#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xqf s VAL 4 N 0.00 2.69 0.27 0.00 0.11 -1.26 -4.79 120.40 117.42 1xqf s VAL 4 Ca 0.00 -1.18 -0.30 0.00 -2.93 0.00 0.00 61.98 57.57 1xqf s VAL 4 Cb 0.00 -2.11 -0.09 0.00 -1.53 0.00 0.00 36.38 32.64 1xqf s VAL 4 CO 0.00 0.36 1.08 0.00 -3.33 0.00 0.00 175.10 173.21 1xqf s ALA 5 N -0.89 3.40 -0.26 1.54 0.00 -1.26 -4.82 121.76 119.47 1xqf s ALA 5 Ca 0.14 0.85 -0.14 0.00 0.00 0.00 0.00 51.96 52.82 1xqf s ALA 5 Cb -0.10 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1xqf s ALA 5 CO 0.04 -0.11 0.31 0.34 0.00 0.00 0.00 175.76 176.34 1xqf s ASP 6 N -0.88 6.21 0.44 0.00 -1.08 -0.74 -5.00 116.67 115.62 1xqf s ASP 6 Ca 0.44 0.23 0.15 0.00 -0.52 0.00 0.00 52.55 52.85 1xqf s ASP 6 Cb -0.31 -2.18 0.98 0.00 -1.46 0.00 0.00 42.92 39.95 1xqf s ASP 6 CO 0.39 -0.11 1.96 0.11 0.52 0.00 0.00 175.17 178.05 1xqf h LYS 7 N 8.03 0.00 -0.47 4.34 1.57 -1.96 -0.97 116.57 127.12 1xqf h LYS 7 Ca -0.34 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.40 1xqf h LYS 7 Cb 1.17 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 1xqf h LYS 7 CO 0.63 0.22 0.11 0.00 -0.57 0.00 0.00 179.45 179.84 1xqf h ALA 8 N 1.78 0.62 -0.55 3.86 0.00 -1.96 -1.24 119.26 121.77 1xqf h ALA 8 Ca -0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1xqf h ALA 8 Cb 0.40 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1xqf h ALA 8 CO 0.03 0.31 -0.11 -0.44 0.00 0.00 0.00 179.25 179.04 1xqf h ASP 9 N 0.63 1.05 -0.37 0.00 3.32 -1.71 -2.11 116.42 117.23 1xqf h ASP 9 Ca 0.15 -0.35 0.05 0.00 0.02 0.00 0.00 57.03 56.90 1xqf h ASP 9 Cb 0.33 -0.29 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 1xqf h ASP 9 CO 0.00 1.16 0.09 0.78 -1.72 0.00 0.00 179.24 179.55 1xqf h ASN 10 N 0.93 0.06 0.24 6.45 2.35 -1.10 -1.56 115.58 122.95 1xqf h ASN 10 Ca 0.14 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 1xqf h ASN 10 Cb 0.68 0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.12 1xqf h ASN 10 CO 0.05 0.07 -0.11 0.00 -1.65 0.00 0.00 177.43 175.78 1xqf h ALA 11 N 1.26 -0.32 -0.44 -0.83 0.00 -1.16 -2.04 119.26 115.73 1xqf h ALA 11 Ca 0.17 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1xqf h ALA 11 Cb 0.18 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 1xqf h ALA 11 CO -0.21 -0.67 0.12 0.35 0.00 0.00 0.00 179.25 178.83 1xqf h PHE 12 N -0.34 0.20 -0.06 0.00 3.57 -1.31 -2.50 116.94 116.50 1xqf h PHE 12 Ca -0.03 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.32 1xqf h PHE 12 Cb 0.26 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1xqf h PHE 12 CO -0.06 0.04 -0.72 0.52 -2.23 0.00 0.00 178.31 175.86 1xqf h MET 13 N 0.26 0.32 -0.44 1.11 2.86 -1.26 -1.09 114.93 116.69 1xqf h MET 13 Ca 0.21 -0.26 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 1xqf h MET 13 Cb 0.25 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1xqf h MET 13 CO -0.25 0.91 0.17 0.52 1.06 0.00 0.00 176.91 179.32 1xqf h MET 14 N 0.21 0.67 -0.61 1.72 2.86 -1.30 -2.02 114.93 116.46 1xqf h MET 14 Ca -0.03 -0.12 -0.10 0.00 -2.06 0.00 0.00 59.70 57.39 1xqf h MET 14 Cb 1.29 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.82 1xqf h MET 14 CO 0.12 0.61 -0.01 0.82 1.06 0.00 0.00 176.91 179.51 1xqf h ILE 15 N 0.57 1.27 -0.66 -1.22 1.08 -1.35 -2.39 117.51 114.80 1xqf h ILE 15 Ca 0.15 -1.17 -0.04 0.00 -0.39 0.00 0.00 64.86 63.41 1xqf h ILE 15 Cb 0.20 0.80 -0.03 0.00 -3.07 0.00 0.00 36.82 34.72 1xqf h ILE 15 CO -0.01 0.43 0.25 0.00 -0.69 0.00 0.00 178.15 178.13 1xqf h THR 17 N 0.96 1.14 -0.74 0.00 2.02 -1.16 -1.23 112.91 113.91 1xqf h THR 17 Ca 0.22 -0.32 0.02 0.00 0.77 0.00 0.00 66.41 67.10 1xqf h THR 17 Cb 0.20 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 1xqf h THR 17 CO -0.02 0.14 0.47 0.00 0.37 0.00 0.00 175.52 176.49 1xqf h ALA 18 N 1.12 0.96 -0.92 6.16 0.00 -1.07 -1.47 119.26 124.03 1xqf h ALA 18 Ca 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1xqf h ALA 18 Cb -0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 1xqf h ALA 18 CO -0.03 0.29 0.56 -0.07 0.00 0.00 0.00 179.25 180.00 1xqf h LEU 19 N 0.94 1.11 -0.51 0.00 3.38 -1.06 -2.07 115.31 117.10 1xqf h LEU 19 Ca 0.29 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 58.04 1xqf h LEU 19 Cb -0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1xqf h LEU 19 CO -0.09 0.85 -0.40 0.58 0.09 0.00 0.00 178.44 179.47 1xqf h VAL 20 N 1.27 1.29 -0.71 1.22 2.07 -0.81 -2.82 116.25 117.75 1xqf h VAL 20 Ca 0.33 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1xqf h VAL 20 Cb -0.06 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1xqf h VAL 20 CO -0.06 0.51 0.44 -0.07 0.02 0.00 0.00 177.57 178.41 1xqf h LEU 21 N 0.63 0.83 -1.35 2.57 3.38 -1.11 -2.50 115.31 117.75 1xqf h LEU 21 Ca 0.05 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1xqf h LEU 21 Cb 0.96 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 1xqf h LEU 21 CO 0.09 0.63 0.48 0.15 0.09 0.00 0.00 178.44 179.87 1xqf h PHE 22 N 0.97 0.80 -0.86 1.13 3.57 -1.23 -1.08 116.94 120.23 1xqf h PHE 22 Ca 0.26 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.90 1xqf h PHE 22 Cb -0.06 -0.26 -0.07 0.00 2.79 0.00 0.00 35.95 38.35 1xqf h PHE 22 CO 0.00 0.44 0.56 0.52 -2.23 0.00 0.00 178.31 177.60 1xqf h MET 23 N 0.80 0.70 0.01 1.11 2.86 -1.20 -2.49 114.93 116.73 1xqf h MET 23 Ca 0.30 -0.04 -0.20 0.00 -2.06 0.00 0.00 59.70 57.70 1xqf h MET 23 Cb 0.18 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 1xqf h MET 23 CO -0.10 0.46 -1.11 1.15 1.06 0.00 0.00 176.91 178.38 1xqf h THR 24 N 0.72 1.05 -3.52 2.22 2.02 -1.50 0.12 112.91 114.02 1xqf h THR 24 Ca 0.42 -2.23 -0.68 0.00 0.77 0.00 0.00 66.41 64.69 1xqf h THR 24 Cb 0.61 2.45 -0.36 0.00 -1.74 0.00 0.00 68.15 69.11 1xqf h THR 24 CO -0.18 0.41 -0.52 -0.63 0.37 0.00 0.00 175.52 174.97 1xqf s ILE 25 N -2.36 3.21 -1.15 3.11 -1.09 -0.46 -3.39 121.20 119.07 1xqf s ILE 25 Ca -0.26 -2.55 0.13 0.00 -2.23 0.00 0.00 60.65 55.73 1xqf s ILE 25 Cb 0.04 -3.18 0.34 0.00 -1.58 0.00 0.00 42.46 38.09 1xqf s ILE 25 CO 0.63 -0.75 1.27 -0.81 -1.23 0.00 0.00 174.94 174.04 1xqf n PRO 26 N 4.00 2.68 0.01 2.79 -0.04 -1.17 -4.15 135.00 139.12 1xqf n PRO 26 Ca 0.03 -2.08 -0.10 0.00 -0.04 0.00 0.00 63.50 61.31 1xqf n PRO 26 Cb 0.39 -1.31 -0.06 0.00 -0.04 0.00 0.00 33.50 32.47 1xqf n PRO 26 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1xqf h GLY 27 N 2.42 -1.25 1.90 0.55 0.00 -1.41 -0.99 103.07 104.30 1xqf h GLY 27 Ca 0.00 0.67 -0.07 0.00 0.00 0.00 0.00 47.33 47.93 1xqf h GLY 27 CO 0.00 -0.34 -0.27 1.19 0.00 0.00 0.00 176.54 177.12 1xqf h ILE 28 N -0.39 1.22 -0.49 2.60 6.09 -0.83 -1.78 117.51 123.93 1xqf h ILE 28 Ca 0.02 -1.06 -0.06 0.00 -1.37 0.00 0.00 64.86 62.39 1xqf h ILE 28 Cb 0.45 1.48 -0.02 0.00 0.47 0.00 0.00 36.82 39.20 1xqf h ILE 28 CO -0.27 0.31 0.08 0.00 -3.07 0.00 0.00 178.15 175.20 1xqf h ALA 29 N 1.62 0.66 -0.21 0.18 0.00 -1.58 -2.17 119.26 117.77 1xqf h ALA 29 Ca 0.02 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 1xqf h ALA 29 Cb 0.54 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xqf h ALA 29 CO 0.04 0.39 -0.60 -0.07 0.00 0.00 0.00 179.25 179.01 1xqf h LEU 30 N 0.70 0.78 0.13 0.00 3.38 -0.94 -0.34 115.31 119.02 1xqf h LEU 30 Ca 0.15 -0.44 0.02 0.00 0.09 0.00 0.00 57.88 57.70 1xqf h LEU 30 Cb 0.40 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1xqf h LEU 30 CO 0.01 1.20 -0.33 0.15 0.09 0.00 0.00 178.44 179.56 1xqf h PHE 31 N 0.52 -0.91 -0.22 1.13 3.57 -1.29 -2.39 116.94 117.34 1xqf h PHE 31 Ca -0.00 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.41 1xqf h PHE 31 Cb 1.19 0.38 -0.01 0.00 2.79 0.00 0.00 35.95 40.30 1xqf h PHE 31 CO 0.06 -0.44 -0.33 1.88 -2.23 0.00 0.00 178.31 177.24 1xqf h TYR 32 N -0.57 0.54 -0.77 0.41 0.05 -1.43 -3.13 116.97 112.07 1xqf h TYR 32 Ca 0.03 -0.14 0.12 0.00 0.05 0.00 0.00 58.73 58.79 1xqf h TYR 32 Cb 0.59 -0.13 -0.05 0.00 1.01 0.00 0.00 36.73 38.16 1xqf h TYR 32 CO -0.29 0.75 0.51 0.78 -1.05 0.00 0.00 178.16 178.86 1xqf h GLY 33 N 1.07 0.89 1.73 3.88 0.00 -0.75 -1.78 103.07 108.12 1xqf h GLY 33 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1xqf h GLY 33 CO 0.06 0.11 -0.26 -1.33 0.00 0.00 0.00 176.54 175.12 1xqf h GLY 34 N 0.57 0.00 0.69 4.60 0.00 -1.38 -3.37 103.07 104.18 1xqf h GLY 34 Ca 0.37 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.40 1xqf h GLY 34 CO -0.14 0.00 -1.53 1.41 0.00 0.00 0.00 176.54 176.29 1xqf h LEU 35 N 0.00 0.47-10.61 3.11 3.38 -1.37 -2.58 115.31 107.71 1xqf h LEU 35 Ca 0.00 -0.89 -0.47 0.00 0.09 0.00 0.00 57.88 56.61 1xqf h LEU 35 Cb 0.97 -0.15 0.10 0.00 0.09 0.00 0.00 40.66 41.66 1xqf h LEU 35 CO 0.00 1.68 0.39 0.27 0.09 0.00 0.00 178.44 180.87 1xqf s ILE 36 N -2.51 2.05 0.36 1.22 -4.36 -0.88 -4.11 121.20 112.96 1xqf s ILE 36 Ca -0.18 -0.02 -0.28 0.00 -0.26 0.00 0.00 60.65 59.90 1xqf s ILE 36 Cb 0.05 -3.01 -0.11 0.00 1.25 0.00 0.00 42.46 40.64 1xqf s ILE 36 CO 0.80 -0.01 1.43 -0.60 0.24 0.00 0.00 174.94 176.81 1xqf s ARG 37 N -5.54 4.19 0.29 0.37 6.06 -1.26 -4.47 118.95 118.59 1xqf s ARG 37 Ca 0.62 2.46 0.01 0.00 -2.50 0.00 0.00 55.73 56.32 1xqf s ARG 37 Cb -0.11 -3.00 0.55 0.00 0.06 0.00 0.00 34.95 32.44 1xqf s ARG 37 CO 0.49 -0.43 1.87 0.78 -2.50 0.00 0.00 175.30 175.50 1xqf h GLY 38 N 3.22 1.50 2.00 8.12 0.00 -1.95 -0.97 103.07 114.98 1xqf h GLY 38 Ca -0.50 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.41 1xqf h GLY 38 CO 0.65 0.22 0.00 0.58 0.00 0.00 0.00 176.54 178.00 1xqf n LYS 39 N -4.56 0.05 0.00 4.80 2.85 -1.26 -2.55 118.16 117.50 1xqf n LYS 39 Ca 0.17 0.42 0.07 0.00 -1.05 0.00 0.00 58.31 57.92 1xqf n LYS 39 Cb 0.29 -1.63 0.03 0.00 -0.65 0.00 0.00 35.03 33.07 1xqf n LYS 39 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1xqf n ASN 40 N -1.74 1.87 -0.05 -5.58 3.02 -0.37 -4.74 115.26 107.67 1xqf n ASN 40 Ca 0.01 -1.44 -0.12 0.00 -0.03 0.00 0.00 54.58 53.00 1xqf n ASN 40 Cb 0.11 0.26 -0.07 0.00 -0.61 0.00 0.00 39.78 39.47 1xqf n ASN 40 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1xqf h VAL 41 N 2.27 1.29 -0.45 2.41 2.07 -1.45 -2.72 116.25 119.67 1xqf h VAL 41 Ca 0.00 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.54 1xqf h VAL 41 Cb 0.57 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 1xqf h VAL 41 CO 0.00 0.29 0.28 -0.07 0.02 0.00 0.00 177.57 178.09 1xqf h LEU 42 N -0.05 0.46 -0.66 2.57 3.38 -1.85 -1.61 115.31 117.56 1xqf h LEU 42 Ca 0.03 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1xqf h LEU 42 Cb 0.46 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1xqf h LEU 42 CO 0.01 0.33 0.05 -1.28 0.09 0.00 0.00 178.44 177.64 1xqf h SER 43 N 0.56 1.06 -0.54 -0.43 0.87 -1.88 -2.19 113.55 111.00 1xqf h SER 43 Ca 0.18 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 1xqf h SER 43 Cb -0.01 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.64 1xqf h SER 43 CO -0.07 1.08 0.29 -0.03 -0.53 0.00 0.00 176.83 177.57 1xqf h MET 44 N 1.01 0.76 -0.78 2.24 1.85 -1.23 -1.54 114.93 117.24 1xqf h MET 44 Ca 0.19 -0.09 -0.03 0.00 -0.61 0.00 0.00 59.70 59.16 1xqf h MET 44 Cb 0.51 -0.15 -0.04 0.00 0.43 0.00 0.00 31.60 32.35 1xqf h MET 44 CO 0.02 0.60 0.39 -0.07 -0.40 0.00 0.00 176.91 177.44 1xqf h LEU 45 N 0.72 1.00 -0.01 3.39 3.38 -1.13 -1.17 115.31 121.49 1xqf h LEU 45 Ca 0.19 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1xqf h LEU 45 Cb 0.06 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1xqf h LEU 45 CO -0.03 0.83 0.00 0.74 0.09 0.00 0.00 178.44 180.08 1xqf h THR 46 N 1.10 1.13 -0.65 0.22 2.02 -1.23 -2.34 112.91 113.17 1xqf h THR 46 Ca 0.27 -0.38 0.05 0.00 0.77 0.00 0.00 66.41 67.11 1xqf h THR 46 Cb 0.09 1.37 -0.05 0.00 -1.74 0.00 0.00 68.15 67.82 1xqf h THR 46 CO -0.04 0.10 0.37 1.56 0.37 0.00 0.00 175.52 177.89 1xqf h GLN 47 N -0.14 0.69 -0.69 6.66 4.20 -1.07 -1.31 115.11 123.44 1xqf h GLN 47 Ca 0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1xqf h GLN 47 Cb 0.16 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1xqf h GLN 47 CO -0.00 0.45 0.41 0.28 -0.67 0.00 0.00 178.83 179.30 1xqf h VAL 48 N 0.71 1.20 -0.21 -0.54 2.07 -1.20 -2.08 116.25 116.20 1xqf h VAL 48 Ca 0.28 -0.47 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 1xqf h VAL 48 Cb 0.12 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1xqf h VAL 48 CO -0.15 0.21 -0.09 