG 224 Cb 0.85 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.81 1rqi h ARG 224 CO 0.06 0.24 -0.28 0.00 -3.11 0.00 0.00 179.97 176.88 1rqi n ALA 225 N -2.34 3.10 -0.17 2.80 0.00 -0.94 -4.53 120.51 118.43 1rqi n ALA 225 Ca -0.01 -0.34 -0.08 0.00 0.00 0.00 0.00 53.44 53.01 1rqi n ALA 225 Cb 0.35 -1.19 0.01 0.00 0.00 0.00 0.00 19.45 18.61 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 0.62 0.65 -0.92 0.00 3.38 -1.35 0.01 115.31 117.70 1rqi h LEU 226 Ca 0.00 -0.13 0.13 0.00 0.09 0.00 0.00 57.88 57.97 1rqi h LEU 226 Cb 0.47 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 40.97 1rqi h LEU 226 CO 0.00 0.60 0.54 -0.65 0.09 0.00 0.00 178.44 179.02 1rqi h PRO 227 N 0.65 0.79 0.12 1.13 0.11 -1.79 0.36 132.00 133.36 1rqi h PRO 227 Ca 0.17 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 66.03 1rqi h PRO 227 Cb 0.13 -0.18 0.01 0.00 0.11 0.00 0.00 31.00 31.07 1rqi h PRO 227 CO -0.02 0.53 -0.93 0.28 -0.21 0.00 0.00 178.00 177.65 1rqi h VAL 228 N 0.82 1.38 -0.39 3.15 2.07 -1.82 -3.01 116.25 118.46 1rqi h VAL 228 Ca 0.48 -2.47 0.06 0.00 0.82 0.00 0.00 66.70 65.58 1rqi h VAL 228 Cb 0.56 3.05 -0.02 0.00 -1.52 0.00 0.00 31.29 33.36 1rqi h VAL 228 CO -0.30 0.69 0.26 -0.07 0.02 0.00 0.00 177.57 178.17 1rqi h LEU 229 N -0.43 0.25 -0.13 2.57 3.38 -0.80 -1.39 115.31 118.77 1rqi h LEU 229 Ca -0.18 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1rqi h LEU 229 Cb 1.61 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 1rqi h LEU 229 CO 0.10 0.17 0.05 0.44 0.09 0.00 0.00 178.44 179.28 1rqi h ASP 230 N 0.29 0.06 -0.12 -0.43 3.32 -0.33 0.09 116.42 119.30 1rqi h ASP 230 Ca 0.17 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 1rqi h ASP 230 Cb 0.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1rqi h ASP 230 CO -0.04 0.05 0.08 0.11 -1.72 0.00 0.00 179.24 177.73 1rqi h LYS 231 N 0.11 0.17 -0.52 3.56 6.56 -1.16 -0.58 116.57 124.71 1rqi h LYS 231 Ca 0.05 -0.01 0.10 0.00 -1.06 0.00 0.00 60.65 59.73 1rqi h LYS 231 Cb 0.02 -0.04 -0.09 0.00 -0.57 0.00 0.00 32.23 31.56 1rqi h LYS 231 CO -0.05 0.15 -0.04 -0.92 -2.06 0.00 0.00 179.45 176.53 1rqi h TYR 232 N 0.14 -0.11 -0.40 -1.35 3.20 -1.21 -2.37 116.97 114.86 1rqi h TYR 232 Ca 0.04 0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.83 1rqi h TYR 232 Cb 0.02 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1rqi h TYR 232 CO -0.06 -0.16 -0.25 0.00 -1.64 0.00 0.00 178.16 176.05 1rqi h ALA 233 N 1.48 0.58 -0.14 1.82 0.00 -0.53 -2.32 119.26 120.15 1rqi h ALA 233 Ca 0.26 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1rqi h ALA 233 Cb 0.40 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1rqi h ALA 233 CO -0.47 0.58 0.04 0.93 0.00 0.00 0.00 179.25 180.33 1rqi h GLU 234 N 0.70 0.19 0.04 0.00 5.08 -0.88 0.33 114.58 120.04 1rqi h GLU 234 Ca 0.08 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 1rqi h GLU 234 Cb 0.83 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1rqi h GLU 234 CO 0.07 0.17 -0.43 0.77 -1.00 0.00 0.00 179.01 178.59 1rqi h SER 235 N 0.19 0.14 0.21 1.42 0.02 -1.17 -2.92 113.55 111.44 1rqi h SER 235 Ca 0.05 -0.93 -0.07 0.00 -0.84 0.00 0.00 61.79 60.00 1rqi h SER 235 Cb 0.07 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1rqi h SER 235 CO -0.00 1.19 -0.29 0.16 -1.14 0.00 0.00 176.83 176.74 1rqi h ILE 236 N -0.80 1.24 -0.49 3.27 3.07 -1.41 -1.53 117.51 120.86 1rqi h ILE 236 Ca -0.09 -1.14 -0.05 0.00 1.55 0.00 0.00 64.86 65.13 1rqi h ILE 236 Cb 1.24 1.51 -0.02 0.00 -0.27 0.00 0.00 36.82 39.29 1rqi h ILE 236 CO 0.02 0.34 0.12 1.23 -1.05 0.00 0.00 178.15 178.81 1rqi h GLY 237 N 0.99 0.85 0.69 0.16 0.00 -0.99 0.23 103.07 104.99 1rqi h GLY 237 Ca 0.02 -0.53 -0.07 0.00 0.00 0.00 0.00 47.33 46.74 1rqi h GLY 237 CO 0.04 0.49 -0.23 -2.00 0.00 0.00 0.00 176.54 174.84 1rqi h LEU 238 N 0.67 0.37 -1.52 3.11 5.85 -1.38 -3.05 115.31 119.36 1rqi h LEU 238 Ca 0.15 -0.58 0.12 0.00 0.84 0.00 0.00 57.88 58.41 1rqi h LEU 238 Cb 0.33 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1rqi h LEU 238 CO 0.00 0.89 0.49 0.00 -0.34 0.00 0.00 178.44 179.47 1rqi h ALA 239 N 0.49 1.99 -0.46 1.25 0.00 -1.22 -1.61 119.26 119.69 1rqi h ALA 239 Ca -0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1rqi h ALA 239 Cb 0.84 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1rqi h ALA 239 CO 0.05 -0.17 -0.06 0.35 0.00 0.00 0.00 179.25 179.41 1rqi h PHE 240 N 0.50 0.88 0.05 0.00 3.57 -0.84 -1.04 116.94 120.06 1rqi h PHE 240 Ca 0.35 -0.15 -0.24 0.00 3.53 0.00 0.00 57.97 61.46 1rqi h PHE 240 Cb 0.68 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1rqi h PHE 240 CO -0.00 0.84 -1.13 0.37 -2.23 0.00 0.00 178.31 176.16 1rqi h GLN 241 N 0.74 0.11 -0.04 1.11 5.75 -1.26 -1.70 115.11 119.82 1rqi h GLN 241 Ca 0.13 -0.20 -0.14 0.00 -0.15 0.00 0.00 58.65 58.30 1rqi h GLN 241 Cb 0.54 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.15 1rqi h GLN 241 CO 0.03 1.08 -0.61 -0.24 -2.65 0.00 0.00 178.83 176.44 1rqi h VAL 242 N 0.03 1.41 -0.30 2.39 3.04 -1.20 -0.81 116.25 120.81 1rqi h VAL 242 Ca -0.07 -2.02 -0.13 0.00 -1.01 0.00 0.00 66.70 63.47 1rqi h VAL 242 Cb 1.86 2.05 -0.01 0.00 -2.01 0.00 0.00 31.29 33.18 1rqi h VAL 242 CO 0.16 0.59 -0.33 -0.61 -1.01 0.00 0.00 177.57 176.37 1rqi h GLN 243 N 0.11 0.65 -0.80 4.17 5.75 -1.19 0.26 115.11 124.05 1rqi h GLN 243 Ca -0.01 -0.30 -0.02 0.00 -0.15 0.00 0.00 58.65 58.17 1rqi h GLN 243 Cb 1.10 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.60 1rqi h GLN 243 CO 0.09 0.89 0.41 0.22 -2.65 0.00 0.00 178.83 177.79 1rqi h ASP 244 N 0.55 1.02 -0.34 -0.69 3.58 -0.93 0.07 116.42 119.68 1rqi h ASP 244 Ca 0.06 -0.10 -0.08 0.00 0.42 0.00 0.00 57.03 57.33 1rqi h ASP 244 Cb 0.83 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 1rqi h ASP 244 CO 0.07 0.85 -0.08 0.44 -2.88 0.00 0.00 179.24 177.63 1rqi h ASP 245 N 1.13 0.66 -0.59 2.28 3.32 -0.76 -2.00 116.42 120.46 1rqi h ASP 245 Ca 0.28 -0.36 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 1rqi h ASP 245 Cb 0.07 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1rqi h ASP 245 CO -0.04 0.87 0.26 0.40 -1.72 0.00 0.00 179.24 179.01 1rqi h ILE 246 N 0.44 1.22 0.00 0.35 2.04 -0.69 -2.65 117.51 118.22 1rqi h ILE 246 Ca 0.09 -0.66 -0.07 0.00 1.00 0.00 0.00 64.86 65.22 1rqi h ILE 246 Cb 0.58 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1rqi h ILE 246 CO 0.03 0.26 -0.32 -0.07 0.00 0.00 0.00 178.15 178.05 1rqi h LEU 247 N 0.82 0.00 -1.44 1.44 3.38 -0.96 -1.84 115.31 116.71 1rqi h LEU 247 Ca 0.20 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1rqi h LEU 247 Cb 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1rqi h LEU 247 CO -0.02 0.32 0.05 -0.78 0.09 