0.74 0.02 0.00 0.00 177.57 178.31 1xqf h THR 49 N 0.94 1.30 -0.44 2.57 2.02 -1.15 -2.27 112.91 115.88 1xqf h THR 49 Ca 0.25 -1.13 -0.10 0.00 0.77 0.00 0.00 66.41 66.20 1xqf h THR 49 Cb -0.01 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1xqf h THR 49 CO -0.04 0.34 -0.09 0.58 0.37 0.00 0.00 175.52 176.68 1xqf h VAL 50 N 0.13 1.27 -0.10 3.16 2.07 -1.24 -2.66 116.25 118.88 1xqf h VAL 50 Ca 0.05 -1.20 -0.13 0.00 0.82 0.00 0.00 66.70 66.24 1xqf h VAL 50 Cb 0.57 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1xqf h VAL 50 CO 0.03 0.41 -0.50 0.71 0.02 0.00 0.00 177.57 178.23 1xqf h THR 51 N 0.68 1.34 -0.15 2.57 1.35 -1.44 -1.82 112.91 115.45 1xqf h THR 51 Ca 0.11 -1.74 0.03 0.00 -0.55 0.00 0.00 66.41 64.27 1xqf h THR 51 Cb 0.63 1.82 -0.03 0.00 -1.73 0.00 0.00 68.15 68.84 1xqf h THR 51 CO 0.04 0.52 -0.06 0.15 -0.25 0.00 0.00 175.52 175.92 1xqf h PHE 52 N 0.22 -0.15 -0.51 4.73 3.57 -1.34 -1.04 116.94 122.41 1xqf h PHE 52 Ca 0.01 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.58 1xqf h PHE 52 Cb 0.96 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.74 1xqf h PHE 52 CO 0.02 -0.10 0.23 0.00 -2.23 0.00 0.00 178.31 176.23 1xqf h ALA 53 N 1.10 0.65 -0.66 2.41 0.00 -1.30 -1.97 119.26 119.49 1xqf h ALA 53 Ca 0.08 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1xqf h ALA 53 Cb 0.16 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1xqf h ALA 53 CO -0.18 -0.14 0.39 1.25 0.00 0.00 0.00 179.25 180.57 1xqf h LEU 54 N 0.45 0.61 -0.39 0.00 5.85 -1.00 -2.49 115.31 118.34 1xqf h LEU 54 Ca 0.24 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.92 1xqf h LEU 54 Cb 0.19 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1xqf h LEU 54 CO -0.20 0.41 0.05 0.58 -0.34 0.00 0.00 178.44 178.95 1xqf h VAL 55 N 0.74 1.24 -0.76 1.05 2.07 -0.89 -1.54 116.25 118.16 1xqf h VAL 55 Ca 0.28 -0.89 0.11 0.00 0.82 0.00 0.00 66.70 67.02 1xqf h VAL 55 Cb 0.09 1.07 -0.08 0.00 -1.52 0.00 0.00 31.29 30.86 1xqf h VAL 55 CO -0.14 0.30 0.37 0.00 0.02 0.00 0.00 177.57 178.13 1xqf h ILE 57 N 0.60 1.32 -0.74 0.00 1.08 -1.25 -3.13 117.51 115.39 1xqf h ILE 57 Ca 0.39 -1.25 0.10 0.00 -0.39 0.00 0.00 64.86 63.71 1xqf h ILE 57 Cb 0.47 2.14 -0.05 0.00 -3.07 0.00 0.00 36.82 36.31 1xqf h ILE 57 CO -0.31 0.31 0.48 -0.07 -0.69 0.00 0.00 178.15 177.88 1xqf h LEU 58 N -0.61 0.58 -0.31 1.44 3.38 -1.15 -1.54 115.31 117.09 1xqf h LEU 58 Ca -0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1xqf h LEU 58 Cb 0.55 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1xqf h LEU 58 CO 0.01 0.35 0.15 -0.25 0.09 0.00 0.00 178.44 178.78 1xqf h TRP 59 N 0.64 0.45 -0.11 1.13 2.91 -1.19 -1.11 115.95 118.67 1xqf h TRP 59 Ca 0.34 -0.02 -0.23 0.00 1.13 0.00 0.00 58.89 60.11 1xqf h TRP 59 Cb 0.47 -0.14 0.01 0.00 -0.51 0.00 0.00 29.16 28.98 1xqf h TRP 59 CO -0.00 0.40 -0.82 0.28 -1.03 0.00 0.00 178.44 177.27 1xqf h VAL 60 N 0.37 1.30 -0.05 2.65 2.07 -1.41 0.31 116.25 121.49 1xqf h VAL 60 Ca 0.11 -2.07 -0.00 0.00 0.82 0.00 0.00 66.70 65.56 1xqf h VAL 60 Cb 0.12 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1xqf h VAL 60 CO -0.01 0.65 0.03 0.58 0.02 0.00 0.00 177.57 178.83 1xqf h VAL 61 N 0.46 1.06 0.00 2.57 2.07 -1.24 -2.86 116.25 118.31 1xqf h VAL 61 Ca -0.06 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1xqf h VAL 61 Cb 1.45 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1xqf h VAL 61 CO 0.16 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.81 1xqf n TYR 62 N -5.02 0.00 0.26 1.57 0.18 -0.83 -1.94 117.16 111.38 1xqf n TYR 62 Ca -0.06 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.56 1xqf n TYR 62 Cb 0.06 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 38.94 1xqf n TYR 62 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 1xqf h GLY 63 N 0.00 -0.62 0.60 -7.48 0.00 -0.37 -2.51 103.07 92.68 1xqf h GLY 63 Ca 0.00 0.23 0.08 0.00 0.00 0.00 0.00 47.33 47.64 1xqf h GLY 63 CO 0.00 -0.22 0.42 -1.82 0.00 0.00 0.00 176.54 174.92 1xqf h TYR 64 N -0.59 0.77 -0.39 5.60 3.20 -1.24 -1.83 116.97 122.48 1xqf h TYR 64 Ca -0.06 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.84 1xqf h TYR 64 Cb 0.45 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 1xqf h TYR 64 CO -0.05 0.34 0.26 1.03 -1.64 0.00 0.00 178.16 178.10 1xqf h SER 65 N 0.75 0.44 1.82 -2.11 0.87 -1.76 0.43 113.55 113.99 1xqf h SER 65 Ca 0.35 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.87 1xqf h SER 65 Cb 0.27 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1xqf h SER 65 CO -0.22 0.32 -0.14 -0.07 -0.53 0.00 0.00 176.83 176.19 1xqf h LEU 66 N 0.52 0.00 0.13 2.23 3.38 -1.32 -1.02 115.31 119.23 1xqf h LEU 66 Ca 0.15 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.87 1xqf h LEU 66 Cb -0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.70 1xqf h LEU 66 CO -0.04 0.14 -1.19 0.00 0.09 0.00 0.00 178.44 177.45 1xqf h ALA 67 N 1.86 0.06 -0.00 1.53 0.00 -1.20 1.00 119.26 122.51 1xqf h ALA 67 Ca -0.00 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1xqf h ALA 67 Cb 1.09 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1xqf h ALA 67 CO 0.02 0.65 -0.22 1.19 0.00 0.00 0.00 179.25 180.89 1xqf n PHE 68 N -4.00 0.00 -1.39 0.00 3.72 0.13 -3.96 117.46 111.96 1xqf n PHE 68 Ca -0.21 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 56.89 1xqf n PHE 68 Cb 0.88 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 39.51 1xqf n PHE 68 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1xqf s GLY 69 N -1.38 1.64 -0.07 1.37 0.00 -0.39 -5.00 107.32 103.49 1xqf s GLY 69 Ca 0.03 0.01 -0.28 0.00 0.00 0.00 0.00 44.72 44.48 1xqf s GLY 69 CO 0.20 0.41 0.89 1.85 0.00 0.00 0.00 173.10 176.45 1xqf s GLU 70 N -5.01 4.46 0.00 2.90 2.12 -1.26 -4.29 118.70 117.62 1xqf s GLU 70 Ca 0.61 1.22 0.00 0.00 0.36 0.00 0.00 54.97 57.16 1xqf s GLU 70 Cb -0.16 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 30.74 1xqf s GLU 70 CO 0.56 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.56 1xqf n GLY 71 N 3.08 2.43 0.00 -1.50 0.00 -1.26 -4.18 105.19 103.77 1xqf n GLY 71 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1xqf n GLY 71 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xqf n ASN 72 N 0.00 1.71 0.27 1.61 0.23 -0.18 -5.00 115.26 113.90 1xqf n ASN 72 Ca 0.00 0.00 0.16 0.00 -0.53 0.00 0.00 54.58 54.21 1xqf n ASN 72 Cb 0.00 0.00 0.67 0.00 -2.08 0.00 0.00 39.78 38.37 1xqf n ASN 72 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1xqf h ASN 73 N 0.00 0.00 0.00 0.53 2.35 -1.94 -3.37 115.58 113.15 1xqf h ASN 73 Ca 0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 1xqf h ASN 73 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1xqf h ASN 73 CO 0.00 0.06 -1.48 0.49 -1.65 0.00 0.00 177.43 174.84 1xqf n PHE 74 N -3.19 0.00 -4.05 1.19 3.72 -1.26 -1.79 117.46 112.08 1xqf n PHE 74 Ca 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.32 1xqf n PHE 74 Cb 0.31 -0.34 -0.09 0.00 -0.94 0.00 0.00 39.48 38.43 1xqf n PHE 74 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 1xqf s PHE 75 N -2.17 0.53 0.00 1.38 -0.12 -1.26 -4.42 117.98 111.91 1xqf s PHE 75 Ca -0.08 -0.98 0.00 0.00 -0.05 0.00 0.00 56.93 55.82 1xqf s PHE 75 Cb 0.03 -0.31 0.00 0.00 -0.63 0.00 0.00 43.02 42.10 1xqf s PHE 75 CO 0.24 -0.49 0.00 0.41 -0.05 0.00 0.00 175.22 175.33 1xqf n GLY 76 N -0.01 0.80 2.85 1.99 0.00 0.34 -1.01 105.19 110.14 1xqf n GLY 76 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 1xqf n GLY 76 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xqf n ASN 77 N 0.00 -1.12 -1.17 1.61 0.23 -1.17 -4.10 115.26 109.54 1xqf n ASN 77 Ca 0.00 -2.63 -0.04 0.00 -0.53 0.00 0.00 54.58 51.38 1xqf n ASN 77 Cb 0.00 2.11 0.21 0.00 -2.08 0.00 0.00 39.78 40.01 1xqf n ASN 77 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 1xqf n ILE 78 N -0.50 2.55 0.43 1.53 -5.35 -1.26 -2.91 119.36 113.85 1xqf n ILE 78 Ca 0.01 -2.61 0.13 0.00 -0.27 0.00 0.00 62.75 60.01 1xqf n ILE 78 Cb 0.50 -0.32 0.36 0.00 -1.74 0.00 0.00 39.64 38.44 1xqf n ILE 78 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 1xqf h ASN 79 N 1.09 0.00 -0.53 7.28 -0.26 -1.95 -3.33 115.58 117.87 1xqf h ASN 79 Ca 0.21 0.00 -0.36 0.00 -0.56 0.00 0.00 56.30 55.59 1xqf h ASN 79 Cb 1.69 0.00 -0.24 0.00 -1.06 0.00 0.00 38.32 38.70 1xqf h ASN 79 CO 0.40 0.00 -0.34 0.79 -1.06 0.00 0.00 177.43 177.22 1xqf n TRP 80 N -2.62 1.84 -1.97 1.19 8.01 -1.26 -4.66 117.44 117.96 1xqf n TRP 80 Ca 0.04 -2.02 -0.42 0.00 -1.31 0.00 0.00 57.50 53.80 1xqf n TRP 80 Cb 0.43 -0.51 -0.03 0.00 -2.01 0.00 0.00 31.31 29.19 1xqf n TRP 80 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1xqf s LEU 81 N -3.46 4.36 -1.26 -0.99 1.02 -1.25 -1.68 118.68 115.41 1xqf s LEU 81 Ca 0.49 2.47 -0.01 0.00 0.02 0.00 0.00 54.13 57.10 1xqf s LEU 81 Cb 0.41 -3.57 0.01 0.00 0.02 0.00 0.00 46.19 43.06 1xqf s LEU 81 CO 0.00 -0.84 0.08 0.23 0.02 0.00 0.00 176.35 175.84 1xqf n MET 82 N 5.04 -2.37 -1.79 1.70 2.81 -0.82 -1.99 117.12 119.70 1xqf n MET 82 Ca 0.15 0.69 -0.19 0.00 -1.81 0.00 0.00 57.70 56.54 1xqf n MET 82 Cb 0.40 -5.33 -0.06 0.00 -0.71 0.00 0.00 33.22 27.52 1xqf n MET 82 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1xqf n LEU 83 N -3.00 -1.54 -4.75 4.03 4.77 -0.68 -4.99 117.00 110.85 1xqf n LEU 83 Ca -0.16 0.33 -0.39 0.00 -0.03 0.00 0.00 56.01 55.77 1xqf n LEU 83 Cb 0.62 -2.69 0.03 0.00 -2.33 0.00 0.00 43.42 39.05 1xqf n LEU 83 CO 0.24 -0.77 1.01 -0.75 -1.33 0.00 0.00 177.39 175.79 1xqf s LYS 84 N -4.01 3.31 0.00 3.23 2.20 -0.84 -2.82 119.74 120.80 1xqf s LYS 84 Ca 0.00 2.29 0.00 0.00 -0.36 0.00 0.00 55.97 57.90 1xqf s LYS 84 Cb 0.00 -2.38 0.00 0.00 -1.51 0.00 0.00 37.83 33.94 1xqf s LYS 84 CO 0.00 -1.08 0.00 0.09 -0.36 0.00 0.00 175.35 174.00 1xqf n ASN 85 N -0.77 -3.57 -4.35 1.43 3.02 -1.26 -4.38 115.26 105.37 1xqf n ASN 85 Ca 0.09 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.21 1xqf n ASN 85 Cb 0.44 -1.63 -0.09 0.00 -0.61 0.00 0.00 39.78 37.89 1xqf n ASN 85 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xqf s ILE 86 N -1.77 4.80 0.47 2.41 1.01 -1.13 -5.08 121.20 121.91 1xqf s ILE 86 Ca 0.00 -1.11 -0.24 0.00 0.00 0.00 0.00 60.65 59.30 1xqf s ILE 86 Cb 0.00 -3.84 -0.07 0.00 0.01 0.00 0.00 42.46 38.55 1xqf s ILE 86 CO 0.00 -0.48 1.34 -1.61 0.00 0.00 0.00 174.94 174.19 1xqf s GLU 87 N 1.56 3.62 0.48 2.79 0.41 -1.26 -4.91 118.70 121.39 1xqf s GLU 87 Ca 0.03 2.21 0.15 0.00 -0.41 0.00 0.00 54.97 56.96 1xqf s GLU 87 Cb -0.23 -2.54 1.15 0.00 -1.78 0.00 0.00 34.13 30.74 1xqf s GLU 87 CO 0.05 -0.80 2.08 1.25 -0.49 0.00 0.00 175.26 177.35 1xqf h LEU 88 N 2.15 0.17 -1.52 1.80 5.85 -1.98 -1.45 115.31 120.33 1xqf h LEU 88 Ca -0.50 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1xqf h LEU 88 Cb 1.27 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1xqf h LEU 88 CO 0.60 0.12 0.00 0.35 -0.34 0.00 0.00 178.44 179.17 1xqf n THR 89 N -4.49 0.45 -2.01 1.05 -2.24 -1.26 -4.79 114.28 100.99 1xqf n THR 89 Ca 0.03 -0.52 -0.41 0.00 -2.27 0.00 0.00 64.05 60.87 1xqf n THR 89 Cb 0.21 0.39 -0.02 0.00 -2.10 0.00 0.00 70.33 68.82 1xqf n THR 89 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xqf s ALA 90 N -1.55 3.57 -0.10 6.98 0.00 -0.55 -4.92 121.76 125.18 1xqf s ALA 90 Ca 0.31 1.35 -0.02 0.00 0.00 0.00 0.00 51.96 53.60 1xqf s ALA 90 Cb 0.17 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 1xqf s ALA 90 CO 0.23 -0.76 -0.02 0.08 0.00 0.00 0.00 175.76 175.29 1xqf s VAL 91 N -0.65 4.08 -0.20 0.00 1.01 -1.26 -0.52 120.40 122.86 1xqf s VAL 91 Ca 0.54 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.21 1xqf s VAL 91 Cb -0.42 -2.73 0.04 0.00 0.00 0.00 0.00 36.38 33.27 1xqf s VAL 91 CO 0.51 0.57 -0.12 -0.32 0.00 0.00 0.00 175.10 175.74 1xqf s MET 92 N -0.51 2.21 6.47 2.72 0.00 0.19 -4.77 119.30 125.61 1xqf s MET 92 Ca 0.08 -0.91 0.00 0.00 0.00 0.00 0.00 55.69 54.86 1xqf s MET 92 Cb -0.12 -2.50 0.00 0.00 0.00 0.00 0.00 34.83 32.21 1xqf s MET 92 CO 0.02 -0.41 0.00 0.41 0.00 0.00 0.00 175.02 175.04 1xqf n GLY 93 N 4.64 1.91 0.08 2.11 0.00 -1.26 -2.58 105.19 110.10 1xqf n GLY 93 Ca -0.16 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 45.92 1xqf n GLY 93 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xqf n SER 94 N 10.44 2.14 -4.29 1.61 3.41 -1.26 -4.88 113.62 120.80 1xqf n SER 94 Ca 0.00 -2.84 -0.15 0.00 -0.26 0.00 0.00 58.87 55.62 1xqf n SER 94 Cb 0.00 -0.35 -0.10 0.00 -0.26 0.00 0.00 64.21 63.50 1xqf n SER 94 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1xqf s ILE 95 N -2.40 1.00 0.27 -1.33 -4.36 -1.06 -1.79 121.20 111.53 1xqf s ILE 95 Ca 0.25 -2.03 -0.30 0.00 -0.26 0.00 0.00 60.65 58.31 1xqf s ILE 95 Cb 0.22 -2.14 -0.11 0.00 1.25 0.00 0.00 42.46 41.69 1xqf s ILE 95 CO 0.02 -0.49 1.49 -0.31 0.24 0.00 0.00 174.94 175.90 1xqf s TYR 96 N -3.44 2.91 0.37 1.37 2.02 -1.26 -0.64 117.35 118.67 1xqf s TYR 96 Ca 0.24 0.95 0.07 0.00 -0.37 0.00 0.00 57.07 57.96 1xqf s TYR 96 Cb 0.05 -3.91 0.78 0.00 -0.40 0.00 0.00 41.96 38.48 1xqf s TYR 96 CO 0.05 -2.99 1.94 0.37 -1.57 0.00 0.00 175.55 173.35 1xqf h GLN 97 N 4.84 0.69 -0.88 -0.62 4.15 -1.10 -0.84 115.11 121.34 1xqf h GLN 97 Ca -0.47 -0.04 0.19 0.00 0.77 0.00 0.00 58.65 59.10 1xqf h GLN 97 Cb 1.22 -0.16 -0.07 0.00 0.21 0.00 0.00 27.48 28.69 1xqf h GLN 97 CO 0.77 0.46 0.58 1.88 -1.93 0.00 0.00 178.83 180.59 1xqf h TYR 98 N 0.71 0.59 -0.30 3.99 -1.99 -1.87 -0.87 116.97 117.23 1xqf h TYR 98 Ca 0.33 0.02 -0.16 0.00 2.00 0.00 0.00 58.73 60.92 1xqf h TYR 98 Cb 0.38 -0.18 -0.00 0.00 2.00 0.00 0.00 36.73 38.92 1xqf h TYR 98 CO -0.00 0.17 -0.44 0.82 -0.00 0.00 0.00 178.16 178.71 1xqf h ILE 99 N 0.46 1.28 -0.76 -2.88 2.04 -1.53 -2.60 117.51 113.53 1xqf h ILE 99 Ca 0.46 -1.63 0.04 0.00 1.00 0.00 0.00 64.86 64.73 1xqf h ILE 99 Cb 1.05 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 38.67 1xqf h ILE 99 CO -0.18 0.53 0.48 -0.74 0.00 0.00 0.00 178.15 178.24 1xqf h HIS 100 N 0.61 0.90 -0.35 1.37 2.76 -1.23 -1.09 115.15 118.12 1xqf h HIS 100 Ca 0.03 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.28 1xqf h HIS 100 Cb 1.04 -0.29 -0.05 0.00 1.55 0.00 0.00 27.41 29.66 1xqf h HIS 100 CO 0.07 0.51 0.05 0.28 -1.30 0.00 0.00 177.93 177.54 1xqf h VAL 101 N 0.93 0.81 -0.29 5.26 2.07 -1.11 -2.06 116.25 121.86 1xqf h VAL 101 Ca 0.31 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.71 1xqf h VAL 101 Cb 0.04 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1xqf h VAL 101 CO -0.12 0.03 -0.07 0.00 0.02 0.00 0.00 177.57 177.43 1xqf h ALA 102 N 1.27 0.40 0.11 1.67 0.00 -1.13 -1.82 119.26 119.76 1xqf h ALA 102 Ca 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xqf h ALA 102 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1xqf h ALA 102 CO -0.23 0.22 -0.11 0.35 0.00 0.00 0.00 179.25 179.48 1xqf h PHE 103 N 0.33 -0.30 -0.26 0.00 3.57 -1.14 -2.12 116.94 117.03 1xqf h PHE 103 Ca 0.07 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 1xqf h PHE 103 Cb 0.55 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 1xqf h PHE 103 CO 0.05 -0.18 -0.14 1.96 -2.23 0.00 0.00 178.31 177.77 1xqf h GLN 104 N -0.25 0.45 -1.01 1.11 1.08 -1.40 -2.59 115.11 112.50 1xqf h GLN 104 Ca 0.01 -0.13 0.01 0.00 -1.45 0.00 0.00 58.65 57.09 1xqf h GLN 104 Cb 0.25 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.58 1xqf h GLN 104 CO -0.04 0.58 0.67 0.78 -0.95 0.00 0.00 178.83 179.88 1xqf h GLY 105 N 0.91 1.42 1.73 3.46 0.00 -1.16 -2.83 103.07 106.60 1xqf h GLY 105 Ca 0.08 -0.53 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 1xqf h GLY 105 CO 0.03 0.51 -0.08 1.48 0.00 0.00 0.00 176.54 178.48 1xqf h SER 106 N 1.36 0.32 -0.59 0.19 4.64 -0.98 -2.25 113.55 116.25 1xqf h SER 106 Ca 0.37 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.59 1xqf h SER 106 Cb -0.15 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 61.84 1xqf h SER 106 CO -0.08 0.44 0.22 -0.26 -0.87 0.00 0.00 176.83 176.28 1xqf h PHE 107 N 0.33 0.91 -0.83 4.77 -1.00 -1.41 -2.56 116.94 117.14 1xqf h PHE 107 Ca 0.07 -0.07 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 1xqf h PHE 107 Cb 0.36 -0.27 -0.04 0.00 3.61 0.00 0.00 35.95 39.61 1xqf h PHE 107 CO 0.01 0.74 0.42 0.00 -1.61 0.00 0.00 178.31 177.87 1xqf h ALA 108 N 1.07 1.17 -0.28 2.45 0.00 -1.26 -2.60 119.26 119.82 1xqf h ALA 108 Ca 0.19 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xqf h ALA 108 Cb 0.22 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1xqf h ALA 108 CO -0.01 0.64 0.15 0.00 0.00 0.00 0.00 179.25 180.03 1xqf h ILE 110 N 0.33 1.30 -0.29 0.00 6.09 -1.41 -1.48 117.51 122.05 1xqf h ILE 110 Ca 0.10 -1.53 0.01 0.00 -1.37 0.00 0.00 64.86 62.07 1xqf h ILE 110 Cb 0.06 1.53 -0.02 0.00 0.47 0.00 0.00 36.82 38.86 1xqf h ILE 110 CO -0.02 0.48 0.16 0.74 -3.07 0.00 0.00 178.15 176.45 1xqf h THR 111 N 0.45 1.02 -0.46 2.19 2.02 -1.39 -2.03 112.91 114.71 1xqf h THR 111 Ca 0.04 -0.11 -0.12 0.00 0.77 0.00 0.00 66.41 66.99 1xqf h THR 111 Cb 0.87 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1xqf h THR 111 CO 0.07 0.06 -0.19 0.58 0.37 0.00 0.00 175.52 176.41 1xqf h VAL 112 N 0.33 1.27 -0.98 3.16 2.07 -1.36 -3.08 116.25 117.66 1xqf h VAL 112 Ca 0.11 -1.33 0.08 0.00 0.82 0.00 0.00 66.70 66.38 1xqf h VAL 112 Cb 0.01 1.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 1xqf h VAL 112 CO -0.06 0.46 0.62 1.23 0.02 0.00 0.00 177.57 179.84 1xqf h GLY 113 N 0.93 1.52 0.66 2.17 0.00 -1.04 -1.24 103.07 106.07 1xqf h GLY 113 Ca 0.11 -0.45 0.06 0.00 0.00 0.00 0.00 47.33 47.05 1xqf h GLY 113 CO 0.06 0.28 0.29 1.41 0.00 0.00 0.00 176.54 178.57 1xqf h LEU 114 N 1.09 0.41 -0.05 3.11 3.38 -1.28 -1.76 115.31 120.21 1xqf h LEU 114 Ca 0.44 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.41 1xqf h LEU 114 Cb 0.25 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1xqf h LEU 114 CO -0.20 0.27 -0.10 0.40 0.09 0.00 0.00 178.44 178.90 1xqf h ILE 115 N 0.55 1.42 -0.41 1.22 2.04 -1.45 -3.32 117.51 117.56 1xqf h ILE 115 Ca 0.26 -1.42 -0.14 0.00 1.00 0.00 0.00 64.86 64.56 1xqf h ILE 115 Cb 0.19 2.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 1xqf h ILE 115 CO -0.19 0.39 -0.32 0.58 0.00 0.00 0.00 178.15 178.61 1xqf h VAL 116 N -0.35 1.27 -0.61 1.67 2.07 -1.18 -3.05 116.25 116.07 1xqf h VAL 116 Ca 0.00 -1.48 0.06 0.00 0.82 0.00 0.00 66.70 66.10 1xqf h VAL 116 Cb 0.68 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.69 1xqf h VAL 116 CO 0.02 0.50 0.32 1.23 0.02 0.00 0.00 177.57 179.66 1xqf h GLY 117 N 0.86 0.88 1.43 2.17 0.00 -1.46 -1.95 103.07 105.00 1xqf h GLY 117 Ca 0.08 -0.22 -0.18 0.00 0.00 0.00 0.00 47.33 47.02 1xqf h GLY 117 CO 0.08 0.12 -0.62 0.00 0.00 0.00 0.00 176.54 176.12 1xqf h ALA 118 N 1.33 0.60 -0.17 3.60 0.00 -1.64 -3.33 119.26 119.65 1xqf h ALA 118 Ca 0.28 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1xqf h ALA 118 Cb 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1xqf h ALA 118 CO -0.19 0.71 0.00 1.28 0.00 0.00 0.00 179.25 181.04 1xqf n LEU 119 N -3.93 3.17 0.01 0.00 4.77 -1.16 -4.53 117.00 115.34 1xqf n LEU 119 Ca -0.04 -1.20 0.03 0.00 -0.03 0.00 0.00 56.01 54.77 1xqf n LEU 119 Cb 0.65 -0.10 0.39 0.00 -2.33 0.00 0.00 43.42 42.04 1xqf n LEU 119 CO 0.48 0.59 1.08 0.00 -1.33 0.00 0.00 177.39 178.22 1xqf h ALA 120 N 4.57 1.61 -0.97 -1.18 0.00 -1.46 -2.21 119.26 119.62 1xqf h ALA 120 Ca 0.00 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 54.92 1xqf h ALA 120 Cb 0.99 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 1xqf h ALA 120 CO 0.00 0.31 0.62 0.93 0.00 0.00 0.00 179.25 181.12 1xqf h GLU 121 N 0.51 0.99 0.00 0.00 5.08 -1.84 -3.31 114.58 116.01 1xqf h GLU 121 Ca 0.13 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 1xqf h GLU 121 Cb 0.07 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1xqf h GLU 121 CO -0.02 0.66 -2.08 0.54 -1.00 0.00 0.00 179.01 177.11 1xqf n ARG 122 N -4.55 0.67 -4.28 2.33 1.74 -0.87 -4.93 116.66 106.76 1xqf n ARG 122 Ca 0.17 -0.16 -0.34 0.00 -0.77 0.00 0.00 57.85 56.75 1xqf n ARG 122 Cb 0.29 -1.52 -0.09 0.00 -1.02 0.00 0.00 32.46 30.12 1xqf n ARG 122 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1xqf s ILE 123 N -3.30 4.43 0.53 0.55 2.07 -0.99 -3.20 121.20 121.29 1xqf s ILE 123 Ca -0.08 -0.30 -0.22 0.00 -1.41 0.00 0.00 60.65 58.64 1xqf s ILE 123 Cb 0.12 -2.91 -0.05 0.00 0.13 0.00 0.00 42.46 39.75 1xqf s ILE 123 CO 0.89 0.53 1.29 -0.60 -1.91 0.00 0.00 174.94 175.14 1xqf s ARG 124 N -1.13 3.29 0.09 3.50 3.52 -0.51 -4.73 118.95 122.99 1xqf s ARG 124 Ca 0.16 2.07 -0.23 0.00 -0.13 0.00 0.00 55.73 57.60 1xqf s ARG 124 Cb -0.11 -2.27 -0.14 0.00 -1.56 0.00 0.00 34.95 30.87 1xqf s ARG 124 CO 0.05 -1.02 1.74 0.35 -0.81 0.00 0.00 175.30 175.62 1xqf h PHE 125 N 1.56 0.00 -0.23 5.12 3.04 -1.94 -2.01 116.94 122.49 1xqf h PHE 125 Ca -0.50 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.41 1xqf h PHE 125 Cb 1.29 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.78 1xqf h PHE 125 CO 0.48 0.00 -0.04 0.66 -2.02 0.00 0.00 178.31 177.39 1xqf h SER 126 N 0.01 0.32 -0.47 0.41 4.64 -1.95 -2.64 113.55 113.87 1xqf h SER 126 Ca 0.01 -0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 61.16 1xqf h SER 126 Cb 0.01 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 1xqf h SER 126 CO -0.01 0.41 -0.15 0.00 -0.87 0.00 0.00 176.83 176.21 1xqf h ALA 127 N 1.63 0.78 -0.41 5.18 0.00 -1.75 -2.81 119.26 121.88 1xqf h ALA 127 Ca 0.07 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1xqf h ALA 127 Cb 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1xqf h ALA 127 CO 0.01 0.66 -0.08 -0.24 0.00 0.00 0.00 179.25 179.60 1xqf h VAL 128 N 0.85 1.25 -0.36 0.00 3.04 -1.02 -2.03 116.25 117.98 1xqf h VAL 128 Ca 0.13 -1.08 -0.03 0.00 -1.01 0.00 0.00 66.70 64.70 1xqf h VAL 128 Cb 0.71 1.03 -0.02 0.00 -2.01 0.00 0.00 31.29 31.00 1xqf h VAL 128 CO 0.05 0.37 0.12 -0.07 -1.01 0.00 0.00 177.57 177.03 1xqf h LEU 129 N 0.64 0.51 -0.16 3.16 3.38 -1.45 -1.57 115.31 119.84 1xqf h LEU 129 Ca 0.12 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1xqf h LEU 129 Cb 0.53 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1xqf h LEU 129 CO 0.03 0.57 0.08 0.40 0.09 0.00 0.00 178.44 179.61 1xqf h ILE 130 N 0.43 1.01 -0.50 1.22 2.04 -1.41 -2.71 117.51 117.59 1xqf h ILE 130 Ca 0.12 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1xqf h ILE 130 Cb 0.23 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 1xqf h ILE 130 CO -0.01 0.03 0.27 0.15 0.00 0.00 0.00 178.15 178.59 1xqf h PHE 131 N 0.18 0.49 -0.51 1.37 3.57 -1.22 -2.32 116.94 118.49 1xqf h PHE 131 Ca 0.06 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1xqf h PHE 131 Cb 0.00 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 1xqf h PHE 131 CO -0.09 0.26 0.33 0.28 -2.23 0.00 0.00 178.31 176.86 1xqf h VAL 132 N 0.53 1.14 -0.20 1.41 2.07 -1.20 0.04 116.25 120.03 1xqf h VAL 132 Ca 0.21 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1xqf h VAL 132 Cb 0.09 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1xqf h VAL 132 CO -0.13 0.14 0.06 0.58 0.02 0.00 0.00 177.57 178.23 1xqf h VAL 133 N 0.69 0.94 0.00 2.57 2.07 -1.27 -0.82 116.25 120.43 1xqf h VAL 133 Ca 0.18 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.65 1xqf h VAL 133 Cb -0.06 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1xqf h VAL 133 CO -0.04 0.03 -0.00 0.58 0.02 0.00 0.00 177.57 178.16 1xqf h VAL 134 N 0.15 1.16 -0.14 2.57 2.07 -1.22 -2.95 116.25 117.89 1xqf h VAL 134 Ca 0.09 -0.48 -0.20 0.00 0.82 0.00 0.00 66.70 66.92 1xqf h VAL 134 Cb 0.06 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1xqf h VAL 134 CO -0.10 0.13 -0.72 -0.25 0.02 0.00 0.00 177.57 176.65 1xqf h TRP 135 N -0.21 0.86 -0.41 1.57 7.01 -0.95 -1.45 115.95 122.37 1xqf h TRP 135 Ca -0.00 -0.37 -0.02 0.00 2.11 0.00 0.00 58.89 60.62 1xqf h TRP 135 Cb 0.21 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.11 1xqf h TRP 135 CO -0.01 1.16 0.18 1.25 -2.79 0.00 0.00 178.44 178.24 1xqf h LEU 136 N 0.45 0.55 -0.25 0.65 5.85 -1.26 0.45 115.31 121.75 1xqf h LEU 136 Ca -0.03 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.43 1xqf h LEU 136 Cb 1.32 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1xqf h LEU 136 CO 0.14 0.54 -0.28 0.74 -0.34 0.00 0.00 178.44 179.24 1xqf h THR 137 N 0.52 1.31 0.00 1.05 2.02 -1.48 -2.13 112.91 114.20 1xqf h THR 137 Ca 0.14 -1.46 0.00 0.00 0.77 0.00 0.00 66.41 65.86 1xqf h THR 137 Cb 0.15 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1xqf h THR 137 CO -0.01 0.46 -0.98 0.18 0.37 0.00 0.00 175.52 175.53 1xqf n LEU 138 N -4.30 0.78 0.02 2.58 4.77 -0.55 -4.44 117.00 115.85 1xqf n LEU 138 Ca -0.04 -0.44 -0.01 0.00 -0.03 0.00 0.00 56.01 55.48 1xqf n LEU 138 Cb 0.47 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1xqf n LEU 138 CO 0.44 0.19 -0.25 -0.24 -1.33 0.00 0.00 177.39 176.21 1xqf n SER 139 N -1.52 0.77 0.10 -1.43 2.88 0.10 -4.67 113.62 109.85 1xqf n SER 139 Ca 0.03 0.10 -0.13 0.00 -1.33 0.00 0.00 58.87 57.54 1xqf n SER 139 Cb 0.31 -0.24 -0.07 0.00 -0.75 0.00 0.00 64.21 63.46 1xqf n SER 139 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1xqf h TYR 140 N -0.07 -0.21 0.26 0.66 3.20 -1.37 -2.63 116.97 116.82 1xqf h TYR 140 Ca -0.02 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1xqf h TYR 140 Cb 0.45 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1xqf h TYR 140 CO -0.02 -0.13 -0.18 0.82 -1.64 0.00 0.00 178.16 177.01 1xqf h ILE 141 N -0.21 0.62 -0.64 1.81 2.04 -1.60 -1.20 117.51 118.34 1xqf h ILE 141 Ca -0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.86 1xqf h ILE 141 Cb 0.18 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1xqf h ILE 141 CO 0.01 0.00 0.43 -0.65 0.00 0.00 0.00 178.15 177.93 1xqf h PRO 142 N -0.44 0.85 -0.56 2.37 0.11 -1.77 -0.59 132.00 131.97 1xqf h PRO 142 Ca -0.02 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.98 1xqf h PRO 142 Cb 0.37 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 1xqf h PRO 142 CO 0.01 0.56 0.14 0.82 -0.21 0.00 0.00 178.00 179.33 1xqf h ILE 143 N 0.87 1.25 -0.69 4.15 2.04 -1.41 0.35 117.51 124.07 1xqf h ILE 143 Ca 0.24 -0.87 0.04 0.00 1.00 0.00 0.00 64.86 65.26 1xqf h ILE 143 Cb -0.10 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 36.67 1xqf h ILE 143 CO -0.05 0.32 0.42 0.00 0.00 0.00 0.00 178.15 178.84 1xqf h ALA 144 N 1.02 0.91 -0.57 1.87 0.00 -1.10 -1.95 119.26 119.45 1xqf h ALA 144 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1xqf h ALA 144 Cb 0.33 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1xqf h ALA 144 CO 0.00 0.17 0.37 1.25 0.00 0.00 0.00 179.25 181.04 1xqf h HIS 145 N 0.81 0.72 -0.38 0.00 -0.00 -0.65 0.34 115.15 115.98 1xqf h HIS 145 Ca 0.29 0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.62 1xqf h HIS 145 Cb 0.07 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.22 1xqf h HIS 145 CO -0.05 0.46 0.01 0.52 -0.00 0.00 0.00 177.93 178.86 1xqf h MET 146 N 0.77 0.60 0.03 5.26 2.07 -0.62 -1.30 114.93 121.73 1xqf h MET 146 Ca 0.21 -0.13 -0.36 0.00 -2.07 0.00 0.00 59.70 57.34 1xqf h MET 146 Cb -0.08 -0.08 -0.05 0.00 -1.87 0.00 0.00 31.60 29.52 1xqf h MET 146 CO -0.04 0.62 -2.05 0.28 1.07 0.00 0.00 176.91 176.78 1xqf n VAL 147 N -4.26 1.57 0.30 -2.22 0.31 -0.76 -1.35 118.33 111.92 1xqf n VAL 147 Ca 0.02 -0.37 0.03 0.00 -0.01 0.00 0.00 64.34 64.01 1xqf n VAL 147 Cb 0.26 -1.81 -0.01 0.00 -0.91 0.00 0.00 33.84 31.36 1xqf n VAL 147 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 1xqf n TRP 148 N -3.96 0.00 -1.23 3.52 8.01 0.09 -4.31 117.44 119.56 1xqf n TRP 148 Ca -0.42 0.00 0.03 0.00 -1.31 0.00 0.00 57.50 55.80 1xqf n TRP 148 Cb 0.88 0.00 0.22 0.00 -2.01 0.00 0.00 31.31 30.40 1xqf n TRP 148 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1xqf n GLY 149 N 0.89 4.58 2.10 6.99 0.00 -0.57 -4.96 105.19 114.22 1xqf n GLY 149 Ca 0.02 -1.15 -0.04 0.00 0.00 0.00 0.00 46.02 44.86 1xqf n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xqf n GLY 150 N -0.93 0.55 0.00 -0.02 0.00 -1.18 -4.87 105.19 98.74 1xqf n GLY 150 Ca 0.26 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1xqf n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xqf n GLY 151 N -2.11 0.74 0.21 -0.02 0.00 -0.75 -4.70 105.19 98.56 1xqf n GLY 151 Ca -0.04 -1.77 -0.01 0.00 0.00 0.00 0.00 46.02 44.20 1xqf n GLY 151 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xqf h LEU 152 N 0.00 0.08 -0.02 0.99 5.85 -1.42 -1.51 115.31 119.29 1xqf h LEU 152 Ca 0.00 0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 1xqf h LEU 152 Cb 0.00 0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.14 1xqf h LEU 152 CO 0.00 0.06 -0.47 -0.07 -0.34 0.00 0.00 178.44 177.62 1xqf h LEU 153 N 0.30 0.44 -0.84 2.25 3.38 -1.73 -2.98 115.31 116.14 1xqf h LEU 153 Ca 0.28 -0.74 0.12 0.00 0.09 0.00 0.00 57.88 57.63 1xqf h LEU 153 Cb 0.36 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 1xqf h LEU 153 CO -0.33 1.12 0.46 0.00 0.09 0.00 0.00 178.44 179.78 1xqf h ALA 154 N 0.33 1.23 0.00 1.53 0.00 -1.18 -2.17 119.26 119.00 1xqf h ALA 154 Ca -0.05 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1xqf h ALA 154 Cb 1.18 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1xqf h ALA 154 CO 0.09 0.02 -0.02 0.66 0.00 0.00 0.00 179.25 179.99 1xqf h SER 155 N 0.72 0.00 -0.43 0.00 4.64 -1.20 -1.61 113.55 115.67 1xqf h SER 155 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1xqf h SER 155 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1xqf h SER 155 CO -0.30 0.02 0.00 1.41 -0.87 0.00 0.00 176.83 177.10 1xqf n HIS 156 N -3.22 0.56 -1.50 4.77 -0.00 -0.86 -4.99 115.22 109.98 1xqf n HIS 156 Ca -0.02 -0.32 0.00 0.00 -0.00 0.00 0.00 57.72 57.38 1xqf n HIS 156 Cb 0.18 -0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.17 1xqf n HIS 156 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1xqf n GLY 157 N 1.32 0.54 3.77 -1.41 0.00 -0.60 -5.00 105.19 103.79 1xqf n GLY 157 Ca 0.18 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 1xqf n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xqf s ALA 158 N -2.00 3.25 -0.24 4.61 0.00 -0.92 -5.01 121.76 121.45 1xqf s ALA 158 Ca 0.00 1.30 -0.06 0.00 0.00 0.00 0.00 51.96 53.21 1xqf s ALA 158 Cb 0.00 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 1xqf s ALA 158 CO 0.00 -0.94 0.02 -0.51 0.00 0.00 0.00 175.76 174.34 1xqf s LEU 159 N -2.52 3.24 -0.39 0.00 1.43 -1.26 -4.80 118.68 114.37 1xqf s LEU 159 Ca 0.58 -0.33 0.07 0.00 -1.03 0.00 0.00 54.13 53.42 1xqf s LEU 159 Cb -0.40 -1.84 0.18 0.00 0.03 0.00 0.00 46.19 44.16 1xqf s LEU 159 CO 0.51 -0.04 0.60 -0.62 0.23 0.00 0.00 176.35 177.03 1xqf s ASP 160 N 1.55 -1.32 0.05 2.29 -1.08 -1.26 -4.96 116.67 111.94 1xqf s ASP 160 Ca 0.06 -0.70 -0.24 0.00 -0.52 0.00 0.00 52.55 51.15 1xqf s ASP 160 Cb -0.15 1.86 -0.17 0.00 -1.46 0.00 0.00 42.92 43.00 1xqf s ASP 160 CO 0.01 -0.20 1.58 0.15 0.52 0.00 0.00 175.17 177.23 1xqf h PHE 161 N 7.16 -0.05 0.00 -5.34 3.57 -1.42 -3.38 116.94 117.48 1xqf h PHE 161 Ca 0.04 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1xqf h PHE 161 Cb 1.17 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1xqf h PHE 161 CO 0.18 0.12 0.00 0.00 -2.23 0.00 0.00 178.31 176.38 1xqf n ALA 162 N -2.19 1.54 0.00 2.41 0.00 -1.00 -4.91 120.51 116.37 1xqf n ALA 162 Ca -0.08 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1xqf n ALA 162 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 1xqf n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xqf n GLY 163 N -0.23 1.15 0.34 0.00 0.00 -1.26 -4.86 105.19 100.33 1xqf n GLY 163 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1xqf n GLY 163 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xqf h GLY 164 N 0.00 1.55 0.00 -0.02 0.00 -1.90 -0.37 103.07 102.33 1xqf h GLY 164 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1xqf h GLY 164 CO 0.00 0.06 -0.23 -0.91 0.00 0.00 0.00 176.54 175.46 1xqf h THR 165 N 0.82 0.00 -0.79 4.70 1.35 -1.96 -1.83 112.91 115.21 1xqf h THR 165 Ca 0.49 -0.87 0.15 0.00 -0.55 0.00 0.00 66.41 65.63 1xqf h THR 165 Cb 0.60 0.00 -0.10 0.00 -1.73 0.00 0.00 68.15 66.92 1xqf h THR 165 CO -0.31 0.00 0.34 0.58 -0.25 0.00 0.00 175.52 175.88 1xqf h VAL 166 N -0.87 0.65 0.00 6.82 2.07 -1.91 -2.43 116.25 120.59 1xqf h VAL 166 Ca 0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1xqf h VAL 166 Cb 0.23 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1xqf h VAL 166 CO 0.00 0.09 -0.70 0.52 0.02 0.00 0.00 177.57 177.49 1xqf n VAL 167 N -4.98 1.15 0.07 2.57 0.31 -0.19 -4.59 118.33 112.67 1xqf n VAL 167 Ca 0.16 0.23 -0.10 0.00 -0.01 0.00 0.00 64.34 64.62 1xqf n VAL 167 Cb 0.44 -2.16 -0.07 0.00 -0.91 0.00 0.00 33.84 31.14 1xqf n VAL 167 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 1xqf h HIS 168 N -0.77 -0.23 -0.38 3.52 3.86 -1.49 -2.25 115.15 117.41 1xqf h HIS 168 Ca 0.00 -0.01 -0.14 0.00 -1.16 0.00 0.00 60.37 59.07 1xqf h HIS 168 Cb 0.70 0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.24 1xqf h HIS 168 CO -0.30 0.18 -0.32 0.82 0.86 0.00 0.00 177.93 179.17 1xqf h ILE 169 N -0.89 1.28 -0.06 2.45 2.04 -1.37 -1.16 117.51 119.80 1xqf h ILE 169 Ca -0.03 -1.48 0.03 0.00 1.00 0.00 0.00 64.86 64.39 1xqf h ILE 169 Cb 0.51 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 1xqf h ILE 169 CO 0.04 0.49 -0.19 -1.13 0.00 0.00 0.00 178.15 177.36 1xqf h ASN 170 N 0.71 -0.57 -0.26 1.72 -1.24 -1.53 -2.06 115.58 112.35 1xqf h ASN 170 Ca 0.08 0.09 -0.13 0.00 0.71 0.00 0.00 56.30 57.04 1xqf h ASN 170 Cb 0.87 0.25 -0.00 0.00 0.73 0.00 0.00 38.32 40.17 1xqf h ASN 170 CO 0.08 -0.25 -0.35 0.00 -1.29 0.00 0.00 177.43 175.62 1xqf h ALA 171 N 0.68 0.40 -0.87 1.57 0.00 -1.35 -3.11 119.26 116.57 1xqf h ALA 171 Ca 0.07 -0.43 0.05 0.00 0.00 0.00 0.00 54.91 54.60 1xqf h ALA 171 Cb 0.38 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 1xqf h ALA 171 CO -0.22 0.46 0.55 0.00 0.00 0.00 0.00 179.25 180.05 1xqf h ALA 172 N 0.67 1.17 -0.41 0.00 0.00 -1.11 -1.32 119.26 118.26 1xqf h ALA 172 Ca 0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1xqf h ALA 172 Cb 0.94 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1xqf h ALA 172 CO 0.08 0.35 -0.01 0.82 0.00 0.00 0.00 179.25 180.50 1xqf h ILE 173 N 1.04 1.26 -0.59 0.00 1.08 -1.42 -2.23 117.51 116.65 1xqf h ILE 173 Ca 0.36 -1.04 -0.04 0.00 -0.39 0.00 0.00 64.86 63.75 1xqf h ILE 173 Cb 0.08 1.11 -0.03 0.00 -3.07 0.00 0.00 36.82 34.92 1xqf h ILE 173 CO -0.14 0.35 0.20 0.00 -0.69 0.00 0.00 178.15 177.87 1xqf h ALA 174 N 0.89 1.23 -0.48 1.87 0.00 -1.40 -1.95 119.26 119.42 1xqf h ALA 174 Ca 0.12 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1xqf h ALA 174 Cb 0.50 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1xqf h ALA 174 CO 0.02 0.55 0.07 0.78 0.00 0.00 0.00 179.25 180.67 1xqf h GLY 175 N 0.99 0.85 1.09 0.00 0.00 -1.17 -2.88 103.07 101.96 1xqf h GLY 175 Ca 0.20 -0.57 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 1xqf h GLY 175 CO -0.01 0.53 0.26 1.41 0.00 0.00 0.00 176.54 178.72 1xqf h LEU 176 N 0.66 1.06 -0.63 3.11 3.38 -1.09 -1.53 115.31 120.27 1xqf h LEU 176 Ca 0.14 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1xqf h LEU 176 Cb 0.40 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1xqf h LEU 176 CO 0.01 0.97 0.22 0.58 0.09 0.00 0.00 178.44 180.31 1xqf h VAL 177 N 1.10 1.24 -0.23 1.22 2.07 -1.38 -2.08 116.25 118.20 1xqf h VAL 177 Ca 0.24 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1xqf h VAL 177 Cb 0.27 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1xqf h VAL 177 CO -0.01 0.31 0.12 1.23 0.02 0.00 0.00 177.57 179.24 1xqf h GLY 178 N 0.89 0.36 0.95 2.17 0.00 -1.27 -1.98 103.07 104.19 1xqf h GLY 178 Ca 0.21 -0.17 0.06 0.00 0.00 0.00 0.00 47.33 47.43 1xqf h GLY 178 CO -0.01 0.16 0.54 0.00 0.00 0.00 0.00 176.54 177.23 1xqf h ALA 179 N 0.99 1.59 -0.41 3.60 0.00 -1.19 -2.52 119.26 121.33 1xqf h ALA 179 Ca 0.08 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1xqf h ALA 179 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1xqf h ALA 179 CO -0.01 0.29 -0.11 -0.92 0.00 0.00 0.00 179.25 178.50 1xqf h TYR 180 N 0.92 0.89 0.00 0.00 3.20 -1.15 -3.51 116.97 117.31 1xqf h TYR 180 Ca 0.35 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1xqf h TYR 180 Cb 0.21 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.26 1xqf h TYR 180 CO -0.00 0.92 0.00 1.28 -1.64 0.00 0.00 178.16 178.72 1xqf n LEU 181 N -4.31 0.34 -3.73 2.82 4.77 -0.76 -5.12 117.00 111.01 1xqf n LEU 181 Ca -0.01 0.55 -0.27 0.00 -0.03 0.00 0.00 56.01 56.25 1xqf n LEU 181 Cb 0.37 -0.47 -0.17 0.00 -2.33 0.00 0.00 43.42 40.83 1xqf n LEU 181 CO 0.43 -0.21 -0.36 -2.84 -1.33 0.00 0.00 177.39 173.07 1xqf s PRO 195 N -3.09 0.58 0.26 3.23 0.02 -1.26 -4.95 135.00 129.80 1xqf s PRO 195 Ca 0.10 -0.29 0.26 0.00 0.02 0.00 0.00 61.00 61.08 1xqf s PRO 195 Cb 0.13 -1.88 0.74 0.00 0.02 0.00 0.00 34.50 33.52 1xqf s PRO 195 CO 0.46 -0.58 1.75 1.12 -0.33 0.00 0.00 177.00 