0.00 0.00 178.44 178.11 1rqi h ASP 248 N 0.00 0.38 0.09 -0.43 1.82 -1.00 -1.07 116.42 116.22 1rqi h ASP 248 Ca -0.00 -0.05 -0.19 0.00 -0.39 0.00 0.00 57.03 56.40 1rqi h ASP 248 Cb 0.78 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.69 1rqi h ASP 248 CO 0.04 0.41 -0.94 0.58 -1.61 0.00 0.00 179.24 177.72 1rqi h VAL 249 N 0.41 1.32 -0.01 2.25 2.07 -1.27 -0.44 116.25 120.58 1rqi h VAL 249 Ca 0.10 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.21 1rqi h VAL 249 Cb 0.19 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 1rqi h VAL 249 CO -0.00 0.65 -0.03 1.33 0.02 0.00 0.00 177.57 179.54 1rqi n VAL 250 N -4.17 0.00 -2.62 2.57 0.24 -0.76 -4.77 118.33 108.82 1rqi n VAL 250 Ca -0.19 -0.49 -0.27 0.00 -2.04 0.00 0.00 64.34 61.35 1rqi n VAL 250 Cb 0.77 1.24 0.01 0.00 -1.47 0.00 0.00 33.84 34.39 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 -1.08 1.52 -0.03 7.63 0.00 -0.41 -5.03 107.32 109.93 1rqi s GLY 251 Ca 0.14 -0.60 -0.21 0.00 0.00 0.00 0.00 44.72 44.05 1rqi s GLY 251 CO 0.17 -0.41 0.59 0.99 0.00 0.00 0.00 173.10 174.44 1rqi s ASP 252 N -4.16 6.93 0.29 1.64 1.11 -1.26 -4.69 116.67 116.52 1rqi s ASP 252 Ca 0.49 1.11 0.05 0.00 0.18 0.00 0.00 52.55 54.37 1rqi s ASP 252 Cb -0.10 -2.36 0.75 0.00 1.07 0.00 0.00 42.92 42.28 1rqi s ASP 252 CO 0.44 0.05 1.71 0.74 1.18 0.00 0.00 175.17 179.29 1rqi h THR 253 N 4.34 0.51 0.00 -1.27 2.02 -1.95 -0.38 112.91 116.17 1rqi h THR 253 Ca -0.44 -0.16 -0.08 0.00 0.77 0.00 0.00 66.41 66.50 1rqi h THR 253 Cb 1.20 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1rqi h THR 253 CO 0.71 0.08 -0.38 0.00 0.37 0.00 0.00 175.52 176.31 1rqi h ALA 254 N 1.70 1.25 0.11 6.16 0.00 -1.92 -1.11 119.26 125.44 1rqi h ALA 254 Ca 0.57 -0.35 -0.29 0.00 0.00 0.00 0.00 54.91 54.84 1rqi h ALA 254 Cb 1.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1rqi h ALA 254 CO -0.50 0.48 -1.52 1.15 0.00 0.00 0.00 179.25 178.86 1rqi h THR 255 N 0.00 0.95 0.00 0.00 2.02 -1.73 -3.37 112.91 110.78 1rqi h THR 255 Ca -0.00 -2.38 -0.08 0.00 0.77 0.00 0.00 66.41 64.72 1rqi h THR 255 Cb 0.73 2.64 -0.01 0.00 -1.74 0.00 0.00 68.15 69.77 1rqi h THR 255 CO 0.05 0.71 -0.39 -0.07 0.37 0.00 0.00 175.52 176.19 1rqi h LEU 256 N -0.28 0.00 0.00 2.58 3.38 -1.08 -3.44 115.31 116.47 1rqi h LEU 256 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1rqi h LEU 256 Cb 1.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.54 1rqi h LEU 256 CO 0.05 0.39 0.00 0.61 0.09 0.00 0.00 178.44 179.58 1rqi n GLY 257 N -0.16 0.51 3.45 0.83 0.00 -0.42 -4.61 105.19 104.79 1rqi n GLY 257 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.29 1.28 -0.13 1.61 -2.85 -1.22 -1.68 119.74 116.45 1rqi s LYS 258 Ca 0.00 -0.80 -0.29 0.00 -1.00 0.00 0.00 55.97 53.87 1rqi s LYS 258 Cb 0.00 0.51 -0.03 0.00 -2.06 0.00 0.00 37.83 36.25 1rqi s LYS 258 CO 0.00 -0.53 1.36 1.03 0.10 0.00 0.00 175.35 177.31 1rqi s ARG 259 N -3.85 4.22 0.23 1.78 0.52 -1.26 -4.40 118.95 116.19 1rqi s ARG 259 Ca 0.07 1.80 -0.32 0.00 -0.52 0.00 0.00 55.73 56.77 1rqi s ARG 259 Cb -0.00 -3.81 -0.13 0.00 0.52 0.00 0.00 34.95 31.53 1rqi s ARG 259 CO -0.06 -0.73 1.44 0.94 0.02 0.00 0.00 175.30 176.91 1rqi n GLN 260 N 6.66 2.07 -0.47 3.54 7.27 -1.26 -2.81 117.38 132.38 1rqi n GLN 260 Ca 0.15 0.74 0.00 0.00 0.07 0.00 0.00 57.00 57.95 1rqi n GLN 260 Cb 0.44 -2.42 0.00 