179.42 1xqf h HIS 196 N 8.28 0.00 -1.82 6.54 2.07 -1.67 -3.40 115.15 125.15 1xqf h HIS 196 Ca -0.17 0.00 -0.41 0.00 -2.85 0.00 0.00 60.37 56.94 1xqf h HIS 196 Cb 1.12 0.00 -0.29 0.00 2.57 0.00 0.00 27.41 30.81 1xqf h HIS 196 CO 0.30 0.00 -0.78 1.21 -3.07 0.00 0.00 177.93 175.59 1xqf s ASN 197 N -4.83 0.28 0.27 3.10 3.84 -1.02 -5.02 114.94 111.55 1xqf s ASN 197 Ca 0.10 -2.52 -0.01 0.00 0.21 0.00 0.00 52.86 50.64 1xqf s ASN 197 Cb 0.11 0.50 0.37 0.00 -0.55 0.00 0.00 41.25 41.67 1xqf s ASN 197 CO 0.60 -0.13 1.76 -0.07 -2.79 0.00 0.00 177.10 176.47 1xqf h LEU 198 N 5.42 0.70 -1.51 3.21 3.38 -1.79 -2.49 115.31 122.23 1xqf h LEU 198 Ca 0.18 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 58.06 1xqf h LEU 198 Cb 0.99 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 1xqf h LEU 198 CO 0.23 0.79 0.43 -0.65 0.09 0.00 0.00 178.44 179.33 1xqf h PRO 199 N 0.67 0.56 -0.51 1.13 0.11 -1.97 -0.13 132.00 131.87 1xqf h PRO 199 Ca 0.13 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.14 1xqf h PRO 199 Cb 0.48 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 1xqf h PRO 199 CO 0.02 0.37 0.08 1.98 -0.21 0.00 0.00 178.00 180.24 1xqf h MET 200 N 0.58 0.85 -0.54 1.05 1.85 -1.81 -1.87 114.93 115.03 1xqf h MET 200 Ca 0.29 -0.23 0.01 0.00 -0.61 0.00 0.00 59.70 59.16 1xqf h MET 200 Cb 0.39 -0.10 -0.03 0.00 0.43 0.00 0.00 31.60 32.29 1xqf h MET 200 CO -0.09 0.85 0.35 0.28 -0.40 0.00 0.00 176.91 177.90 1xqf h VAL 201 N 0.73 1.12 -0.67 -5.77 2.07 -1.06 -1.71 116.25 110.97 1xqf h VAL 201 Ca 0.16 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 1xqf h VAL 201 Cb 0.41 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1xqf h VAL 201 CO 0.01 0.13 0.41 0.15 0.02 0.00 0.00 177.57 178.29 1xqf h PHE 202 N 0.72 0.88 -0.42 1.57 3.57 -0.98 -1.14 116.94 121.13 1xqf h PHE 202 Ca 0.20 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1xqf h PHE 202 Cb -0.06 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.37 1xqf h PHE 202 CO -0.04 0.59 0.21 1.15 -2.23 0.00 0.00 178.31 177.99 1xqf h THR 203 N 0.91 1.17 -0.56 4.41 2.02 -1.10 -1.25 112.91 118.50 1xqf h THR 203 Ca 0.24 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 1xqf h THR 203 Cb -0.04 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1xqf h THR 203 CO -0.05 0.18 0.31 1.23 0.37 0.00 0.00 175.52 177.56 1xqf h GLY 204 N 0.55 0.83 0.60 2.16 0.00 -1.16 -2.21 103.07 103.84 1xqf h GLY 204 Ca 0.15 -0.38 0.06 0.00 0.00 0.00 0.00 47.33 47.16 1xqf h GLY 204 CO -0.02 0.36 0.22 -0.84 0.00 0.00 0.00 176.54 176.26 1xqf h THR 205 N 0.75 0.88 -0.44 4.70 2.02 -1.01 -1.21 112.91 118.60 1xqf h THR 205 Ca 0.20 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 1xqf h THR 205 Cb 0.04 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1xqf h THR 205 CO -0.03 0.08 0.18 0.00 0.37 0.00 0.00 175.52 176.12 1xqf h ALA 206 N 1.32 0.58 -0.69 6.16 0.00 -1.03 -1.19 119.26 124.40 1xqf h ALA 206 Ca 0.24 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1xqf h ALA 206 Cb 0.22 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1xqf h ALA 206 CO -0.21 0.18 0.29 0.82 0.00 0.00 0.00 179.25 180.33 1xqf h ILE 207 N 0.57 1.24 -0.62 0.00 2.04 -1.29 -1.99 117.51 117.47 1xqf h ILE 207 Ca 0.15 -0.73 0.05 0.00 1.00 0.00 0.00 64.86 65.33 1xqf h ILE 207 Cb 0.19 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 1xqf h ILE 207 CO -0.01 0.29 0.33 -0.07 0.00 0.00 0.00 178.15 178.70 1xqf h LEU 208 N 0.98 0.49 0.38 1.44 3.38 -1.02 -1.65 115.31 119.30 1xqf h LEU 208 Ca 0.23 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 1xqf h LEU 208 Cb 0.18 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1xqf h LEU 208 CO -0.02 0.32 -0.21 0.22 0.09 0.00 0.00 178.44 178.85 1xqf h TYR 209 N 0.63 -0.54 -0.12 1.13 3.20 -0.95 -1.50 116.97 118.82 1xqf h TYR 209 Ca 0.27 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.14 1xqf h TYR 209 Cb 0.17 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1xqf h TYR 209 CO -0.09 -0.33 0.08 0.82 -1.64 0.00 0.00 178.16 177.00 1xqf h ILE 210 N -0.54 1.04 -0.27 1.81 1.08 -1.35 -2.61 117.51 116.66 1xqf h ILE 210 Ca -0.05 -0.08 0.03 0.00 -0.39 0.00 0.00 64.86 64.38 1xqf h ILE 210 Cb 0.43 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 35.05 1xqf h ILE 210 CO 0.06 0.03 0.19 1.23 -0.69 0.00 0.00 178.15 178.97 1xqf h GLY 211 N 0.15 0.26 2.00 5.37 0.00 -1.33 -2.77 103.07 106.75 1xqf h GLY 211 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1xqf h GLY 211 CO -0.01 0.08 0.00 -0.25 0.00 0.00 0.00 176.54 176.36 1xqf h TRP 212 N 0.23 0.00 -0.34 5.60 2.91 -0.86 -1.21 115.95 122.28 1xqf h TRP 212 Ca 0.12 0.00 -0.12 0.00 1.13 0.00 0.00 58.89 60.01 1xqf h TRP 212 Cb 0.18 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.82 1xqf h TRP 212 CO -0.00 0.00 -0.29 0.74 -1.03 0.00 0.00 178.44 177.86 1xqf h PHE 213 N 0.00 0.82 -0.59 2.65 0.04 -1.54 -0.73 116.94 117.59 1xqf h PHE 213 Ca 0.00 -0.21 -0.07 0.00 2.80 0.00 0.00 57.97 60.50 1xqf h PHE 213 Cb 0.13 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.07 1xqf h PHE 213 CO 0.00 0.92 0.12 0.78 -0.60 0.00 0.00 178.31 179.53 1xqf h GLY 214 N 0.98 1.04 0.90 -1.45 0.00 -1.41 -0.55 103.07 102.58 1xqf h GLY 214 Ca 0.07 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 1xqf h GLY 214 CO 0.07 0.63 -0.13 -2.75 0.00 0.00 0.00 176.54 174.36 1xqf h PHE 215 N 0.87 -0.33 0.01 5.60 3.04 -1.35 -1.84 116.94 122.94 1xqf h PHE 215 Ca 0.18 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.12 1xqf h PHE 215 Cb 0.39 0.11 0.00 0.00 2.56 0.00 0.00 35.95 39.01 1xqf h PHE 215 CO 0.03 -0.13 -0.00 -0.91 -2.02 0.00 0.00 178.31 175.27 1xqf h ASN 216 N -0.46 -0.01 -0.42 0.41 2.35 -1.18 -3.24 115.58 113.03 1xqf h ASN 216 Ca -0.04 -0.74 -0.15 0.00 -0.55 0.00 0.00 56.30 54.83 1xqf h ASN 216 Cb 0.35 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 1xqf h ASN 216 CO 0.06 0.85 -0.32 0.00 -1.65 0.00 0.00 177.43 176.37 1xqf h ALA 217 N -0.22 0.63 -0.05 -0.83 0.00 -1.25 -2.93 119.26 114.61 1xqf h ALA 217 Ca -0.00 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.49 1xqf h ALA 217 Cb 0.74 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1xqf h ALA 217 CO 0.00 0.68 0.06 0.78 0.00 0.00 0.00 179.25 180.77 1xqf h GLY 218 N 0.82 0.00 2.00 0.00 0.00 -1.40 -2.07 103.07 102.42 1xqf h GLY 218 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1xqf h GLY 218 CO 0.08 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.06 1xqf n SER 219 N -3.82 0.21 0.18 0.19 7.64 -1.10 -1.39 113.62 115.52 1xqf n SER 219 Ca -0.02 0.57 0.04 0.00 1.01 0.00 0.00 58.87 60.47 1xqf n SER 219 Cb 0.15 -0.61 0.33 0.00 -1.01 0.00 0.00 64.21 63.07 1xqf n SER 219 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xqf h ALA 220 N 2.20 1.11 0.00 -0.43 0.00 -1.55 -3.48 119.26 117.12 1xqf h ALA 220 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1xqf h ALA 220 Cb 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xqf h ALA 220 CO 0.00 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.18 1xqf n GLY 221 N -0.02 0.62 3.56 0.00 0.00 -0.48 -4.97 105.19 103.90 1xqf n GLY 221 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1xqf n GLY 221 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xqf s THR 222 N -2.55 0.00 -1.47 2.61 -1.32 -1.26 -4.67 115.64 106.98 1xqf s THR 222 Ca 0.00 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.37 1xqf s THR 222 Cb 0.00 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.02 1xqf s THR 222 CO 0.00 0.00 2.41 0.00 -2.21 0.00 0.00 174.62 174.82 1xqf n ALA 223 N 0.88 6.26 -3.09 11.08 0.00 -1.26 -4.51 120.51 129.86 1xqf n ALA 223 Ca -0.13 -3.87 0.00 0.00 0.00 0.00 0.00 53.44 49.44 1xqf n ALA 223 Cb 0.57 -3.32 0.00 0.00 0.00 0.00 0.00 19.45 16.70 1xqf n ALA 223 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1xqf n ASN 224 N 4.54 1.58 0.22 0.00 6.94 -1.26 -5.01 115.26 122.27 1xqf n ASN 224 Ca 0.59 -0.30 0.11 0.00 -0.02 0.00 0.00 54.58 54.96 1xqf n ASN 224 Cb 0.32 0.00 0.38 0.00 -2.36 0.00 0.00 39.78 38.12 1xqf n ASN 224 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 1xqf h GLU 225 N 0.00 0.00 0.01 -3.83 9.09 -1.99 -2.24 114.58 115.62 1xqf h GLU 225 Ca 0.00 0.00 -0.22 0.00 0.05 0.00 0.00 59.36 59.19 1xqf h GLU 225 Cb 0.00 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.12 1xqf h GLU 225 CO 0.00 0.16 -0.88 0.82 0.05 0.00 0.00 179.01 179.16 1xqf h ILE 226 N 0.00 1.34 -0.72 -1.06 1.08 -1.95 -1.46 117.51 114.74 1xqf h ILE 226 Ca -0.00 -2.20 0.09 0.00 -0.39 0.00 0.00 64.86 62.36 1xqf h ILE 226 Cb 0.85 2.50 -0.07 0.00 -3.07 0.00 0.00 36.82 37.03 1xqf h ILE 226 CO 0.02 0.66 0.37 0.00 -0.69 0.00 0.00 178.15 178.52 1xqf h ALA 227 N 0.35 1.00 -0.62 1.87 0.00 -1.77 -0.73 119.26 119.37 1xqf h ALA 227 Ca -0.11 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xqf h ALA 227 Cb 1.56 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 1xqf h ALA 227 CO 0.17 -0.02 0.38 0.00 0.00 0.00 0.00 179.25 179.78 1xqf h ALA 228 N 1.43 0.79 -0.30 0.00 0.00 -1.37 -1.39 119.26 118.41 1xqf h ALA 228 Ca 0.35 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1xqf h ALA 228 Cb 0.35 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1xqf h ALA 228 CO -0.26 0.26 0.13 1.25 0.00 0.00 0.00 179.25 180.63 1xqf h LEU 229 N 0.84 0.41 -1.04 0.00 5.85 -0.98 -2.23 115.31 118.15 1xqf h LEU 229 Ca 0.22 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1xqf h LEU 229 Cb -0.04 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1xqf h LEU 229 CO -0.04 0.44 0.35 0.00 -0.34 0.00 0.00 178.44 178.85 1xqf h ALA 230 N 0.98 1.25 0.42 1.25 0.00 -0.98 -1.39 119.26 120.80 1xqf h ALA 230 Ca 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1xqf h ALA 230 Cb 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xqf h ALA 230 CO -0.01 0.58 -0.20 0.35 0.00 0.00 0.00 179.25 179.97 1xqf h PHE 231 N 1.02 -0.52 -0.48 0.00 3.04 -1.04 -2.04 116.94 116.93 1xqf h PHE 231 Ca 0.25 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.19 1xqf h PHE 231 Cb 0.10 0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.76 1xqf h PHE 231 CO 0.01 -0.27 0.32 0.28 -2.02 0.00 0.00 178.31 176.63 1xqf h VAL 232 N -0.66 1.12 -0.19 1.41 2.07 -1.32 -2.38 116.25 116.30 1xqf h VAL 232 Ca -0.06 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.26 1xqf h VAL 232 Cb 0.48 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1xqf h VAL 232 CO 0.09 0.12 0.13 0.78 0.02 0.00 0.00 177.57 178.71 1xqf h ASN 233 N 0.65 0.14 -0.12 0.57 2.35 -1.24 -1.96 115.58 115.96 1xqf h ASN 233 Ca 0.18 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.88 1xqf h ASN 233 Cb -0.07 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.26 1xqf h ASN 233 CO -0.04 0.10 -0.08 0.74 -1.65 0.00 0.00 177.43 176.50 1xqf h THR 234 N 0.16 1.33 -0.25 2.81 2.02 -0.86 -1.42 112.91 116.71 1xqf h THR 234 Ca 0.08 -1.17 0.05 0.00 0.77 0.00 0.00 66.41 66.14 1xqf h THR 234 Cb 0.12 1.84 -0.05 0.00 -1.74 0.00 0.00 68.15 68.32 1xqf h THR 234 CO -0.01 0.34 -0.06 0.58 0.37 0.00 0.00 175.52 176.74 1xqf h VAL 235 N -0.10 0.76 -0.16 3.16 2.07 -1.22 -2.64 116.25 118.13 1xqf h VAL 235 Ca 0.02 -0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 1xqf h VAL 235 Cb 0.57 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1xqf h VAL 235 CO 0.02 0.00 -0.05 0.58 0.02 0.00 0.00 177.57 178.14 1xqf h VAL 236 N 0.01 1.30 -0.32 2.57 2.07 -1.34 -2.80 116.25 117.73 1xqf h VAL 236 Ca 0.12 -1.05 -0.13 0.00 0.82 0.00 0.00 66.70 66.46 1xqf h VAL 236 Cb 0.18 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1xqf h VAL 236 CO -0.25 0.31 -0.31 0.00 0.02 0.00 0.00 177.57 177.34 1xqf h ALA 237 N 0.70 0.85 -0.21 1.67 0.00 -1.28 -1.82 119.26 119.16 1xqf h ALA 237 Ca 0.04 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1xqf h ALA 237 Cb 0.50 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1xqf h ALA 237 CO 0.02 0.64 0.13 1.15 0.00 0.00 0.00 179.25 181.19 1xqf h THR 238 N 0.59 1.07 -0.61 0.00 2.02 -1.52 -2.21 112.91 112.26 1xqf h THR 238 Ca 0.07 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 1xqf h THR 238 Cb 0.82 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 1xqf h THR 238 CO 0.07 0.07 0.25 0.00 0.37 0.00 0.00 175.52 176.28 1xqf h ALA 239 N 1.05 0.79 -0.28 6.16 0.00 -1.34 -1.57 119.26 124.07 1xqf h ALA 239 Ca 0.08 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1xqf h ALA 239 Cb -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1xqf h ALA 239 CO -0.02 0.39 -0.09 0.00 0.00 0.00 0.00 179.25 179.54 1xqf h ALA 240 N 1.10 1.34 0.09 0.00 0.00 -1.28 -2.42 119.26 118.08 1xqf h ALA 240 Ca 0.20 -0.24 -0.27 0.00 0.00 0.00 0.00 54.91 54.61 1xqf h ALA 240 Cb 0.18 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1xqf h ALA 240 CO -0.02 0.45 -1.15 0.00 0.00 0.00 0.00 179.25 178.53 1xqf h ALA 241 N 1.49 0.16 -0.23 0.00 0.00 -1.14 -1.20 119.26 118.33 1xqf h ALA 241 Ca 0.08 -0.80 0.04 0.00 0.00 0.00 0.00 54.91 54.23 1xqf h ALA 241 Cb 0.42 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1xqf h ALA 241 CO 0.02 0.85 0.01 0.82 0.00 0.00 0.00 179.25 180.95 1xqf h ILE 242 N 0.17 0.85 -0.57 0.00 2.04 -1.21 -1.83 117.51 116.96 1xqf h ILE 242 Ca -0.13 -0.03 -0.08 0.00 1.00 0.00 0.00 64.86 65.62 1xqf h ILE 242 Cb 1.84 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.65 1xqf h ILE 242 CO 0.20 0.02 0.05 -0.07 0.00 0.00 0.00 178.15 178.35 1xqf h LEU 243 N 0.09 0.93 -0.38 1.44 3.38 -1.39 -2.22 115.31 117.16 1xqf h LEU 243 Ca 0.11 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1xqf h LEU 243 Cb 0.13 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1xqf h LEU 243 CO -0.18 0.98 0.17 1.23 0.09 0.00 0.00 178.44 180.73 1xqf h GLY 244 N 0.85 0.60 0.91 0.83 0.00 -1.18 -1.48 103.07 103.61 1xqf h GLY 244 Ca 0.17 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 1xqf h GLY 244 CO 0.02 0.30 0.02 -0.25 0.00 0.00 0.00 176.54 176.63 1xqf h TRP 245 N 0.47 0.06 -0.85 5.60 2.91 -1.33 -2.40 115.95 120.42 1xqf h TRP 245 Ca 0.13 -0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.13 1xqf h TRP 245 Cb 0.16 -0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 28.75 1xqf h TRP 245 CO -0.01 0.13 0.45 0.82 -1.03 0.00 0.00 178.44 178.81 1xqf h ILE 246 N -0.03 1.25 -0.49 2.65 1.08 -1.39 0.09 117.51 120.67 1xqf h ILE 246 Ca 0.01 -0.63 -0.01 0.00 -0.39 0.00 0.00 64.86 63.84 1xqf h ILE 246 Cb 0.09 0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 33.94 1xqf h ILE 246 CO -0.00 0.28 0.27 0.15 -0.69 0.00 0.00 178.15 178.16 1xqf h PHE 247 N 1.18 0.67 -0.42 1.37 3.57 -1.26 -0.36 116.94 121.69 1xqf h PHE 247 Ca 0.30 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.71 1xqf h PHE 247 Cb 0.04 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 1xqf h PHE 247 CO 0.01 0.49 -0.02 0.78 -2.23 0.00 0.00 178.31 177.34 1xqf h GLY 248 N 0.65 0.75 0.97 2.40 0.00 -0.87 -1.09 103.07 105.88 1xqf h GLY 248 Ca 0.17 -0.49 -0.11 0.00 0.00 0.00 0.00 47.33 46.90 1xqf h GLY 248 CO -0.03 0.46 -0.22 -2.09 0.00 0.00 0.00 176.54 174.66 1xqf h GLU 249 N 0.65 0.72 -0.89 4.80 4.81 -0.77 -1.00 114.58 122.89 1xqf h GLU 249 Ca 0.13 -0.34 0.04 0.00 -0.13 0.00 0.00 59.36 59.06 1xqf h GLU 249 Cb 0.44 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.76 1xqf h GLU 249 CO 0.02 0.95 0.57 2.35 -0.73 0.00 0.00 179.01 182.17 1xqf h TRP 250 N 0.48 1.08 -0.23 0.92 7.01 -0.81 0.26 115.95 124.66 1xqf h TRP 250 Ca 0.06 0.03 -0.13 0.00 2.11 0.00 0.00 58.89 60.96 1xqf h TRP 250 Cb 0.77 -0.36 -0.00 0.00 -2.10 0.00 0.00 29.16 27.47 1xqf h TRP 250 CO 0.06 0.61 -0.37 0.00 -2.79 0.00 0.00 178.44 175.95 1xqf h ALA 251 N 1.38 0.35 0.16 2.65 0.00 -1.02 -2.33 119.26 120.44 1xqf h ALA 251 Ca 0.36 -0.44 -0.36 0.00 0.00 0.00 0.00 54.91 54.48 1xqf h ALA 251 Cb 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1xqf h ALA 251 CO -0.13 0.43 -1.86 -0.07 0.00 0.00 0.00 179.25 177.61 1xqf h LEU 252 N 0.35 0.53 -0.28 0.00 3.38 -1.13 -3.40 115.31 114.77 1xqf h LEU 252 Ca 0.02 -0.95 0.00 0.00 0.09 0.00 0.00 57.88 57.04 1xqf h LEU 252 Cb 0.96 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1xqf h LEU 252 CO 0.08 1.82 -0.56 0.54 0.09 0.00 0.00 178.44 180.41 1xqf n ARG 253 N -3.54 2.08 0.00 1.13 1.74 0.90 -5.01 116.66 113.95 1xqf n ARG 253 Ca -0.28 -0.25 0.00 0.00 -0.77 0.00 0.00 57.85 56.55 1xqf n ARG 253 Cb 1.06 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 31.30 1xqf n ARG 253 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xqf n GLY 254 N 1.27 3.29 3.51 -0.13 0.00 -0.88 -4.98 105.19 107.27 1xqf n GLY 254 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 1xqf n GLY 254 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xqf s LYS 255 N -0.63 0.99 0.81 1.61 -2.85 -1.25 -4.85 119.74 113.57 1xqf s LYS 255 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 55.97 54.86 1xqf s LYS 255 Cb 0.00 0.46 0.08 0.00 -2.06 0.00 0.00 37.83 36.31 1xqf s LYS 255 CO 0.00 -0.36 1.09 -1.25 0.10 0.00 0.00 175.35 174.93 1xqf s PRO 256 N -2.00 2.00 0.10 1.78 0.04 -1.26 -4.18 135.00 131.47 1xqf s PRO 256 Ca -0.05 0.98 0.02 0.00 0.04 0.00 0.00 61.00 61.99 1xqf s PRO 256 Cb -0.00 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 1xqf s PRO 256 CO 0.01 -1.77 -0.06 -1.54 0.04 0.00 0.00 177.00 173.68 1xqf s SER 257 N -3.50 1.12 0.15 6.66 1.04 -1.26 -5.04 113.70 112.87 1xqf s SER 257 Ca 0.61 -1.01 -0.15 0.00 0.48 0.00 0.00 55.95 55.88 1xqf s SER 257 Cb -0.17 0.10 0.03 0.00 0.10 0.00 0.00 66.02 66.08 1xqf s SER 257 CO 0.56 -0.47 1.75 0.25 0.98 0.00 0.00 173.24 176.31 1xqf h LEU 258 N 2.96 0.58 -1.09 2.42 5.85 -2.00 -1.85 115.31 122.18 1xqf h LEU 258 Ca -0.35 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.23 1xqf h LEU 258 Cb 1.17 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 1xqf h LEU 258 CO 0.65 0.51 0.22 0.25 -0.34 0.00 0.00 178.44 179.73 1xqf h LEU 259 N 0.60 0.79 -0.16 2.25 5.85 -1.97 -2.08 115.31 120.59 1xqf h LEU 259 Ca 0.16 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1xqf h LEU 259 Cb 0.07 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1xqf h LEU 259 CO -0.02 0.72 0.06 1.23 -0.34 0.00 0.00 178.44 180.08 1xqf h GLY 260 N 0.97 0.19 0.94 3.75 0.00 -1.92 -1.01 103.07 105.99 1xqf h GLY 260 Ca 0.20 -0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.51 1xqf h GLY 260 CO -0.02 0.03 0.35 0.00 0.00 0.00 0.00 176.54 176.90 1xqf h ALA 261 N 1.09 0.71 -0.64 3.60 0.00 -1.08 -1.04 119.26 121.90 1xqf h ALA 261 Ca 0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1xqf h ALA 261 Cb 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1xqf h ALA 261 CO -0.06 0.10 0.09 0.00 0.00 0.00 0.00 179.25 179.37 1xqf h SER 263 N 0.99 1.00 -0.82 0.00 0.02 -0.96 -2.65 113.55 111.12 1xqf h SER 263 Ca 0.19 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xqf h SER 263 Cb 0.46 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 1xqf h SER 263 CO 0.02 0.92 0.53 1.23 -1.14 0.00 0.00 176.83 178.38 1xqf h GLY 264 N 1.02 1.17 0.78 -3.77 0.00 -1.09 -1.14 103.07 100.03 1xqf h GLY 264 Ca 0.23 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 47.12 1xqf h GLY 264 CO -0.01 0.45 -0.04 0.00 0.00 0.00 0.00 176.54 176.93 1xqf h ALA 265 N 1.29 0.03 -0.90 3.60 0.00 -1.21 -2.26 119.26 119.80 1xqf h ALA 265 Ca 0.30 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1xqf h ALA 265 Cb -0.10 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1xqf h ALA 265 CO -0.06 -0.51 0.58 0.82 0.00 0.00 0.00 179.25 180.07 1xqf h ILE 266 N -0.04 1.24 -0.42 0.00 1.08 -1.33 -2.00 117.51 116.05 1xqf h ILE 266 Ca 0.05 -0.47 0.02 0.00 -0.39 0.00 0.00 64.86 64.07 1xqf h ILE 266 Cb 0.11 -0.07 -0.03 0.00 -3.07 0.00 0.00 36.82 33.76 1xqf h ILE 266 CO -0.11 0.24 0.23 0.00 -0.69 0.00 0.00 178.15 177.82 1xqf h ALA 267 N 1.32 0.52 -0.64 1.87 0.00 -0.94 -0.92 119.26 120.47 1xqf h ALA 267 Ca 0.33 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 1xqf h ALA 267 Cb -0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1xqf h ALA 267 CO -0.07 -0.11 0.09 0.78 0.00 0.00 0.00 179.25 179.94 1xqf h GLY 268 N 0.46 1.15 0.97 0.00 0.00 -1.22 -1.09 103.07 103.35 1xqf h GLY 268 Ca 0.17 -0.78 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 1xqf h GLY 268 CO -0.10 0.72 0.22 1.41 0.00 0.00 0.00 176.54 178.79 1xqf h LEU 269 N 0.98 0.62 -0.08 3.11 3.38 -1.11 -1.57 115.31 120.64 1xqf h LEU 269 Ca 0.19 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1xqf h LEU 269 Cb 0.46 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1xqf h LEU 269 CO 0.02 0.59 0.02 0.58 0.09 0.00 0.00 178.44 179.74 1xqf h VAL 270 N 0.62 1.18 -0.82 1.22 2.07 -1.14 -2.70 116.25 116.68 1xqf h VAL 270 Ca 0.16 -0.56 0.07 0.00 0.82 0.00 0.00 66.70 67.19 1xqf h VAL 270 Cb 0.14 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 1xqf h VAL 270 CO -0.02 0.16 0.49 1.23 0.02 0.00 0.00 177.57 179.45 1xqf h GLY 271 N -0.06 1.23 1.74 2.17 0.00 -1.10 -2.73 103.07 104.32 1xqf h GLY 271 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1xqf h GLY 271 CO -0.00 0.22 -0.16 1.55 0.00 0.00 0.00 176.54 178.15 1xqf n VAL 272 N -4.67 0.21 -0.01 4.60 3.14 -0.60 -4.30 118.33 116.69 1xqf n VAL 272 Ca 0.12 -0.11 -0.12 0.00 -2.96 0.00 0.00 64.34 61.27 1xqf n VAL 272 Cb 0.19 -0.36 -0.06 0.00 -1.06 0.00 0.00 33.84 32.56 1xqf n VAL 272 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 1xqf h THR 273 N 0.00 0.16 0.00 1.55 2.02 -1.15 0.27 112.91 115.76 1xqf h THR 273 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1xqf h THR 273 Cb 0.60 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1xqf h THR 273 CO 0.00 0.00 -0.15 1.55 0.37 0.00 0.00 175.52 177.29 1xqf h PRO 274 N -0.47 0.00 0.00 6.66 0.13 -1.77 -2.64 132.00 133.92 1xqf h PRO 274 Ca 0.08 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.16 1xqf h PRO 274 Cb 0.61 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 1xqf h PRO 274 CO -0.41 0.15 -1.76 0.00 -0.23 0.00 0.00 178.00 175.75 1xqf n ALA 275 N -2.24 2.52 -0.34 -0.56 0.00 -0.81 -1.43 120.51 117.65 1xqf n ALA 275 Ca -0.01 -0.54 0.06 0.00 0.00 0.00 0.00 53.44 52.95 1xqf n ALA 275 Cb 0.30 -0.79 0.22 0.00 0.00 0.00 0.00 19.45 19.19 1xqf n ALA 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xqf n GLY 277 N -1.34 -0.43 0.00 0.00 0.00 -1.26 -3.89 105.19 98.27 1xqf n GLY 277 Ca 0.18 -0.26 0.01 0.00 0.00 0.00 0.00 46.02 45.94 1xqf n GLY 277 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xqf n TYR 278 N -0.30 0.00 -3.92 1.61 4.01 -0.17 -4.90 117.16 113.49 1xqf n TYR 278 Ca 0.15 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.67 1xqf n TYR 278 Cb 0.19 -0.02 -0.05 0.00 -0.31 0.00 0.00 39.34 39.15 1xqf n TYR 278 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1xqf s ILE 279 N -1.86 2.93 0.66 -0.72 -4.36 -1.12 -1.28 121.20 115.45 1xqf s ILE 279 Ca -0.00 -1.54 -0.03 0.00 -0.26 0.00 0.00 60.65 58.82 1xqf s ILE 279 Cb 0.01 -3.03 0.07 0.00 1.25 0.00 0.00 42.46 40.76 1xqf s ILE 279 CO 0.05 -0.11 0.94 -0.83 0.24 0.00 0.00 174.94 175.23 1xqf s GLY 280 N -3.95 1.76 0.34 6.27 0.00 -1.16 -4.79 107.32 105.78 1xqf s GLY 280 Ca 0.41 -1.24 0.04 0.00 0.00 0.00 0.00 44.72 43.94 1xqf s GLY 280 CO 0.25 -0.83 1.87 -0.39 0.00 0.00 0.00 173.10 174.00 1xqf h VAL 281 N -0.39 1.20 -0.30 1.40 -1.51 -1.93 -1.23 116.25 113.49 1xqf h VAL 281 Ca -0.42 -0.80 0.01 0.00 -1.23 0.00 0.00 66.70 64.26 1xqf h VAL 281 Cb 1.30 0.97 -0.02 0.00 -2.13 0.00 0.00 31.29 31.41 1xqf h VAL 281 CO 0.52 0.27 0.18 1.23 -1.23 0.00 0.00 177.57 178.54 1xqf h GLY 282 N 0.83 0.41 0.92 5.19 0.00 -1.95 -1.82 103.07 106.66 1xqf h GLY 282 Ca 0.10 -0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.33 1xqf h GLY 282 CO 0.01 0.12 0.66 -1.33 0.00 0.00 0.00 176.54 176.00 1xqf h GLY 283 N 0.36 1.45 1.12 4.60 0.00 -1.69 -2.39 103.07 106.52 1xqf h GLY 283 Ca 0.12 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 1xqf h GLY 283 CO -0.05 0.45 0.39 0.00 0.00 0.00 0.00 176.54 177.34 1xqf h ALA 284 N 1.40 1.18 -0.49 3.60 0.00 -0.88 -0.75 119.26 123.32 1xqf h ALA 284 Ca 0.39 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 1xqf h ALA 284 Cb -0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1xqf h ALA 284 CO -0.11 0.63 -0.10 1.25 0.00 0.00 0.00 179.25 180.91 1xqf h LEU 285 N 1.14 0.94 -0.14 0.00 6.46 -1.05 -1.54 115.31 121.11 1xqf h LEU 285 Ca 0.28 -0.35 -0.05 0.00 -0.12 0.00 0.00 57.88 57.63 1xqf h LEU 285 Cb 0.10 -0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 39.77 1xqf h LEU 285 CO -0.04 1.07 -0.12 0.40 -0.62 0.00 0.00 178.44 179.13 1xqf h ILE 286 N 0.79 1.34 -0.71 4.05 2.04 -1.25 -2.32 117.51 121.45 