0.00 2.41 0.00 0.00 30.24 30.68 1rqi n GLN 260 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1rqi n GLY 261 N 2.35 0.75 0.34 1.69 0.00 -0.17 -4.95 105.19 105.20 1rqi n GLY 261 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 1.46 -0.15 4.61 0.00 -1.76 -2.00 119.26 121.42 1rqi h ALA 262 Ca 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1rqi h ALA 262 Cb 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1rqi h ALA 262 CO 0.00 0.48 -0.08 -0.44 0.00 0.00 0.00 179.25 179.21 1rqi h ASP 263 N 0.97 0.34 -0.69 0.00 3.32 -1.90 -2.92 116.42 115.54 1rqi h ASP 263 Ca 0.26 -0.42 0.03 0.00 0.02 0.00 0.00 57.03 56.92 1rqi h ASP 263 Cb -0.09 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.33 1rqi h ASP 263 CO -0.05 0.69 0.43 1.56 -1.72 0.00 0.00 179.24 180.14 1rqi h GLN 264 N -0.01 0.81 -0.27 3.56 4.20 -1.84 -0.39 115.11 121.18 1rqi h GLN 264 Ca 0.03 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 1rqi h GLN 264 Cb 0.56 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1rqi h GLN 264 CO 0.02 0.54 0.03 0.37 -0.67 0.00 0.00 178.83 179.12 1rqi h GLN 265 N 0.84 0.39 -0.02 1.46 5.75 -1.36 -2.71 115.11 119.46 1rqi h GLN 265 Ca 0.28 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.72 1rqi h GLN 265 Cb 0.03 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.51 1rqi h GLN 265 CO -0.11 0.40 -0.37 1.28 -2.65 0.00 0.00 178.83 177.38 1rqi n LEU 266 N -4.35 2.05 -2.19 -2.39 4.77 -1.05 -4.98 117.00 108.86 1rqi n LEU 266 Ca 0.01 -0.73 -0.17 0.00 -0.03 0.00 0.00 56.01 55.08 1rqi n LEU 266 Cb 0.19 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 1rqi n LEU 266 CO 0.37 0.37 -0.10 0.61 -1.33 0.00 0.00 177.39 177.32 1rqi n GLY 267 N 1.39 -0.29 3.76 -0.72 0.00 -0.27 -4.42 105.19 104.64 1rqi n GLY 267 Ca 0.11 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1rqi n GLY 267 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rqi n LYS 268 N -3.00 2.33 -2.56 1.61 4.76 -0.55 -1.11 118.16 119.64 1rqi n LYS 268 Ca -0.14 0.82 -0.42 0.00 -2.87 0.00 0.00 58.31 55.70 1rqi n LYS 268 Cb 0.62 -2.60 -0.03 0.00 -1.84 0.00 0.00 35.03 31.18 1rqi n LYS 268 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1rqi s SER 269 N -0.38 7.16 0.16 4.39 0.01 -1.26 -4.82 113.70 118.97 1rqi s SER 269 Ca 0.59 1.74 -0.06 0.00 1.31 0.00 0.00 55.95 59.53 1rqi s SER 269 Cb -0.47 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.18 1rqi s SER 269 CO 0.59 -0.47 0.19 0.42 0.41 0.00 0.00 173.24 174.38 1rqi s THR 270 N 1.77 0.07 0.09 1.44 -4.23 -1.26 -5.05 115.64 108.47 1rqi s THR 270 Ca 0.54 -1.63 -0.19 0.00 -1.18 0.00 0.00 61.69 59.23 1rqi s THR 270 Cb -0.23 -1.97 -0.08 0.00 1.34 0.00 0.00 72.50 71.56 1rqi s THR 270 CO 0.23 -0.34 1.57 1.88 -0.54 0.00 0.00 174.62 177.42 1rqi h TYR 271 N 2.66 0.43 -0.48 3.99 0.05 -1.93 -2.58 116.97 119.11 1rqi h TYR 271 Ca -0.33 -0.06 -0.07 0.00 0.05 0.00 0.00 58.73 58.32 1rqi h TYR 271 Cb 1.22 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.82 1rqi h TYR 271 CO 0.41 0.51 -0.01 -1.35 -1.05 0.00 0.00 178.16 176.68 1rqi h PRO 272 N 0.22 0.79 -0.51 4.88 0.11 -1.89 0.37 132.00 135.98 1rqi h PRO 272 Ca 0.08 -0.22 -0.04 0.00 0.11 0.00 0.00 66.00 65.93 1rqi h PRO 272 Cb 0.31 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.31 1rqi h PRO 272 CO 0.00 0.80 0.15 0.00 -0.21 0.00 0.00 178.00 