1xqf h ILE 286 Ca 0.13 -1.26 0.05 0.00 1.00 0.00 0.00 64.86 64.77 1xqf h ILE 286 Cb 0.66 1.85 -0.05 0.00 -0.74 0.00 0.00 36.82 38.54 1xqf h ILE 286 CO 0.05 0.37 0.43 0.40 0.00 0.00 0.00 178.15 179.39 1xqf h ILE 287 N -0.03 1.04 0.14 -0.67 2.04 -1.17 -2.18 117.51 116.67 1xqf h ILE 287 Ca 0.02 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.62 1xqf h ILE 287 Cb 0.64 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1xqf h ILE 287 CO 0.03 0.15 -0.20 1.23 0.00 0.00 0.00 178.15 179.36 1xqf h GLY 288 N 0.81 -0.38 0.88 5.37 0.00 -1.24 -0.64 103.07 107.86 1xqf h GLY 288 Ca 0.30 0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.87 1xqf h GLY 288 CO -0.14 -0.19 0.02 -2.08 0.00 0.00 0.00 176.54 174.15 1xqf h VAL 289 N -0.39 0.95 -0.56 4.60 2.07 -1.28 -1.66 116.25 119.98 1xqf h VAL 289 Ca 0.02 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1xqf h VAL 289 Cb 0.40 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1xqf h VAL 289 CO -0.09 0.01 0.33 0.58 0.02 0.00 0.00 177.57 178.42 1xqf h VAL 290 N 0.06 1.17 -0.63 2.57 2.07 -1.37 -2.43 116.25 117.69 1xqf h VAL 290 Ca 0.05 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1xqf h VAL 290 Cb 0.04 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 1xqf h VAL 290 CO -0.06 0.18 0.37 0.00 0.02 0.00 0.00 177.57 178.08 1xqf h ALA 291 N 1.16 0.81 -0.72 1.67 0.00 -0.92 0.60 119.26 121.86 1xqf h ALA 291 Ca 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1xqf h ALA 291 Cb 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1xqf h ALA 291 CO -0.04 0.29 0.36 0.78 0.00 0.00 0.00 179.25 180.65 1xqf h GLY 292 N 0.86 1.10 1.22 0.00 0.00 -1.14 -0.48 103.07 104.63 1xqf h GLY 292 Ca 0.23 -0.53 -0.21 0.00 0.00 0.00 0.00 47.33 46.82 1xqf h GLY 292 CO -0.04 0.51 -0.68 1.41 0.00 0.00 0.00 176.54 177.73 1xqf h LEU 293 N 1.00 0.91 -0.85 3.11 3.38 -1.22 -2.68 115.31 118.96 1xqf h LEU 293 Ca 0.25 -0.55 -0.06 0.00 0.09 0.00 0.00 57.88 57.60 1xqf h LEU 293 Cb 0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1xqf h LEU 293 CO -0.03 1.35 0.16 0.00 0.09 0.00 0.00 178.44 180.00 1xqf h ALA 294 N 0.65 1.06 -0.29 1.53 0.00 -0.78 -1.84 119.26 119.60 1xqf h ALA 294 Ca -0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1xqf h ALA 294 Cb 1.30 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1xqf h ALA 294 CO 0.14 0.62 0.18 0.78 0.00 0.00 0.00 179.25 180.97 1xqf h GLY 295 N 1.05 0.41 0.97 0.00 0.00 -1.08 0.06 103.07 104.49 1xqf h GLY 295 Ca 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 1xqf h GLY 295 CO 0.00 0.16 0.24 -2.00 0.00 0.00 0.00 176.54 174.94 1xqf h LEU 296 N 0.37 0.67 -0.53 3.11 5.85 -1.36 -1.75 115.31 121.67 1xqf h LEU 296 Ca 0.10 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.74 1xqf h LEU 296 Cb 0.00 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 1xqf h LEU 296 CO -0.02 0.62 0.25 -0.25 -0.34 0.00 0.00 178.44 178.70 1xqf h TRP 297 N 0.67 0.46 -0.33 1.25 7.01 -1.21 -2.53 115.95 121.27 1xqf h TRP 297 Ca 0.17 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.22 1xqf h TRP 297 Cb 0.13 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.04 1xqf h TRP 297 CO -0.00 0.20 0.18 0.78 -2.79 0.00 0.00 178.44 176.81 1xqf h GLY 298 N 0.49 0.45 2.00 2.65 0.00 -0.56 -2.65 103.07 105.45 1xqf h GLY 298 Ca 0.24 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 1xqf h GLY 298 CO -0.19 0.11 -0.32 -0.39 0.00 0.00 0.00 176.54 175.75 1xqf h VAL 299 N 0.37 0.80 -0.03 4.60 -1.51 -1.27 -3.06 116.25 116.16 1xqf h VAL 299 Ca 0.14 -1.35 -0.13 0.00 -1.23 0.00 0.00 66.70 64.12 1xqf h VAL 299 Cb 0.03 1.84 -0.02 0.00 -2.13 0.00 0.00 31.29 31.02 1xqf h VAL 299 CO -0.08 0.32 -0.60 0.74 -1.23 0.00 0.00 177.57 176.71 1xqf h THR 300 N 0.00 1.42 -0.00 7.19 2.02 -1.16 -3.52 112.91 118.86 1xqf h THR 300 Ca -0.00 -2.03 0.00 0.00 0.77 0.00 0.00 66.41 65.15 1xqf h THR 300 Cb 0.82 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 1xqf h THR 300 CO 0.04 0.59 -0.17 0.23 0.37 0.00 0.00 175.52 176.58 1xqf n MET 301 N -3.84 0.34 -0.01 6.66 2.81 -1.02 -5.12 117.12 116.93 1xqf n MET 301 Ca -0.02 -0.11 0.00 0.00 -1.81 0.00 0.00 57.70 55.76 1xqf n MET 301 Cb 0.61 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.62 1xqf n MET 301 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1xqf n PRO 311 N -1.23 0.09 0.00 0.03 -0.04 -1.26 -4.98 135.00 127.61 1xqf n PRO 311 Ca 0.10 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.66 1xqf n PRO 311 Cb 0.31 -1.46 0.59 0.00 -0.04 0.00 0.00 33.50 32.90 1xqf n PRO 311 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xqf h ASP 313 N 0.00 0.00 -0.14 0.00 5.19 -2.00 -2.80 116.42 116.67 1xqf h ASP 313 Ca 0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 1xqf h ASP 313 Cb 0.01 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 1xqf h ASP 313 CO 0.00 0.10 -0.01 0.58 -3.12 0.00 0.00 179.24 176.79 1xqf h VAL 314 N 0.00 1.16 0.00 -1.35 2.07 -1.90 -0.11 116.25 116.12 1xqf h VAL 314 Ca -0.00 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1xqf h VAL 314 Cb 0.54 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1xqf h VAL 314 CO 0.01 0.21 0.00 -0.26 0.02 0.00 0.00 177.57 177.56 1xqf h PHE 315 N 0.36 0.00 -0.01 1.57 0.04 -1.72 -1.55 116.94 115.63 1xqf h PHE 315 Ca 0.08 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.61 1xqf h PHE 315 Cb 0.26 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.42 1xqf h PHE 315 CO 0.01 0.00 -0.98 0.78 -0.60 0.00 0.00 178.31 177.51 1xqf h GLY 316 N 2.27 0.65 0.35 -1.45 0.00 -1.10 -2.68 103.07 101.11 1xqf h GLY 316 Ca 0.00 -1.13 -0.00 0.00 0.00 0.00 0.00 47.33 46.20 1xqf h GLY 316 CO 0.00 1.00 -0.03 -2.08 0.00 0.00 0.00 176.54 175.43 1xqf h VAL 317 N 0.34 1.22 -0.32 4.60 2.07 -1.21 -2.30 116.25 120.65 1xqf h VAL 317 Ca -0.10 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.04 1xqf h VAL 317 Cb 1.63 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 33.44 1xqf h VAL 317 CO 0.18 0.32 0.13 0.45 0.02 0.00 0.00 177.57 178.68 1xqf h HIS 318 N -0.75 0.43 0.06 1.57 -0.00 -1.43 -0.76 115.15 114.27 1xqf h HIS 318 Ca -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1xqf h HIS 318 Cb 0.60 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 27.87 1xqf h HIS 318 CO 0.12 0.34 -0.03 0.78 -0.00 0.00 0.00 177.93 179.15 1xqf h GLY 319 N 0.58 -0.09 0.83 2.45 0.00 -1.57 -2.49 103.07 102.79 1xqf h GLY 319 Ca 0.11 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 1xqf h GLY 319 CO -0.01 -0.03 0.03 -2.08 0.00 0.00 0.00 176.54 174.45 1xqf h VAL 320 N -0.95 1.18 0.00 4.60 2.07 -1.44 -2.39 116.25 119.32 1xqf h VAL 320 Ca -0.01 -0.54 -0.09 0.00 0.82 0.00 0.00 66.70 66.89 1xqf h VAL 320 Cb 0.53 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1xqf h VAL 320 CO 0.01 0.16 -0.41 0.00 0.02 0.00 0.00 177.57 177.36 1xqf h GLY 322 N 1.44 0.32 0.94 0.00 0.00 -1.36 -1.64 103.07 102.76 1xqf h GLY 322 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1xqf h GLY 322 CO 0.05 0.18 0.12 -2.22 0.00 0.00 0.00 176.54 174.68 1xqf h ILE 323 N 0.11 1.13 -0.28 2.60 2.04 -1.27 -1.35 117.51 120.50 1xqf h ILE 323 Ca 0.06 -0.35 0.04 0.00 1.00 0.00 0.00 64.86 65.61 1xqf h ILE 323 Cb 0.26 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1xqf h ILE 323 CO 0.00 0.12 0.02 0.58 0.00 0.00 0.00 178.15 178.87 1xqf h VAL 324 N 0.26 0.82 -0.42 1.67 2.07 -1.40 -1.52 116.25 117.73 1xqf h VAL 324 Ca 0.08 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.59 1xqf h VAL 324 Cb 0.09 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1xqf h VAL 324 CO -0.01 0.02 0.22 1.23 0.02 0.00 0.00 177.57 179.05 1xqf h GLY 325 N 0.11 0.58 1.11 2.17 0.00 -1.18 -1.02 103.07 104.83 1xqf h GLY 325 Ca 0.13 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.24 1xqf h GLY 325 CO -0.21 0.12 0.19 0.00 0.00 0.00 0.00 176.54 176.65 1xqf h ILE 327 N 1.05 1.31 0.00 0.00 2.04 -1.12 -3.26 117.51 117.54 1xqf h ILE 327 Ca 0.22 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 1xqf h ILE 327 Cb 0.34 1.73 -0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1xqf h ILE 327 CO -0.00 0.32 -0.06 0.24 0.00 0.00 0.00 178.15 178.65 1xqf h MET 328 N -0.04 0.00 -0.55 2.37 2.86 -1.10 -2.10 114.93 116.38 1xqf h MET 328 Ca 0.03 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.60 1xqf h MET 328 Cb 0.53 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 1xqf h MET 328 CO 0.02 0.06 0.05 1.15 1.06 0.00 0.00 176.91 179.24 1xqf h THR 329 N 0.00 1.25 0.00 2.22 2.02 -1.39 -1.27 112.91 115.73 1xqf h THR 329 Ca -0.00 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 66.18 1xqf h THR 329 Cb 0.43 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1xqf h THR 329 CO 0.01 0.36 0.00 0.61 0.37 0.00 0.00 175.52 176.87 1xqf n GLY 330 N -0.64 -0.90 0.15 2.16 0.00 -0.79 -2.60 105.19 102.56 1xqf n GLY 330 Ca 0.03 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 1xqf n GLY 330 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xqf n ILE 331 N -1.37 1.48 1.59 -0.61 5.41 -1.00 -4.44 119.36 120.42 1xqf n ILE 331 Ca 0.06 -0.14 0.15 0.00 1.00 0.00 0.00 62.75 63.82 1xqf n ILE 331 Cb 0.15 -2.07 0.70 0.00 -0.71 0.00 0.00 39.64 37.70 1xqf n ILE 331 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1xqf n PHE 332 N -4.30 0.00 0.32 1.39 3.72 -0.51 -2.68 117.46 115.39 1xqf n PHE 332 Ca -0.35 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.20 1xqf n PHE 332 Cb 0.70 -0.11 0.58 0.00 -0.94 0.00 0.00 39.48 39.72 1xqf n PHE 332 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xqf h ALA 333 N 3.84 1.00 -2.45 4.37 0.00 -1.71 -3.30 119.26 121.01 1xqf h ALA 333 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1xqf h ALA 333 Cb 0.28 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.14 1xqf h ALA 333 CO 0.00 0.00 0.79 0.00 0.00 0.00 0.00 179.25 180.04 1xqf n ALA 334 N -2.00 1.76 -0.33 0.00 0.00 -1.09 -0.30 120.51 118.55 1xqf n ALA 334 Ca 0.01 0.41 0.12 0.00 0.00 0.00 0.00 53.44 53.99 1xqf n ALA 334 Cb 0.31 -2.38 0.33 0.00 0.00 0.00 0.00 19.45 17.71 1xqf n ALA 334 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1xqf h SER 335 N 5.30 0.76 -0.30 0.00 0.02 -1.89 -1.29 113.55 116.15 1xqf h SER 335 Ca -0.45 0.07 0.09 0.00 -0.84 0.00 0.00 61.79 60.66 1xqf h SER 335 Cb 1.25 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 1xqf h SER 335 CO 0.84 0.33 0.23 0.28 -1.14 0.00 0.00 176.83 177.37 1xqf h SER 336 N 0.78 0.00 -0.46 3.07 0.02 -1.90 -2.11 113.55 112.95 1xqf h SER 336 Ca 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.48 1xqf h SER 336 Cb 0.