178.75 1rqi h ALA 273 N 1.25 0.67 0.04 -0.75 0.00 -1.86 0.84 119.26 119.45 1rqi h ALA 273 Ca 0.14 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1rqi h ALA 273 Cb 0.46 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1rqi h ALA 273 CO 0.02 0.34 -0.02 1.25 0.00 0.00 0.00 179.25 180.84 1rqi h LEU 274 N 0.70 -0.05 -0.12 0.00 5.85 -1.45 -3.39 115.31 116.85 1rqi h LEU 274 Ca 0.16 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1rqi h LEU 274 Cb 0.29 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1rqi h LEU 274 CO -0.00 0.69 -0.93 0.18 -0.34 0.00 0.00 178.44 178.04 1rqi n LEU 275 N -4.75 1.11 -0.18 2.25 4.77 0.12 -5.08 117.00 115.23 1rqi n LEU 275 Ca -0.08 -0.52 0.02 0.00 -0.03 0.00 0.00 56.01 55.40 1rqi n LEU 275 Cb 0.33 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.41 1rqi n LEU 275 CO 0.28 0.26 -0.05 0.61 -1.33 0.00 0.00 177.39 177.16 1rqi n GLY 276 N 1.49 -1.98 0.06 -0.72 0.00 0.29 -4.31 105.19 100.02 1rqi n GLY 276 Ca 0.05 -1.45 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.17 -0.02 0.44 0.99 3.38 -1.89 -2.66 115.31 115.38 1rqi h LEU 277 Ca -0.01 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 1rqi h LEU 277 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1rqi h LEU 277 CO 0.01 0.36 -0.22 -0.08 0.09 0.00 0.00 178.44 178.60 1rqi h GLU 278 N -0.39 -0.58 -0.56 1.13 4.81 -1.96 -0.32 114.58 116.70 1rqi h GLU 278 Ca -0.00 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 1rqi h GLU 278 Cb 0.38 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 1rqi h GLU 278 CO 0.00 -0.39 0.37 1.96 -0.73 0.00 0.00 179.01 180.23 1rqi h GLN 279 N -0.60 0.54 -0.21 1.92 4.20 -1.75 -1.31 115.11 117.89 1rqi h GLN 279 Ca -0.06 -0.03 -0.20 0.00 0.06 0.00 0.00 58.65 58.42 1rqi h GLN 279 Cb 0.46 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1rqi h GLN 279 CO 0.10 0.36 -0.65 0.00 -0.67 0.00 0.00 178.83 177.96 1rqi h ALA 280 N 1.69 0.44 -0.53 3.87 0.00 -1.08 -1.51 119.26 122.14 1rqi h ALA 280 Ca 0.24 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1rqi h ALA 280 Cb 0.24 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1rqi h ALA 280 CO -0.07 0.69 0.22 0.00 0.00 0.00 0.00 179.25 180.09 1rqi h ARG 281 N 0.57 0.76 -0.31 0.00 3.08 -0.66 -2.35 114.38 115.47 1rqi h ARG 281 Ca -0.01 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 59.84 1rqi h ARG 281 Cb 1.26 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 1rqi h ARG 281 CO 0.14 0.62 -0.15 -0.22 -1.07 0.00 0.00 179.97 179.29 1rqi h LYS 282 N 0.75 0.64 -0.61 0.04 1.63 -0.99 -1.33 116.57 116.70 1rqi h LYS 282 Ca 0.18 -0.28 -0.01 0.00 -0.85 0.00 0.00 60.65 59.69 1rqi h LYS 282 Cb 0.14 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.72 1rqi h LYS 282 CO -0.02 0.86 0.35 -0.22 -3.45 0.00 0.00 179.45 176.98 1rqi h LYS 283 N 0.40 0.84 -0.51 1.90 1.63 -1.22 -0.73 116.57 118.88 1rqi h LYS 283 Ca 0.07 -0.09 -0.04 0.00 -0.85 0.00 0.00 60.65 59.74 1rqi h LYS 283 Cb 0.67 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 32.10 1rqi h LYS 283 CO 0.04 0.63 0.15 0.00 -3.45 0.00 0.00 179.45 176.82 1rqi h ALA 284 N 1.17 1.30 -0.24 5.00 0.00 -1.12 -1.76 119.26 123.60 1rqi h ALA 284 Ca 0.22 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1rqi h ALA 284 Cb 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1rqi h ALA 284 CO -0.04 0.50 -0.42 -0.09 0.00 0.00 0.00 179.25 179.20 1rqi h ARG 285 N 0.75 0.59 -0.68 0.00 2.43 -0.83 -2.64 114.38 114.00 1rqi h ARG 285 Ca 0.17 -0.31 -0.04 0.00 -0.81 0.00 0.00 59.98 59.00 1rqi h ARG 285 Cb 0.24 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1rqi h ARG 285 CO -0.01 0.90 0.28 -0.44 -1.51 0.00 0.00 179.97 179.19 1rqi h ASP 286 N 0.48 0.91 0.27 -3.80 3.45 -0.39 -1.23 116.42 116.12 1rqi h ASP 286 Ca 0.04 -0.12 -0.12 0.00 0.43 0.00 0.00 57.03 57.25 1rqi h ASP 286 Cb 0.93 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.46 1rqi h ASP 286 CO 0.08 0.81 -0.49 -0.07 -1.57 0.00 0.00 179.24 178.00 1rqi h LEU 287 N 0.98 0.27 -0.10 1.55 3.38 -1.15 -1.83 115.31 118.42 1rqi h LEU 287 Ca 0.23 -0.13 -0.22 0.00 0.09 0.00 0.00 57.88 57.85 1rqi h LEU 287 Cb 0.18 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1rqi h LEU 287 CO -0.02 0.72 -1.01 0.40 0.09 0.00 0.00 178.44 178.63 1rqi h ILE 288 N 0.20 1.55 -0.69 1.22 1.08 -1.16 0.27 117.51 119.98 1rqi h ILE 288 Ca 0.01 -2.94 -0.01 0.00 -0.39 0.00 0.00 64.86 61.53 1rqi h ILE 288 Cb 0.94 2.69 -0.03 0.00 -3.07 0.00 0.00 36.82 37.35 1rqi h ILE 288 CO 0.08 0.85 0.41 0.44 -0.69 0.00 0.00 178.15 179.24 1rqi h ASP 289 N 0.07 0.84 -0.32 1.72 3.45 -1.09 -0.25 116.42 120.84 1rqi h ASP 289 Ca -0.06 -0.07 -0.12 0.00 0.43 0.00 0.00 57.03 57.21 1rqi h ASP 289 Cb 1.70 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 40.25 1rqi h ASP 289 CO 0.15 0.66 -0.28 -0.78 -1.57 0.00 0.00 179.24 177.42 1rqi h ASP 290 N 0.94 0.80 -0.74 6.45 3.58 -1.22 -2.16 116.42 124.08 1rqi h ASP 290 Ca 0.25 -0.46 0.07 0.00 0.42 0.00 0.00 57.03 57.30 1rqi h ASP 290 Cb -0.01 -0.22 -0.06 0.00 1.72 0.00 0.00 39.33 40.75 1rqi h ASP 290 CO -0.04 1.09 0.42 0.00 -2.88 0.00 0.00 179.24 177.83 1rqi h ALA 291 N 0.73 1.01 -0.37 -0.78 0.00 -0.75 -1.71 119.26 117.38 1rqi h ALA 291 Ca 0.05 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1rqi h ALA 291 Cb 0.85 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1rqi h ALA 291 CO 0.07 0.10 0.05 0.00 0.00 0.00 0.00 179.25 179.48 1rqi h ARG 292 N 0.76 0.56 -0.82 0.00 3.08 -0.86 -2.07 114.38 115.04 1rqi h ARG 292 Ca 0.33 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.24 1rqi h ARG 292 Cb 0.22 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 1rqi h ARG 292 CO -0.19 0.55 0.35 1.96 -1.07 0.00 0.00 179.97 181.56 1rqi h GLN 293 N 0.55 1.20 -0.10 0.04 1.08 -0.66 -1.86 115.11 115.35 1rqi h GLN 293 Ca 0.12 -0.20 -0.12 0.00 -1.45 0.00 0.00 58.65 57.00 1rqi h GLN 293 Cb 0.27 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 1rqi h GLN 293 CO 0.00 0.96 -0.48 0.77 -0.95 0.00 0.00 178.83 179.13 1rqi h SER 294 N 1.18 0.27 0.55 1.46 0.02 -0.99 -2.50 113.55 113.55 1rqi h SER 294 Ca 0.28 -0.13 -0.12 0.00 -0.84 0.00 0.00 61.79 60.98 1rqi h SER 294 Cb 0.18 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1rqi h SER 294 CO -0.03 0.72 -0.56 -0.07 -1.14 0.00 0.00 176.83 175.75 1rqi h LEU 295 N 0.20 0.01 -1.17 5.07 3.38 -1.20 -2.79 115.31 118.81 1rqi h LEU 295 Ca 0.01 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1rqi h LEU 295 Cb 0.93 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1rqi h LEU 295 CO 0.08 0.56 0.06 0.11 0.09 0.00 0.00 178.44 179.34 1rqi h LYS 296 N 0.01 0.63 0.00 1.13 6.56 -0.89 -2.36 116.57 121.64 1rqi h LYS 296 Ca -0.01 -0.13 -0.08 0.00 -1.06 0.00 0.00 60.65 59.38 1rqi h LYS 296 Cb 0.99 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 32.54 1rqi h LYS 296 CO 0.07 0.61 -0.36 1.96 -2.06 0.00 0.00 179.45 179.67 1rqi h GLN 297 N 0.61 0.00 0.00 3.15 4.20 -1.27 -3.09 115.11 118.72 1rqi h GLN 297 Ca 0.13 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.68 1rqi h GLN 297 Cb 0.30 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1rqi h GLN 297 CO 0.00 0.36 -0.76 -0.07 -0.67 0.00 0.00 178.83 177.70 1rqi h LEU 298 N 0.00 0.00 -7.05 1.46 3.38 -1.35 -3.24 115.31 108.51 1rqi h LEU 298 Ca -0.00 0.00 -0.75 0.00 0.09 0.00 0.00 57.88 57.22 1rqi h LEU 298 Cb 0.81 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.39 1rqi h LEU 298 CO 0.05 0.76 1.68 0.00 0.09 0.00 0.00 178.44 181.01 1rqi n ALA 299 N -2.38 4.67 0.00 1.53 0.00 -1.01 -2.02 120.51 121.29 1rqi n ALA 299 Ca -0.01 -4.30 0.00 0.00 0.00 0.00 0.00 53.44 49.13 1rqi n ALA 299 Cb 0.75 -2.99 0.00 0.00 0.00 0.00 0.00 19.45 17.20 1rqi n ALA 299 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1rqi n GLU 300 N 4.60 0.00 -0.20 0.00 2.13 -1.25 -4.78 120.64 121.14 1rqi n GLU 300 Ca 0.38 0.00 0.02 0.00 0.66 0.00 0.00 57.16 58.22 1rqi n GLU 300 Cb 0.39 0.00 0.10 0.00 0.27 0.00 0.00 31.44 32.20 1rqi n GLU 300 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1rqi n GLN 301 N 0.00 1.86 -1.15 5.31 6.02 -0.86 -4.95 117.38 123.61 1rqi n GLN 301 Ca 0.00 -0.78 -0.05 0.00 -0.01 0.00 0.00 57.00 56.16 1rqi n GLN 301 Cb 0.00 -1.55 -0.02 0.00 1.02 0.00 0.00 30.24 29.68 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 0.13 -4.70 -4.85 1.08 7.64 -1.18 -5.01 113.62 106.74 1rqi n SER 302 Ca 0.07 0.13 -0.34 0.00 1.01 0.00 0.00 58.87 59.74 1rqi n SER 302 Cb 0.41 -2.66 -0.06 0.00 -1.01 0.00 0.00 64.21 60.89 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 -1.18 4.25 -0.69 -3.43 1.43 -0.86 -4.99 118.68 113.21 1rqi s LEU 303 Ca 0.00 1.07 -0.21 0.00 -1.03 0.00 0.00 54.13 53.96 1rqi s LEU 303 Cb 0.00 -3.53 0.09 0.00 0.03 0.00 0.00 46.19 42.78 1rqi s LEU 303 CO 0.00 -0.00 0.92 -0.62 0.23 0.00 0.00 176.35 176.88 1rqi s ASP 304 N -2.00 6.26 -0.01 2.29 2.15 -1.26 -4.13 116.67 119.97 1rqi s ASP 304 Ca 0.43 -1.31 0.08 0.00 0.43 0.00 0.00 52.55 52.18 1rqi s ASP 304 Cb -0.13 -2.38 0.23 0.00 -0.30 0.00 0.00 42.92 40.34 1rqi s ASP 304 CO 0.20 -1.28 1.17 0.35 -0.17 0.00 0.00 175.17 175.43 1rqi n THR 305 N 5.73 0.40 -0.31 1.71 -2.24 -1.26 -4.58 114.28 113.72 1rqi n THR 305 Ca -0.00 -0.36 -0.02 0.00 -2.27 0.00 0.00 64.05 61.40 1rqi n THR 305 Cb 0.45 0.12 0.10 0.00 -2.10 0.00 0.00 70.33 68.90 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 1.50 0.93 -0.18 3.42 4.64 -1.99 -1.49 113.55 120.39 1rqi h SER 306 Ca 0.00 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.14 1rqi h SER 306 Cb 0.41 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1rqi h SER 306 CO 0.02 0.65 -0.50 0.00 -0.87 0.00 0.00 176.83 176.13 1rqi h ALA 307 N 1.34 0.60 0.00 5.18 0.00 -1.95 -2.22 119.26 122.21 1rqi h ALA 307 Ca 0.33 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1rqi h ALA 307 Cb -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1rqi h ALA 307 CO -0.10 0.68 -0.24 -0.07 0.00 0.00 0.00 179.25 179.52 1rqi h LEU 308 N 0.59 0.00 0.06 0.00 3.38 -1.76 -1.85 115.31 115.73 1rqi h LEU 308 Ca 