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1xqf h SER 336 CO -0.30 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.57 1xqf n LEU 337 N -4.30 3.87 0.00 5.07 4.77 -0.55 -4.95 117.00 120.91 1xqf n LEU 337 Ca 0.04 -2.40 0.00 0.00 -0.03 0.00 0.00 56.01 53.62 1xqf n LEU 337 Cb 0.40 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1xqf n LEU 337 CO 0.34 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.77 1xqf n GLY 338 N 0.56 0.75 3.95 -0.72 0.00 -0.79 -4.59 105.19 104.34 1xqf n GLY 338 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 1xqf n GLY 338 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xqf s GLY 339 N -1.62 1.78 0.42 -0.02 0.00 -0.83 -2.98 107.32 104.08 1xqf s GLY 339 Ca 0.00 -1.36 0.29 0.00 0.00 0.00 0.00 44.72 43.65 1xqf s GLY 339 CO 0.00 -0.63 1.83 -0.39 0.00 0.00 0.00 173.10 173.91 1xqf h VAL 340 N -1.37 0.00 0.00 1.40 -1.51 -1.17 -3.38 116.25 110.22 1xqf h VAL 340 Ca -0.42 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 64.52 1xqf h VAL 340 Cb 1.24 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 31.86 1xqf h VAL 340 CO 0.38 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.33 1xqf n GLY 341 N 0.35 2.43 3.77 5.19 0.00 0.59 -4.86 105.19 112.66 1xqf n GLY 341 Ca 0.02 -1.68 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 1xqf n GLY 341 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xqf s PHE 342 N -1.67 2.60 1.01 1.61 0.08 -1.26 -4.88 117.98 115.48 1xqf s PHE 342 Ca 0.00 1.48 -0.11 0.00 0.12 0.00 0.00 56.93 58.42 1xqf s PHE 342 Cb 0.00 -3.05 0.19 0.00 -0.57 0.00 0.00 43.02 39.59 1xqf s PHE 342 CO 0.00 -1.84 1.03 0.00 -0.10 0.00 0.00 175.22 174.32 1xqf n ALA 343 N -3.54 -1.68 -1.66 5.36 0.00 -1.26 -4.91 120.51 112.83 1xqf n ALA 343 Ca 0.08 -0.78 -0.46 0.00 0.00 0.00 0.00 53.44 52.29 1xqf n ALA 343 Cb 0.53 -2.10 -0.03 0.00 0.00 0.00 0.00 19.45 17.86 1xqf n ALA 343 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xqf n GLU 344 N -4.29 1.92 -1.20 0.00 1.02 -1.26 -2.57 120.64 114.27 1xqf n GLU 344 Ca 0.09 0.69 -0.07 0.00 -0.02 0.00 0.00 57.16 57.84 1xqf n GLU 344 Cb 0.53 -2.35 -0.03 0.00 -0.02 0.00 0.00 31.44 29.57 1xqf n GLU 344 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xqf n GLY 345 N 2.41 0.86 3.27 0.62 0.00 -1.26 -5.01 105.19 106.08 1xqf n GLY 345 Ca 0.13 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 1xqf n GLY 345 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xqf s VAL 346 N -2.09 3.30 0.71 1.61 1.01 -1.06 -5.11 120.40 118.76 1xqf s VAL 346 Ca 0.00 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 1xqf s VAL 346 Cb 0.00 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.77 1xqf s VAL 346 CO 0.00 0.25 1.10 0.42 0.00 0.00 0.00 175.10 176.86 1xqf s THR 347 N 1.42 3.47 0.31 3.92 -4.23 -1.26 -4.75 115.64 114.51 1xqf s THR 347 Ca 0.03 0.48 -0.00 0.00 -1.18 0.00 0.00 61.69 61.01 1xqf s THR 347 Cb -0.16 -3.46 0.27 0.00 1.34 0.00 0.00 72.50 70.49 1xqf s THR 347 CO -0.02 -0.62 1.95 -0.03 -0.54 0.00 0.00 174.62 175.36 1xqf h MET 348 N -0.68 1.03 -0.54 3.99 4.05 -1.99 -2.15 114.93 118.64 1xqf h MET 348 Ca -0.45 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 58.89 1xqf h MET 348 Cb 1.25 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 31.80 1xqf h MET 348 CO 0.64 0.68 0.27 0.78 0.23 0.00 0.00 176.91 179.51 1xqf h GLY 349 N 1.06 0.82 0.88 1.39 0.00 -1.94 -1.43 103.07 103.85 1xqf h GLY 349 Ca 0.32 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 1xqf h GLY 349 CO -0.09 0.38 0.06 0.84 0.00 0.00 0.00 176.54 177.73 1xqf h HIS 350 N 0.72 0.47 -0.64 5.60 6.17 -1.88 -2.30 115.15 123.30 1xqf h HIS 350 Ca 0.19 -0.06 -0.01 0.00 0.71 0.00 0.00 60.37 61.20 1xqf h HIS 350 Cb 0.09 -0.13 -0.03 0.00 2.52 0.00 0.00 27.41 29.86 1xqf h HIS 350 CO -0.01 0.53 0.37 0.37 0.71 0.00 0.00 177.93 179.90 1xqf h GLN 351 N 0.28 0.88 -0.56 5.26 5.75 -1.34 -2.40 115.11 122.99 1xqf h GLN 351 Ca 0.09 -0.09 0.03 0.00 -0.15 0.00 0.00 58.65 58.53 1xqf h GLN 351 Cb 0.30 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 28.63 1xqf h GLN 351 CO 0.00 0.64 0.33 -0.07 -2.65 0.00 0.00 178.83 177.08 1xqf h LEU 352 N 0.87 0.52 -0.88 -2.39 3.38 -1.15 -0.57 115.31 115.10 1xqf h LEU 352 Ca 0.23 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.22 1xqf h LEU 352 Cb -0.00 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1xqf h LEU 352 CO -0.04 0.36 0.58 0.25 0.09 0.00 0.00 178.44 179.68 1xqf h LEU 353 N 0.65 1.01 -0.54 1.67 5.85 -1.23 -2.09 115.31 120.63 1xqf h LEU 353 Ca 0.23 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.83 1xqf h LEU 353 Cb 0.05 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1xqf h LEU 353 CO -0.11 0.74 -0.02 0.58 -0.34 0.00 0.00 178.44 179.29 1xqf h VAL 354 N 1.19 1.27 -0.43 1.05 2.07 -0.94 -2.03 116.25 118.43 1xqf h VAL 354 Ca 0.32 -1.14 0.04 0.00 0.82 0.00 0.00 66.70 66.75 1xqf h VAL 354 Cb -0.14 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1xqf h VAL 354 CO -0.07 0.41 0.19 1.56 0.02 0.00 0.00 177.57 179.67 1xqf h GLN 355 N 0.85 0.37 -0.68 1.57 1.08 -0.93 -1.92 115.11 115.46 1xqf h GLN 355 Ca 0.15 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 1xqf h GLN 355 Cb 0.56 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.87 1xqf h GLN 355 CO 0.03 0.24 0.39 -0.07 -0.95 0.00 0.00 178.83 178.47 1xqf h LEU 356 N 0.38 0.83 -0.92 1.46 3.38 -1.19 -2.04 115.31 117.20 1xqf h LEU 356 Ca 0.19 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1xqf h LEU 356 Cb 0.14 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1xqf h LEU 356 CO -0.17 0.67 0.09 -0.33 0.09 0.00 0.00 178.44 178.79 1xqf h GLU 357 N 0.92 0.89 -0.41 1.13 5.08 -1.26 -1.69 114.58 119.23 1xqf h GLU 357 Ca 0.24 -0.21 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 1xqf h GLU 357 Cb 0.01 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1xqf h GLU 357 CO -0.04 0.82 -0.23 0.77 -1.00 0.00 0.00 179.01 179.33 1xqf h SER 358 N 0.84 0.86 -0.16 1.42 0.02 -1.01 -1.64 113.55 113.88 1xqf h SER 358 Ca 0.18 -0.32 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 1xqf h SER 358 Cb 0.37 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1xqf h SER 358 CO 0.01 1.06 0.02 0.40 -1.14 0.00 0.00 176.83 177.17 1xqf h ILE 359 N 0.73 1.23 -0.51 3.27 2.04 -1.29 -2.46 117.51 120.53 1xqf h ILE 359 Ca 0.10 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 65.24 1xqf h ILE 359 Cb 0.77 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 1xqf h ILE 359 CO 0.06 0.22 0.30 0.00 0.00 0.00 0.00 178.15 178.74 1xqf h ALA 360 N 0.80 0.65 -0.41 1.87 0.00 -1.22 -1.96 119.26 118.99 1xqf h ALA 360 Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1xqf h ALA 360 Cb 0.32 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1xqf h ALA 360 CO 0.00 0.00 0.17 0.82 0.00 0.00 0.00 179.25 180.25 1xqf h ILE 361 N 0.60 1.19 -0.41 0.00 2.04 -1.32 -2.61 117.51 117.00 1xqf h ILE 361 Ca 0.21 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.49 1xqf h ILE 361 Cb 0.03 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1xqf h ILE 361 CO -0.10 0.22 0.25 0.74 0.00 0.00 0.00 178.15 179.26 1xqf h THR 362 N 0.52 1.05 0.06 -0.27 2.02 -1.26 -1.16 112.91 113.88 1xqf h THR 362 Ca 0.14 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1xqf h THR 362 Cb 0.18 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1xqf h THR 362 CO -0.01 0.09 -0.06 0.40 0.37 0.00 0.00 175.52 176.31 1xqf h ILE 363 N 0.50 0.86 -0.32 3.11 2.04 -1.24 -1.46 117.51 121.00 1xqf h ILE 363 Ca 0.16 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.92 1xqf h ILE 363 Cb -0.00 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1xqf h ILE 363 CO -0.07 0.00 -0.20 0.58 0.00 0.00 0.00 178.15 178.46 1xqf h VAL 364 N -0.14 1.29 0.33 1.67 2.07 -1.41 -1.47 116.25 118.60 1xqf h VAL 364 Ca 0.00 -1.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 1xqf h VAL 364 Cb 0.13 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1xqf h VAL 364 CO -0.02 0.43 -0.16 -0.25 0.02 0.00 0.00 177.57 177.59 1xqf h TRP 365 N 0.46 -0.42 -0.79 1.57 2.91 -1.20 -1.58 115.95 116.91 1xqf h TRP 365 Ca 0.07 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.06 1xqf h TRP 365 Cb 0.74 0.14 -0.04 0.00 -0.51 0.00 0.00 29.16 29.49 1xqf h TRP 365 CO 0.06 -0.23 0.42 1.03 -1.03 0.00 0.00 178.44 178.69 1xqf h SER 366 N -0.49 0.99 -0.42 2.65 0.87 -1.32 -2.58 113.55 113.25 1xqf h SER 366 Ca -0.05 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1xqf h SER 366 Cb 0.37 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1xqf h SER 366 CO 0.08 0.81 0.27 1.23 -0.53 0.00 0.00 176.83 178.69 1xqf h GLY 367 N 1.09 0.59 0.81 5.77 0.00 -1.17 -1.39 103.07 108.78 1xqf h GLY 367 Ca 0.27 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 1xqf h GLY 367 CO -0.04 0.22 0.03 -2.08 0.00 0.00 0.00 176.54 174.66 1xqf h VAL 368 N 0.56 1.21 -0.41 4.60 2.07 -1.24 -2.62 116.25 120.42 1xqf h VAL 368 Ca 0.15 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 1xqf h VAL 368 Cb -0.05 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1xqf h VAL 368 CO -0.03 0.20 0.16 0.58 0.02 0.00 0.00 177.57 178.49 1xqf h VAL 369 N 0.01 1.20 -0.21 2.57 2.07 -1.41 -2.34 116.25 118.14 1xqf h VAL 369 Ca 0.04 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 66.96 1xqf h VAL 369 Cb 0.28 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1xqf h VAL 369 CO 0.00 0.23 0.05 0.00 0.02 0.00 0.00 177.57 177.87 1xqf h ALA 370 N 1.01 0.22 -0.59 1.67 0.00 -1.31 -0.69 119.26 119.56 1xqf h ALA 370 Ca 0.14 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.19 1xqf h ALA 370 Cb 0.20 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 1xqf h ALA 370 CO -0.01 -0.37 0.13 0.35 0.00 0.00 0.00 179.25 179.35 1xqf h PHE 371 N 0.14 0.21 -0.78 0.00 3.57 -1.32 -0.25 116.94 118.53 1xqf h PHE 371 Ca 0.09 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1xqf h PHE 371 Cb 0.08 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 1xqf h PHE 371 CO -0.13 -0.02 0.37 0.82 -2.23 0.00 0.00 178.31 177.12 1xqf h ILE 372 N 0.27 1.25 -0.03 1.41 2.04 -1.00 -1.90 117.51 119.54 1xqf h ILE 372 Ca 0.31 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1xqf h ILE 372 Cb 0.45 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1xqf h ILE 372 CO -0.39 0.29 0.00 1.23 0.00 0.00 0.00 178.15 179.28 1xqf h GLY 373 N 1.10 0.06 1.22 5.37 0.00 -0.26 -1.37 103.07 109.19 1xqf h GLY 373 Ca 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 1xqf h GLY 373 CO -0.03 0.04 0.45 -0.97 0.00 0.00 0.00 176.54 176.03 1xqf h TYR 374 N -0.23 1.00 -0.30 5.60 0.05 -1.07 -2.36 116.97 119.66 1xqf h TYR 374 Ca 0.01 -0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.61 1xqf h TYR 374 Cb 0.32 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 37.73 1xqf h TYR 374 CO 0.03 0.67 -0.51 0.87 -1.05 0.00 0.00 178.16 178.17 1xqf h LYS 375 N 1.05 0.88 -0.72 4.88 1.79 -1.30 -2.08 116.57 121.06 1xqf h LYS 375 Ca 0.27 -0.54 -0.06 0.00 -2.18 0.00 0.00 60.65 58.14 1xqf h LYS 375 Cb -0.03 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.65 1xqf h LYS 375 CO -0.05 1.18 0.22 1.25 -1.08 0.00 0.00 179.45 180.97 1xqf h LEU 376 N 0.67 1.06 -0.53 2.94 5.85 -1.12 -1.94 115.31 122.24 1xqf h LEU 376 Ca 0.02 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 1xqf h LEU 376 Cb 1.12 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 1xqf h LEU 376 CO 0.12 1.00 0.23 0.00 -0.34 0.00 0.00 178.44 179.44 1xqf h ALA 377 N 1.11 0.69 -0.08 1.25 0.00 -1.42 -2.55 119.26 118.25 1xqf h ALA 377 Ca 0.23 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1xqf h ALA 377 Cb 0.32 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1xqf h ALA 377 CO -0.01 0.28 -0.15 0.22 0.00 0.00 0.00 179.25 179.59 1xqf h ASP 378 N 0.71 0.12 1.59 0.00 3.58 -1.13 0.35 116.42 121.63 1xqf h ASP 378 Ca 0.18 -0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.53 1xqf h ASP 378 Cb 0.17 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 1xqf h ASP 378 CO -0.02 0.29 -0.42 -0.07 -2.88 0.00 0.00 179.24 176.14 1xqf h LEU 379 N 0.12 0.00 0.01 2.28 3.38 -1.22 -3.06 115.31 116.81 1xqf h LEU 379 Ca 0.02 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.63 1xqf h LEU 379 Cb 0.35 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1xqf h LEU 379 CO 0.02 0.35 -2.01 0.41 0.09 0.00 0.00 178.44 177.30 1xqf n THR 380 N -3.16 1.54 0.00 0.22 -1.04 -0.91 -4.81 114.28 106.13 1xqf n THR 380 Ca 0.02 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1xqf n THR 380 Cb 0.68 -1.91 0.00 0.00 -1.82 0.00 0.00 70.33 67.28 1xqf n THR 380 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1xqf n VAL 381 N -4.22 0.00 0.00 12.58 0.24 0.06 -5.11 118.33 121.89 1xqf n VAL 381 Ca -0.44 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 61.61 1xqf n VAL 381 Cb 0.82 0.82 0.00 0.00 -1.47 0.00 0.00 33.84 34.01 1xqf n VAL 381 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xqf n GLY 382 N 0.95 -2.25 0.06 7.63 0.00 -0.93 -4.99 105.19 105.67 1xqf n GLY 382 Ca 0.00 -1.16 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 1xqf n GLY 382 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xqf h LEU 383 N 0.00 0.00-10.01 0.99 3.38 -1.79 -3.43 115.31 104.44 1xqf h LEU 383 Ca 0.00 -0.65 -0.52 0.00 0.09 0.00 0.00 57.88 56.80 1xqf h LEU 383 Cb 0.00 0.00 0.09 0.00 0.09 0.00 0.00 40.66 40.84 1xqf h LEU 383 CO 0.00 0.84 0.54 0.00 0.09 0.00 0.00 178.44 179.91 1xqf s ARG 384 N -2.00 3.56 0.14 1.13 1.70 -1.26 -1.42 118.95 120.81 1xqf s ARG 384 Ca -0.13 1.98 -0.31 0.00 -0.47 0.00 0.00 55.73 56.80 1xqf s ARG 384 Cb -0.02 -2.39 -0.10 0.00 -0.57 0.00 0.00 34.95 31.87 1xqf s ARG 384 CO 0.45 -0.77 1.67 0.54 -1.08 0.00 0.00 175.30 176.11 1xqf s VAL 385 N -1.43 2.59 -2.00 4.99 0.11 -1.19 -4.49 120.40 118.98 1xqf s VAL 385 Ca 0.66 0.30 0.01 0.00 -2.93 0.00 0.00 61.98 60.02 1xqf s VAL 385 Cb -0.34 -3.19 0.03 0.00 -1.53 0.00 0.00 36.38 31.35 1xqf s VAL 385 CO 0.41 0.01 0.56 -0.81 -3.33 0.00 0.00 175.10 171.94