0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 1rqi h LEU 308 Cb 1.08 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.84 1rqi h LEU 308 CO 0.11 0.24 -0.56 -0.33 0.09 0.00 0.00 178.44 177.98 1rqi h GLU 309 N 0.00 0.27 -0.93 1.13 5.08 -1.20 -2.76 114.58 116.17 1rqi h GLU 309 Ca -0.00 -0.38 0.02 0.00 -1.00 0.00 0.00 59.36 58.00 1rqi h GLU 309 Cb 0.57 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.90 1rqi h GLU 309 CO 0.03 1.12 0.61 0.00 -1.00 0.00 0.00 179.01 179.78 1rqi h ALA 310 N 0.17 1.37 -0.40 3.43 0.00 -1.33 -2.00 119.26 120.50 1rqi h ALA 310 Ca -0.09 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 1rqi h ALA 310 Cb 1.37 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1rqi h ALA 310 CO 0.11 0.56 -0.26 1.25 0.00 0.00 0.00 179.25 180.91 1rqi h LEU 311 N 1.21 0.92 -0.59 0.00 5.85 -1.44 -1.60 115.31 119.66 1rqi h LEU 311 Ca 0.36 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1rqi h LEU 311 Cb -0.06 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.68 1rqi h LEU 311 CO -0.09 1.15 0.31 0.00 -0.34 0.00 0.00 178.44 179.47 1rqi h ALA 312 N 0.80 0.76 -0.37 1.25 0.00 -1.14 0.20 119.26 120.76 1rqi h ALA 312 Ca 0.08 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1rqi h ALA 312 Cb 0.83 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1rqi h ALA 312 CO 0.07 0.29 0.23 -0.44 0.00 0.00 0.00 179.25 179.40 1rqi h ASP 313 N 0.80 0.45 -0.20 0.00 3.32 -1.37 -2.95 116.42 116.47 1rqi h ASP 313 Ca 0.21 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1rqi h ASP 313 Cb 0.07 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1rqi h ASP 313 CO -0.03 0.37 0.11 0.22 -1.72 0.00 0.00 179.24 178.19 1rqi h TYR 314 N 0.49 0.29 -0.82 4.55 5.03 -0.38 -1.87 116.97 124.25 1rqi h TYR 314 Ca 0.13 0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.48 1rqi h TYR 314 Cb -0.00 -0.09 -0.05 0.00 1.55 0.00 0.00 36.73 38.14 1rqi h TYR 314 CO -0.04 0.21 0.54 0.82 -1.32 0.00 0.00 178.16 178.37 1rqi h ILE 315 N 0.30 1.14 -0.01 1.81 2.04 -0.80 -0.84 117.51 121.15 1rqi h ILE 315 Ca 0.08 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1rqi h ILE 315 Cb 0.02 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.12 1rqi h ILE 315 CO -0.01 0.19 -0.55 2.30 0.00 0.00 0.00 178.15 180.08 1rqi n ILE 316 N -4.44 0.00 0.00 -0.67 -5.35 -0.82 -4.32 119.36 103.77 1rqi n ILE 316 Ca 0.11 -0.23 0.10 0.00 -0.27 0.00 0.00 62.75 62.46 1rqi n ILE 316 Cb 0.10 1.15 -0.14 0.00 -1.74 0.00 0.00 39.64 39.01 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 -0.52 0.65 -1.51 6.28 6.02 -0.77 -5.01 117.38 122.53 1rqi n GLN 317 Ca 0.06 -0.14 -0.34 0.00 -0.01 0.00 0.00 57.00 56.57 1rqi n GLN 317 Cb 0.36 -1.57 0.08 0.00 1.02 0.00 0.00 30.24 30.14 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 -3.45 2.26 -0.06 -1.09 1.70 -0.34 -4.95 118.95 113.03 1rqi s ARG 318 Ca -0.07 1.75 0.10 0.00 -0.47 0.00 0.00 55.73 57.04 1rqi s ARG 318 Cb 0.13 -1.85 0.28 0.00 -0.57 0.00 0.00 34.95 32.94 1rqi s ARG 318 CO 0.89 -1.74 1.21 0.27 -1.08 0.00 0.00 175.30 174.85 1rqi n ASN 319 N -2.58 2.83 0.00 -2.89 0.23 -1.26 -5.05 115.26 106.54 1rqi n ASN 319 Ca 0.13 -2.36 0.00 0.00 -0.53 0.00 0.00 54.58 51.82 1rqi n ASN 319 Cb 0.50 -0.27 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 1rqi n ASN 319 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62